data_2i2y_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 2i2y _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 ' 2' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 . . . . . 0 CA--C 1.546 0.8 0 CA-C-O 120.957 0.408 . . . . 0.0 111.929 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.403 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 96.9 m-85 -130.5 158.27 40.38 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 127.4 2.28 . . . . 0.0 109.089 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -112.26 162.65 15.27 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.158 1.383 . . . . 0.0 111.672 -176.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -146.8 136.77 23.36 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 126.278 1.831 . . . . 0.0 110.86 174.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mp -116.05 131.76 67.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 126.5 1.92 . . . . 0.0 110.746 173.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.8 mp -107.34 55.71 0.65 Allowed 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 128.183 2.593 . . . . 0.0 110.918 -176.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 . . . . . 0 CA--C 1.555 1.167 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 -178.94 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.467 0.409 0 N-CA-C 117.283 2.327 . . . . 0.0 117.283 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -170.11 -155.49 10.25 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 117.484 1.754 . . . . 0.0 117.484 169.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -156.44 158.78 37.88 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 126.481 1.912 . . . . 0.0 112.133 177.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.0 t -156.73 -175.49 5.46 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.908 1.683 . . . . 0.0 110.092 177.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 61.9 p -142.76 170.72 15.17 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 125.804 1.642 . . . . 0.0 110.739 176.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.8 t -157.23 152.73 26.52 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.814 0.846 . . . . 0.0 111.584 172.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.7 tp10 -76.29 122.21 24.08 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 107.0 -1.481 . . . . 0.0 107.0 166.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.22 178.13 7.41 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.461 1.504 . . . . 0.0 112.02 174.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.9 p -84.44 -39.91 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 O-C-N 120.989 -1.07 . . . . 0.0 110.807 169.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.403 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 3.2 p30 178.19 -163.69 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 129.86 3.264 . . . . 0.0 108.054 -179.518 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.32 -27.19 0.97 Allowed 'General case' 0 CA--C 1.553 1.091 0 N-CA-C 114.093 1.145 . . . . 0.0 114.093 170.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.77 -5.41 20.52 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.688 1.595 . . . . 0.0 113.88 178.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.9 m -134.09 -35.38 0.95 Allowed 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 125.079 1.352 . . . . 0.0 112.277 173.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.26 -37.99 89.44 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.775 0.83 . . . . 0.0 110.861 175.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -74.63 4.9 5.43 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 178.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.44 18.53 3.97 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 120.298 -1.501 . . . . 0.0 111.788 174.462 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.7 t -119.59 -52.14 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 125.344 1.457 . . . . 0.0 110.01 177.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -61.4 -27.12 68.31 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 123.767 0.827 . . . . 0.0 113.171 176.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -55.76 -30.43 61.24 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.642 1.177 . . . . 0.0 112.975 175.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -81.16 -53.81 6.06 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.291 0.637 . . . . 0.0 109.932 177.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -59.92 -41.7 92.32 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.336 1.054 . . . . 0.0 112.372 -177.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.78 -49.45 77.67 Favored 'General case' 0 N--CA 1.452 -0.354 0 O-C-N 121.384 -0.823 . . . . 0.0 111.724 176.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -65.29 -22.24 66.82 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 174.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -77.44 -29.43 52.88 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.67 1.123 . . . . 0.0 112.626 174.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 -78.17 -41.57 34.28 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 168.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 125.67 -1.84 8.05 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 129.016 3.198 . . . . 0.0 114.556 171.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 41.3 t -73.61 146.0 10.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 CA-C-N 118.925 1.363 . . . . 0.0 110.865 176.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -161.61 53.71 0.25 Allowed 'General case' 0 CA--C 1.55 0.96 0 CA-C-O 121.78 0.8 . . . . 0.0 112.663 169.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -92.08 -137.72 7.9 Favored Glycine 0 CA--C 1.541 1.672 0 C-N-CA 125.627 1.584 . . . . 0.0 115.451 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -69.86 93.68 0.77 Allowed 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.724 1.21 . . . . 0.0 113.002 -172.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 84.5 m95 -64.74 113.74 3.98 Favored 'General case' 0 C--O 1.235 0.315 0 O-C-N 120.158 -1.589 . . . . 0.0 110.7 178.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.88 163.67 25.83 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 125.982 1.713 . . . . 0.0 111.27 -172.213 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -147.21 147.01 30.03 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.389 1.475 . . . . 0.0 110.161 175.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -112.25 121.21 44.27 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 124.288 1.035 . . . . 0.0 108.93 171.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.7 0.59 42.68 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 115.343 1.609 . . . . 0.0 115.343 -173.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -111.98 -29.2 7.72 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.183 1.393 . . . . 0.0 112.607 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.2 t -113.65 3.35 15.6 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.74 0.816 . . . . 0.0 112.488 173.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? 54.65 40.43 31.88 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 126.076 1.75 . . . . 0.0 112.527 169.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.8 m -121.77 114.42 21.07 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 125.718 1.607 . . . . 0.0 109.167 -170.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -68.03 162.41 24.58 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 122.249 1.024 . . . . 0.0 111.271 169.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.7 m -145.67 157.77 43.92 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 124.713 1.205 . . . . 0.0 108.043 169.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.1 p -147.67 72.83 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 126.273 1.829 . . . . 0.0 109.486 177.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.9 m . . . . . 0 N--CA 1.473 0.699 0 O-C-N 121.305 -0.872 . . . . 0.0 110.202 179.331 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.1 mppt? . . . . . 0 N--CA 1.475 0.803 0 CA-C-O 121.965 0.888 . . . . 0.0 111.805 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 14.4 t -138.68 158.28 30.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 126.685 1.994 . . . . 0.0 109.706 -169.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -122.88 144.61 49.1 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 128.123 2.569 . . . . 0.0 110.225 178.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.0 p -143.61 134.14 21.78 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-O 121.373 0.606 . . . . 0.0 110.739 169.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.944 0 N-CA-C 115.47 0.948 . . . . 0.0 115.47 173.648 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.253 19.0 pttp . . . . . 0 N--CA 1.483 1.191 0 N-CA-C 119.085 2.995 . . . . 0.0 119.085 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 22.1 m -50.09 -47.65 53.64 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 126.555 1.942 . . . . 0.0 113.946 -169.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.72 -57.62 9.4 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 -178.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.8 pp -64.51 -32.36 73.96 Favored 'General case' 0 C--O 1.22 -0.476 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.335 -176.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -64.73 -48.63 73.93 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 125.521 1.529 . . . . 0.0 111.284 178.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.44 -31.96 70.6 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 118.536 -0.745 . . . . 0.0 112.378 172.246 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.09 -46.85 87.24 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 119.187 0.903 . . . . 0.0 111.464 175.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -62.95 -63.24 1.26 Allowed 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 125.038 1.335 . . . . 0.0 111.411 174.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -58.08 -20.25 41.58 Favored Glycine 0 CA--C 1.546 2.024 0 N-CA-C 115.917 1.127 . . . . 0.0 115.917 -179.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -57.69 -50.75 72.16 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 119.295 1.547 . . . . 0.0 112.976 169.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -63.17 -37.99 89.4 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 118.822 0.737 . . . . 0.0 110.07 174.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 174.74 160.84 23.49 Favored Glycine 0 N--CA 1.473 1.147 0 CA-C-O 118.577 -1.124 . . . . 0.0 114.625 168.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -54.22 127.67 26.77 Favored 'Trans proline' 0 CA--C 1.536 0.61 0 CA-C-N 121.133 2.466 . . . . 0.0 117.113 -169.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 21.3 mt -67.4 169.21 9.37 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.785 2.034 . . . . 0.0 113.243 169.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -123.78 -37.55 2.6 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.756 2.022 . . . . 0.0 111.25 169.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 9.0 t -154.6 157.26 37.95 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.73 1.212 . . . . 0.0 111.594 174.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 78.6 t -144.71 142.22 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 125.614 1.566 . . . . 0.0 108.829 176.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 81.5 t90 -138.77 145.01 39.67 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 125.703 1.601 . . . . 0.0 110.365 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 14.2 m -141.06 153.02 20.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 C-N-CA 124.416 1.087 . . . . 0.0 108.361 170.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.552 1.057 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -169.949 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.544 0.713 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -164.25 175.24 10.29 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.341 1.056 . . . . 0.0 112.801 -167.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -135.01 164.14 28.3 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-O 122.074 0.94 . . . . 0.0 112.835 175.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -153.91 155.45 6.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 124.502 1.121 . . . . 0.0 110.785 -169.198 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -143.28 128.57 18.83 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.569 1.548 . . . . 0.0 109.498 169.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -97.58 173.56 7.08 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.212 1.005 . . . . 0.0 112.72 176.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -90.12 -55.0 3.78 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 120.977 -1.077 . . . . 0.0 112.491 176.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -87.5 130.72 46.31 Favored Pre-proline 0 CA--C 1.547 0.845 0 C-N-CA 124.4 1.08 . . . . 0.0 109.026 170.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -61.72 -22.16 73.77 Favored 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 121.889 1.726 . . . . 0.0 112.56 175.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.9 -27.04 62.58 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.597 1.159 . . . . 0.0 113.009 171.469 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -66.88 -46.9 73.52 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 119.683 1.129 . . . . 0.0 110.315 169.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.37 -44.96 89.07 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 122.752 0.421 . . . . 0.0 111.945 172.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.28 -49.39 77.22 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 118.645 0.657 . . . . 0.0 112.603 178.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.22 -42.91 99.42 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 118.78 0.718 . . . . 0.0 111.642 177.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.88 -55.33 34.31 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.254 0.622 . . . . 0.0 110.416 177.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 41.5 t -52.49 -41.02 35.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 124.733 1.213 . . . . 0.0 111.898 175.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.68 -20.56 61.92 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 114.968 1.47 . . . . 0.0 114.968 -179.358 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -127.75 16.2 6.92 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 115.343 1.608 . . . . 0.0 115.343 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 24.0 mt -112.09 -8.11 14.04 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.176 1.791 . . . . 0.0 113.94 172.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -93.17 151.53 19.78 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 117.19 2.292 . . . . 0.0 117.19 -168.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 57.56 22.09 44.57 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 127.077 2.275 . . . . 0.0 118.406 168.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 19.8 mtm180 -128.42 -72.81 0.6 Allowed 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.357 1.579 . . . . 0.0 114.724 -169.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 5.6 m 165.19 145.53 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 130.301 3.44 . . . . 0.0 107.853 -169.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -144.19 -65.03 0.36 Allowed 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 118.18 0.446 . . . . 0.0 110.81 168.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 18.7 t -84.72 -46.42 11.46 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 118.253 0.479 . . . . 0.0 110.657 170.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 170.29 48.05 0.03 OUTLIER Glycine 0 CA--C 1.532 1.151 0 N-CA-C 115.745 1.058 . . . . 0.0 115.745 173.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 5.9 t -153.42 -133.78 0.05 OUTLIER 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 124.197 0.999 . . . . 0.0 111.505 -174.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 18.5 mtm-85 -126.13 -3.86 6.89 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 115.939 1.829 . . . . 0.0 115.939 -170.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 6.1 m 34.13 80.63 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 130.555 3.542 . . . . 0.0 117.145 172.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -76.37 123.82 26.57 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 105.963 -1.866 . . . . 0.0 105.963 166.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 96.7 t -137.43 122.8 25.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 -171.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -142.75 167.78 21.27 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.464 0.705 . . . . 0.0 110.706 -169.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 4.2 pp -69.95 147.8 49.74 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 120.302 -1.499 . . . . 0.0 108.551 167.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.5 t . . . . . 0 N--CA 1.469 0.513 0 O-C-N 121.777 -0.577 . . . . 0.0 111.046 -179.777 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 . . . . . 0 CA--C 1.544 0.727 0 CA-C-O 121.014 0.435 . . . . 0.0 111.647 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.422 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 89.8 m-85 -128.7 156.57 43.28 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 127.347 2.259 . . . . 0.0 108.759 -178.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -110.7 161.55 15.65 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.903 1.281 . . . . 0.0 111.414 -178.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -146.03 135.45 23.01 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 126.097 1.759 . . . . 0.0 110.572 175.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mp -111.62 129.04 67.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 126.218 1.807 . . . . 0.0 110.458 172.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.4 mp -102.63 65.06 0.9 Allowed 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 128.005 2.522 . . . . 0.0 109.651 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 . . . . . 0 CA--C 1.555 1.147 0 C-N-CA 124.108 0.963 . . . . 0.0 112.46 172.088 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.469 0.515 0 N-CA-C 116.851 2.167 . . . . 0.0 116.851 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -168.4 -157.54 11.4 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 117.7 1.84 . . . . 0.0 117.7 169.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -157.84 157.88 34.1 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.448 1.899 . . . . 0.0 112.075 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.3 t -156.8 -174.77 5.08 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.921 1.688 . . . . 0.0 110.1 177.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 64.0 p -141.53 170.19 16.18 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 125.84 1.656 . . . . 0.0 110.899 176.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.3 t -156.45 154.82 31.03 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.833 0.853 . . . . 0.0 111.432 171.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -80.66 117.08 21.04 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 168.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -134.82 177.13 8.03 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.627 1.571 . . . . 0.0 112.645 179.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.46 ' H ' ' HB ' ' A' ' 25' ' ' THR . 52.3 t -85.95 -39.07 13.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 O-C-N 121.294 -0.879 . . . . 0.0 111.741 170.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.422 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 2.9 t70 175.95 -156.05 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 131.14 3.776 . . . . 0.0 106.679 172.26 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.19 -21.97 2.34 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 120.402 1.455 . . . . 0.0 114.325 169.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.39 -7.81 21.63 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.788 1.235 . . . . 0.0 113.589 173.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.46 ' HB ' ' H ' ' A' ' 21' ' ' VAL . 22.1 m -138.02 -35.72 0.62 Allowed 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.579 1.552 . . . . 0.0 112.62 176.313 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.24 -39.54 92.85 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.362 1.065 . . . . 0.0 110.511 175.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -76.87 8.82 3.36 Favored 'General case' 0 CA--C 1.553 1.068 0 N-CA-C 114.435 1.272 . . . . 0.0 114.435 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.33 17.63 4.46 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.966 1.706 . . . . 0.0 112.482 170.124 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.8 t -118.36 -48.4 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 124.752 1.221 . . . . 0.0 109.418 172.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -63.22 -29.23 70.61 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 178.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -61.66 -31.24 71.34 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.521 0.728 . . . . 0.0 112.675 176.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -84.74 -44.93 12.9 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.55 1.14 . . . . 0.0 110.159 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -63.02 -42.86 99.9 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.63 0.772 . . . . 0.0 111.989 177.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.76 -47.45 80.95 Favored 'General case' 0 N--CA 1.453 -0.302 0 O-C-N 121.318 -0.864 . . . . 0.0 112.053 -178.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -64.28 -23.13 67.19 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 174.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -79.04 -28.76 43.26 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.248 0.931 . . . . 0.0 113.135 175.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -77.97 -40.97 37.62 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 167.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 125.64 -0.41 7.95 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 128.439 2.923 . . . . 0.0 114.988 169.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.4 t -77.96 141.9 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-N 118.799 1.299 . . . . 0.0 109.908 175.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -161.61 60.7 0.26 Allowed 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 122.378 1.085 . . . . 0.0 113.046 169.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.425 ' H ' HG23 ' A' ' 54' ' ' VAL . . . -92.04 -147.65 20.99 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 125.163 1.363 . . . . 0.0 115.54 177.445 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -65.47 117.48 8.03 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.695 0.798 . . . . 0.0 111.011 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 77.8 m95 -81.64 130.63 35.12 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.916 0.865 . . . . 0.0 110.592 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -136.03 159.18 42.49 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 126.594 1.958 . . . . 0.0 110.105 -173.474 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -156.29 165.95 34.86 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.389 1.476 . . . . 0.0 110.701 -178.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -141.97 165.56 27.12 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.623 1.169 . . . . 0.0 112.18 176.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.45 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -125.18 0.31 7.8 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 115.122 1.527 . . . . 0.0 115.122 -179.592 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -94.01 -31.21 14.33 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.011 1.325 . . . . 0.0 111.367 170.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.1 t -129.73 2.43 4.94 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.611 1.164 . . . . 0.0 113.728 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.45 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 3.0 mmpt? 51.57 41.05 28.35 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 125.044 1.338 . . . . 0.0 113.612 168.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 45.2 m -118.02 111.6 19.16 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 125.815 1.646 . . . . 0.0 109.119 -170.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -67.42 162.97 21.89 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 122.196 0.998 . . . . 0.0 111.316 169.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.2 m -146.59 153.24 40.11 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 124.822 1.249 . . . . 0.0 108.139 169.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.425 HG23 ' H ' ' A' ' 41' ' ' GLY . 13.1 p -138.24 107.58 4.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 126.1 1.76 . . . . 0.0 108.403 171.559 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 87.0 m . . . . . 0 N--CA 1.477 0.89 0 C-N-CA 123.776 0.83 . . . . 0.0 110.689 -173.195 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 48.1 mttp . . . . . 0 N--CA 1.472 0.648 0 CA-C-O 121.264 0.554 . . . . 0.0 111.569 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -133.51 147.14 31.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 C-N-CA 125.874 1.67 . . . . 0.0 109.858 179.213 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -87.18 149.86 24.34 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 127.372 2.269 . . . . 0.0 109.796 177.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.1 p -148.79 115.58 0.86 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.312 0 CA-C-N 118.84 0.745 . . . . 0.0 110.731 169.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.142 0 N-CA-C 117.72 1.848 . . . . 0.0 117.72 -171.507 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.5 ptmm? . . . . . 0 N--CA 1.473 0.712 0 N-CA-C 116.208 1.929 . . . . 0.0 116.208 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 5.5 m -58.0 -52.17 66.61 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 120.629 1.559 . . . . 0.0 111.175 175.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.87 -49.5 77.21 Favored 'General case' 0 C--N 1.339 0.135 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 176.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 59.8 mt -54.39 -55.77 25.3 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-O 121.737 0.779 . . . . 0.0 111.219 -175.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -60.32 -42.57 95.87 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 125.277 1.431 . . . . 0.0 112.01 -174.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.39 -37.05 66.11 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 119.192 0.906 . . . . 0.0 113.231 171.247 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.97 -46.33 85.1 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 119.242 0.928 . . . . 0.0 110.774 -176.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -63.68 -62.96 1.32 Allowed 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 125.477 1.511 . . . . 0.0 112.084 173.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.82 -19.8 56.18 Favored Glycine 0 CA--C 1.542 1.765 0 N-CA-C 115.289 0.876 . . . . 0.0 115.289 -175.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -54.98 -49.63 70.97 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.119 1.368 . . . . 0.0 112.406 168.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -71.01 -40.96 71.5 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.741 0.816 . . . . 0.0 111.183 178.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -173.72 161.69 32.29 Favored Glycine 0 N--CA 1.478 1.464 0 CA-C-O 118.8 -1.0 . . . . 0.0 114.279 169.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -64.25 140.71 72.17 Favored 'Trans proline' 0 CA--C 1.536 0.575 0 CA-C-N 120.81 2.305 . . . . 0.0 115.74 -168.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 15.7 mt -89.72 160.35 16.62 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 127.164 2.186 . . . . 0.0 113.21 -177.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -112.82 -37.66 4.78 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.928 1.691 . . . . 0.0 111.705 169.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 9.8 t -160.21 158.54 30.2 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.121 1.369 . . . . 0.0 112.107 172.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 58.7 t -141.88 143.84 26.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 125.988 1.715 . . . . 0.0 107.907 169.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 80.5 t90 -145.54 149.25 34.26 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 124.898 1.279 . . . . 0.0 111.004 -173.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 4.3 m -141.32 149.98 20.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.104 0.962 . . . . 0.0 109.035 173.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.514 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -169.356 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.547 0.852 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -163.24 -179.55 6.69 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 -166.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -144.49 166.34 25.42 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 1.4 p -151.17 155.54 7.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 126.247 1.819 . . . . 0.0 111.086 -176.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 68.2 tt0 -140.49 120.15 13.34 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.272 1.429 . . . . 0.0 108.8 168.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -88.19 171.49 10.18 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 123.788 0.835 . . . . 0.0 112.238 177.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -80.16 -20.5 44.73 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 170.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -144.71 127.8 8.51 Favored Pre-proline 0 CA--C 1.551 0.995 0 C-N-CA 124.006 0.923 . . . . 0.0 111.99 -169.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_exo -56.11 -34.06 91.82 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 123.82 3.014 . . . . 0.0 114.89 177.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 22.5 ttp-105 -58.09 -47.88 81.87 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 119.104 0.865 . . . . 0.0 110.524 175.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -76.22 -34.87 59.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.183 -174.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.15 -42.65 95.33 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 122.943 0.497 . . . . 0.0 111.552 169.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -68.21 -44.61 75.39 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.761 0.824 . . . . 0.0 112.456 179.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -68.73 -34.2 75.21 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.416 -0.803 . . . . 0.0 112.261 176.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.37 -53.39 57.27 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 118.487 -0.768 . . . . 0.0 110.423 169.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 12.4 t -49.13 -48.2 17.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 C-N-CA 124.794 1.238 . . . . 0.0 111.874 172.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 19.7 ttp85 -57.85 -29.16 64.76 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.933 1.693 . . . . 0.0 113.203 177.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -114.35 16.67 17.81 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.395 1.478 . . . . 0.0 113.296 179.3 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 56.5 mt -133.73 -28.6 1.4 Allowed 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.295 1.038 . . . . 0.0 113.678 -178.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -67.6 128.4 36.3 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 120.076 1.307 . . . . 0.0 111.938 173.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 72.83 -39.02 0.77 Allowed Glycine 0 CA--C 1.535 1.329 0 C-N-CA 127.015 2.245 . . . . 0.0 116.68 171.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.88 6.47 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 130.129 3.371 . . . . 0.0 118.368 -172.622 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 90.1 m 65.42 134.12 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 128.559 2.744 . . . . 0.0 114.708 -175.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 10.3 tp -164.66 144.51 7.39 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 130.438 3.495 . . . . 0.0 102.534 -179.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 34.6 m 60.93 -57.09 0.09 Allowed 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.18 1.392 . . . . 0.0 113.211 -169.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 158.76 33.82 0.02 OUTLIER Glycine 0 CA--C 1.532 1.15 0 N-CA-C 118.37 2.108 . . . . 0.0 118.37 167.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 4.2 t -146.74 -155.72 0.65 Allowed 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 119.206 1.503 . . . . 0.0 112.331 -177.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -100.54 94.2 6.01 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 106.474 -1.676 . . . . 0.0 106.474 172.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 2.0 t -68.32 136.84 25.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 C-N-CA 125.108 1.363 . . . . 0.0 107.772 -173.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -108.55 96.7 6.52 Favored 'General case' 0 CA--C 1.511 -0.538 0 C-N-CA 124.322 1.049 . . . . 0.0 108.429 172.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 17.7 t -115.07 108.45 25.43 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 N-CA-C 106.703 -1.591 . . . . 0.0 106.703 -173.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -141.11 145.87 36.35 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 122.069 -0.394 . . . . 0.0 111.476 -167.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -60.08 130.79 48.46 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 120.217 -1.552 . . . . 0.0 109.246 173.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 32.5 t . . . . . 0 CA--C 1.533 0.314 0 CA-C-O 121.398 0.618 . . . . 0.0 111.963 -169.863 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . 0.258 20.2 tt0 . . . . . 0 CA--C 1.543 0.708 0 N-CA-C 114.501 1.297 . . . . 0.0 114.501 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -129.37 151.94 49.47 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 126.814 2.046 . . . . 0.0 108.323 -177.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -106.66 163.73 12.66 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.995 1.318 . . . . 0.0 111.174 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 15.9 tp -142.77 140.58 31.45 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 126.824 2.05 . . . . 0.0 110.759 173.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.4 mp -119.15 111.84 35.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 126.408 1.883 . . . . 0.0 108.92 173.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 68.9 mt -82.31 66.59 7.97 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 126.67 1.988 . . . . 0.0 111.549 172.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 41.1 t30 . . . . . 0 CA--C 1.55 0.959 0 N-CA-C 115.263 1.579 . . . . 0.0 115.263 -178.618 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.468 0.437 0 N-CA-C 117.262 2.319 . . . . 0.0 117.262 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.89 -161.11 16.83 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 116.648 1.419 . . . . 0.0 116.648 169.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -143.15 163.5 32.72 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.1 0.96 . . . . 0.0 112.551 -170.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.7 t -159.33 -177.39 6.41 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.568 1.547 . . . . 0.0 110.541 169.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 77.1 p -141.95 170.45 15.7 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 126.098 1.759 . . . . 0.0 110.347 173.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.406 HG21 ' CG1' ' A' ' 29' ' ' VAL . 5.3 t -157.59 151.36 24.12 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.154 0.982 . . . . 0.0 110.655 176.522 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -81.1 123.03 28.06 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 107.061 -1.459 . . . . 0.0 107.061 167.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.8 173.53 11.44 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.245 1.418 . . . . 0.0 112.272 178.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 97.0 t -78.03 -47.23 25.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 O-C-N 121.995 -0.44 . . . . 0.0 110.379 169.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.5 t70 178.75 -156.75 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 130.413 3.485 . . . . 0.0 106.236 178.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.52 -19.86 1.64 Allowed 'General case' 0 CA--C 1.547 0.831 0 O-C-N 120.011 -1.681 . . . . 0.0 114.535 169.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.22 -10.4 31.47 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.252 1.021 . . . . 0.0 113.654 172.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 53.7 m -137.5 -36.01 0.65 Allowed 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 126.105 1.762 . . . . 0.0 112.236 178.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.18 -34.91 77.16 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.988 1.315 . . . . 0.0 111.09 176.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -78.03 6.65 7.44 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 177.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.68 18.27 3.31 Favored 'General case' 0 N--CA 1.466 0.357 0 O-C-N 120.503 -1.373 . . . . 0.0 112.202 175.577 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.406 ' CG1' HG21 ' A' ' 18' ' ' THR . 6.1 p -123.77 -40.73 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 124.532 1.133 . . . . 0.0 111.941 177.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -68.46 -27.5 66.22 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 123.887 0.875 . . . . 0.0 113.031 173.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -54.8 -29.01 53.49 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.394 1.478 . . . . 0.0 113.256 176.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -81.06 -53.12 6.69 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.503 0.721 . . . . 0.0 109.922 178.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -60.19 -42.48 95.17 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.26 1.024 . . . . 0.0 112.675 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.95 -52.03 67.19 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 123.803 0.841 . . . . 0.0 111.798 178.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -68.76 -17.64 64.07 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -85.02 -30.39 24.19 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.878 0.871 . . . . 0.0 112.828 175.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 56.4 m-80 -76.29 -38.34 56.25 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 168.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 123.88 -0.69 9.2 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 128.288 2.851 . . . . 0.0 115.126 169.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.3 t -75.16 147.13 8.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 CA-C-N 118.502 1.151 . . . . 0.0 110.599 175.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -164.3 73.42 0.26 Allowed 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 122.413 1.101 . . . . 0.0 111.935 168.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.454 ' H ' HG21 ' A' ' 54' ' ' VAL . . . -111.84 -140.36 8.07 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 125.218 1.389 . . . . 0.0 116.323 -177.265 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -73.93 90.11 1.92 Allowed 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.109 1.364 . . . . 0.0 112.166 -173.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 92.1 m95 -63.88 110.99 2.28 Favored 'General case' 0 C--O 1.235 0.295 0 O-C-N 120.767 -1.208 . . . . 0.0 109.875 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 60.4 m -132.56 163.09 29.64 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 127.851 2.461 . . . . 0.0 109.048 -168.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -157.59 167.41 30.22 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.113 1.365 . . . . 0.0 111.174 -169.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -139.89 163.82 31.62 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.879 1.272 . . . . 0.0 111.608 174.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.434 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -124.73 2.71 8.2 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 114.87 1.433 . . . . 0.0 114.87 -178.523 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -98.36 -31.14 12.18 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.378 1.471 . . . . 0.0 111.435 170.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.6 t -127.43 0.85 6.29 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.404 1.081 . . . . 0.0 113.744 178.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.434 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 2.9 mmpt? 52.29 42.4 30.9 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.035 1.334 . . . . 0.0 113.421 168.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.7 m -119.49 112.93 19.99 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 126.08 1.752 . . . . 0.0 109.164 -171.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -65.32 159.88 22.97 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.194 0.998 . . . . 0.0 111.487 169.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 36.3 m -146.49 150.72 36.13 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 125.508 1.523 . . . . 0.0 108.001 169.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.454 HG21 ' H ' ' A' ' 41' ' ' GLY . 11.1 p -142.47 79.18 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 125.336 1.454 . . . . 0.0 109.732 177.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.3 m . . . . . 0 N--CA 1.468 0.431 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.51 177.224 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 61.7 mttm . . . . . 0 N--CA 1.474 0.765 0 CA-C-O 121.419 0.628 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -139.72 146.79 24.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 125.171 1.388 . . . . 0.0 110.565 -179.411 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -102.57 150.56 23.29 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 126.947 2.099 . . . . 0.0 111.08 -173.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -147.0 125.98 4.3 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.193 0 O-C-N 122.203 -0.31 . . . . 0.0 110.301 169.543 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.412 ' HA2' ' HA ' ' A' ' 112' ' ' PHE . . . . . . . . 0 N--CA 1.469 0.9 0 N-CA-C 115.97 1.148 . . . . 0.0 115.97 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.5 ptmm? . . . . . 0 C--O 1.22 -0.456 0 N-CA-C 115.508 1.67 . . . . 0.0 115.508 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 21.4 m -46.34 -57.08 4.94 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 115.785 1.772 . . . . 0.0 115.785 -168.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -78.25 -40.86 35.9 Favored 'General case' 0 CA--C 1.531 0.224 0 O-C-N 121.066 -1.021 . . . . 0.0 111.512 -175.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.3 pp -63.77 -32.13 73.54 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.638 1.108 . . . . 0.0 111.847 176.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -62.6 -46.5 87.99 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 125.165 1.386 . . . . 0.0 111.588 174.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -34.84 78.79 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 119.259 0.936 . . . . 0.0 112.518 169.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.34 -48.07 81.46 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 119.306 0.957 . . . . 0.0 111.403 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.41 ' CE1' HD12 ' A' ' 130' ' ' LEU . 19.3 m-85 -64.02 -62.9 1.33 Allowed 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 125.299 1.439 . . . . 0.0 111.61 173.443 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -55.73 -22.7 34.12 Favored Glycine 0 CA--C 1.547 2.033 0 N-CA-C 115.781 1.072 . . . . 0.0 115.781 -178.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -55.44 -52.37 63.83 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.708 1.603 . . . . 0.0 112.992 169.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -68.64 -40.38 80.3 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.659 0.784 . . . . 0.0 111.198 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -170.22 162.94 36.24 Favored Glycine 0 N--CA 1.477 1.387 0 CA-C-O 118.659 -1.078 . . . . 0.0 113.382 169.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -70.63 134.61 26.53 Favored 'Trans proline' 0 CA--C 1.534 0.501 0 CA-C-N 121.143 2.471 . . . . 0.0 114.51 -169.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 22.8 mt -80.46 153.16 28.37 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.535 1.934 . . . . 0.0 112.985 176.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -94.68 -43.01 8.47 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 126.403 1.881 . . . . 0.0 110.384 168.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 10.7 t -158.24 157.24 32.21 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.157 0.983 . . . . 0.0 111.972 -178.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 98.0 t -142.58 136.94 28.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 126.078 1.751 . . . . 0.0 109.213 178.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 86.2 t90 -142.8 146.42 34.2 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 125.4 1.48 . . . . 0.0 111.674 -178.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.5 m -143.39 149.97 17.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 124.427 1.091 . . . . 0.0 108.101 169.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.653 0 O-C-N 121.66 -0.65 . . . . 0.0 112.507 -179.428 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.412 ' C ' ' CD1' ' A' ' 112' ' ' PHE . 0.0 OUTLIER . . . . . 0 CA--C 1.553 1.067 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -167.99 174.72 7.17 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 125.534 1.534 . . . . 0.0 111.656 -168.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -145.03 152.11 39.61 Favored 'General case' 0 N--CA 1.483 1.177 0 O-C-N 121.366 -0.834 . . . . 0.0 113.228 173.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 34.9 m -141.97 170.46 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 124.265 1.026 . . . . 0.0 113.183 175.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 60.7 tt0 -143.44 132.97 23.55 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.577 1.151 . . . . 0.0 109.267 169.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -104.05 155.68 18.49 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.48 1.512 . . . . 0.0 111.982 178.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -72.88 -20.17 61.15 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 175.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -139.19 131.44 15.37 Favored Pre-proline 0 CA--C 1.549 0.905 0 C-N-CA 124.438 1.095 . . . . 0.0 111.771 -172.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -78.53 -23.96 8.01 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 123.019 2.479 . . . . 0.0 114.863 -173.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -76.83 -33.76 57.92 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 120.683 1.583 . . . . 0.0 111.446 173.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -70.13 -39.12 75.6 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.515 0.726 . . . . 0.0 110.424 172.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.19 -41.68 93.43 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 122.841 0.457 . . . . 0.0 111.695 169.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.85 -43.69 92.21 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 119.338 0.972 . . . . 0.0 112.827 176.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -59.29 -44.16 92.53 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.784 -0.573 . . . . 0.0 111.266 172.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.62 -53.59 52.32 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.378 0.671 . . . . 0.0 110.099 178.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 41.0 t -49.03 -45.45 16.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 125.437 1.495 . . . . 0.0 111.714 174.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.71 -29.35 56.21 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 120.121 1.328 . . . . 0.0 114.449 -178.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -93.05 0.3 57.3 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 119.421 1.01 . . . . 0.0 112.895 176.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.41 HD12 ' CE1' ' A' ' 94' ' ' PHE . 89.3 mt -117.28 -29.56 5.84 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 126.133 1.773 . . . . 0.0 113.076 177.231 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -70.13 119.17 13.93 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.648 1.113 . . . . 0.0 112.209 175.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 77.5 41.09 21.33 Favored Glycine 0 CA--C 1.533 1.161 0 N-CA-C 115.422 0.929 . . . . 0.0 115.422 169.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.22 10.81 1.01 Allowed 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 118.639 2.829 . . . . 0.0 118.639 -168.642 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 90.3 m 65.41 129.9 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 127.243 2.217 . . . . 0.0 114.166 -178.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 6.1 tp -153.91 2.34 0.25 Allowed 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 113.399 0.889 . . . . 0.0 113.399 -176.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 34.9 t -158.08 -49.59 0.06 Allowed 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 127.994 2.517 . . . . 0.0 106.662 173.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 164.04 41.96 0.02 OUTLIER Glycine 0 CA--C 1.531 1.072 0 N-CA-C 116.408 1.323 . . . . 0.0 116.408 168.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 2.4 t -154.41 -160.64 1.1 Allowed 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 124.808 1.243 . . . . 0.0 111.002 -175.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.81 8.73 40.02 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.735 -1.228 . . . . 0.0 114.196 -170.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 3.5 t 32.77 67.55 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 128.059 2.544 . . . . 0.0 112.144 169.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.24 111.08 16.28 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 121.232 -0.918 . . . . 0.0 109.329 -178.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 78.3 t -124.4 129.67 73.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 124.773 1.229 . . . . 0.0 109.767 -168.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -145.77 165.91 27.44 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.201 0.6 . . . . 0.0 111.684 -172.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -75.44 140.86 43.15 Favored 'General case' 0 CA--C 1.547 0.849 0 O-C-N 120.793 -1.192 . . . . 0.0 108.534 169.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 7.7 m . . . . . 0 N--CA 1.473 0.687 0 CA-C-N 118.966 0.803 . . . . 0.0 112.477 -177.123 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 . . . . . 0 CA--C 1.541 0.633 0 CA-C-O 121.268 0.556 . . . . 0.0 112.356 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.469 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 96.1 m-85 -127.86 150.98 49.61 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 127.204 2.202 . . . . 0.0 108.969 -177.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -106.07 164.43 11.99 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.754 1.221 . . . . 0.0 111.469 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -147.61 137.23 22.67 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 127.309 2.244 . . . . 0.0 110.489 177.42 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.6 mp -116.44 112.42 39.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 126.557 1.943 . . . . 0.0 110.612 172.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 85.8 mt -80.17 70.86 6.88 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.632 1.973 . . . . 0.0 110.679 171.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 . . . . . 0 CA--C 1.561 1.379 0 C-N-CA 127.153 2.181 . . . . 0.0 114.92 179.578 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.469 0.484 0 N-CA-C 116.974 2.213 . . . . 0.0 116.974 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -159.9 -165.37 16.68 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 115.947 1.139 . . . . 0.0 115.947 171.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -155.34 168.2 27.86 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.881 1.672 . . . . 0.0 111.194 178.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.5 t -162.05 -174.21 4.02 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.135 1.774 . . . . 0.0 109.698 171.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.4 p -138.72 172.66 12.54 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 125.836 1.654 . . . . 0.0 110.325 171.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.0 t -155.58 161.66 40.81 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.038 0.935 . . . . 0.0 110.611 170.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -91.64 120.31 32.3 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.943 0.897 . . . . 0.0 108.83 169.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -143.33 175.97 9.51 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.322 1.849 . . . . 0.0 112.22 -173.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.9 p -80.13 -42.27 21.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 O-C-N 121.104 -0.997 . . . . 0.0 110.853 169.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.469 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 4.0 t70 174.08 -159.34 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 131.226 3.81 . . . . 0.0 107.018 -178.381 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.06 -25.02 1.81 Allowed 'General case' 0 CA--C 1.545 0.754 0 O-C-N 120.456 -1.403 . . . . 0.0 114.232 171.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.03 1.65 3.33 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.524 1.13 . . . . 0.0 113.695 174.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.8 m -143.07 -36.79 0.37 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.563 1.545 . . . . 0.0 111.976 171.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.67 -38.71 92.16 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.786 1.234 . . . . 0.0 110.845 175.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -74.09 2.53 8.69 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 114.476 1.287 . . . . 0.0 114.476 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.99 17.0 5.12 Favored 'General case' 0 N--CA 1.464 0.261 0 O-C-N 120.416 -1.428 . . . . 0.0 111.722 174.525 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.9 t -118.37 -51.37 4.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 125.19 1.396 . . . . 0.0 110.182 178.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -62.91 -26.1 68.63 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 178.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -55.0 -32.3 61.69 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.836 1.254 . . . . 0.0 112.484 175.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -79.04 -50.91 10.32 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.227 0.611 . . . . 0.0 110.712 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -60.01 -41.26 91.77 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 124.313 1.045 . . . . 0.0 112.399 177.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.01 -48.73 80.53 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.513 0.725 . . . . 0.0 111.64 177.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -67.22 -23.05 65.69 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 177.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -79.34 -31.51 43.05 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 174.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -78.18 -32.49 50.14 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 168.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 110.34 3.7 29.15 Favored Glycine 0 CA--C 1.534 1.246 0 C-N-CA 128.819 3.104 . . . . 0.0 114.537 172.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 47.5 t -79.24 145.9 8.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 124.125 0.97 . . . . 0.0 110.839 175.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -163.1 51.78 0.17 Allowed 'General case' 0 CA--C 1.551 1.0 0 CA-C-O 122.64 1.21 . . . . 0.0 112.738 169.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.18 -149.2 4.8 Favored Glycine 0 CA--C 1.539 1.546 0 C-N-CA 125.911 1.719 . . . . 0.0 116.219 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -71.96 95.13 1.53 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.405 1.082 . . . . 0.0 111.78 -178.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 82.4 m95 -60.75 128.14 35.1 Favored 'General case' 0 C--O 1.233 0.193 0 O-C-N 120.992 -1.067 . . . . 0.0 110.206 178.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.8 161.89 36.13 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 126.007 1.723 . . . . 0.0 110.032 -170.298 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -151.54 167.39 28.21 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.064 1.346 . . . . 0.0 110.29 178.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -139.68 128.25 23.02 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 125.056 1.343 . . . . 0.0 108.416 171.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.484 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 5.9 m-20 -87.8 -2.22 58.47 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 115.087 1.514 . . . . 0.0 115.087 -174.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -106.71 -30.67 8.82 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.406 1.482 . . . . 0.0 112.358 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.2 t -111.74 2.44 17.18 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.031 0.932 . . . . 0.0 112.679 172.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.484 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 4.4 mmpt? 51.43 40.49 26.77 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 126.043 1.737 . . . . 0.0 112.817 169.337 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 52.0 m -123.92 111.08 15.62 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.012 1.325 . . . . 0.0 109.293 -170.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -66.17 162.62 19.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 122.767 1.27 . . . . 0.0 111.652 170.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 29.9 m -147.73 160.48 42.66 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 125.404 1.482 . . . . 0.0 107.432 169.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.9 p -147.01 85.04 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 124.652 1.181 . . . . 0.0 109.112 173.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 96.9 m . . . . . 0 N--CA 1.466 0.358 0 CA-C-O 122.464 1.126 . . . . 0.0 111.358 -171.701 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt . . . . . 0 N--CA 1.47 0.547 0 CA-C-O 121.642 0.734 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 90.5 t -51.17 129.78 10.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 C-N-CA 125.377 1.471 . . . . 0.0 110.049 172.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -89.52 152.63 21.33 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 124.097 0.959 . . . . 0.0 109.366 171.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -147.9 141.34 19.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.78 0.8 . . . . 0.0 109.864 169.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.871 0 N-CA-C 110.689 -0.965 . . . . 0.0 110.689 175.541 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.2 ptmm? . . . . . 0 C--O 1.22 -0.453 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 42.7 m -37.68 -67.42 0.19 Allowed 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 126.234 1.813 . . . . 0.0 115.0 -169.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.79 -55.79 20.43 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.732 0.813 . . . . 0.0 109.617 -175.123 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.1 pp -64.36 -33.12 75.11 Favored 'General case' 0 C--O 1.22 -0.48 0 O-C-N 123.437 0.461 . . . . 0.0 111.504 -172.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -63.3 -49.93 72.06 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 125.271 1.428 . . . . 0.0 110.804 178.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.98 -34.69 78.31 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 118.89 -1.124 . . . . 0.0 112.296 170.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.67 -38.36 89.08 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.706 0.802 . . . . 0.0 112.598 -177.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -74.07 -61.04 1.99 Allowed 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 124.807 1.243 . . . . 0.0 110.73 175.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.27 -19.82 48.01 Favored Glycine 0 CA--C 1.545 1.944 0 N-CA-C 115.466 0.946 . . . . 0.0 115.466 -178.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -54.31 -45.77 72.66 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.805 1.642 . . . . 0.0 113.006 168.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -71.12 -42.48 69.19 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 118.527 0.603 . . . . 0.0 110.416 174.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -179.88 160.54 25.7 Favored Glycine 0 N--CA 1.475 1.265 0 CA-C-O 118.728 -1.04 . . . . 0.0 114.667 169.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.31 125.89 19.89 Favored 'Trans proline' 0 N--CA 1.46 -0.482 0 CA-C-N 120.73 2.265 . . . . 0.0 116.166 -169.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 16.3 mt -66.69 142.12 57.53 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 113.243 -1.799 . . . . 0.0 111.207 169.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? -91.53 -36.53 13.66 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.583 1.153 . . . . 0.0 110.876 169.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 28.1 m -150.56 152.12 33.64 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.84 1.256 . . . . 0.0 111.493 174.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 71.0 t -139.13 128.79 30.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 125.629 1.572 . . . . 0.0 107.219 169.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 79.1 t90 -139.99 143.94 36.73 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 124.872 1.269 . . . . 0.0 110.375 177.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 1.3 m -138.69 151.96 24.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 O-C-N 121.223 -0.923 . . . . 0.0 109.163 169.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.954 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -170.04 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 5.5 p90 . . . . . 0 CA--C 1.55 0.948 0 CA-C-O 122.315 1.055 . . . . 0.0 113.794 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -149.12 175.83 11.01 Favored 'General case' 0 CA--C 1.558 1.252 0 C-N-CA 130.319 3.448 . . . . 0.0 110.389 177.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -147.4 149.12 32.12 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.899 1.28 . . . . 0.0 111.755 173.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 13.5 m -140.3 173.1 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 CA-C-O 122.345 1.069 . . . . 0.0 113.137 173.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 -146.66 145.82 30.17 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 127.305 2.242 . . . . 0.0 107.101 176.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -122.54 149.3 44.11 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.223 1.009 . . . . 0.0 111.167 -175.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -85.22 -3.84 58.95 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -176.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -144.92 126.1 7.67 Favored Pre-proline 0 CA--C 1.548 0.901 0 C-N-CA 124.681 1.192 . . . . 0.0 110.764 171.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -68.51 -23.81 36.9 Favored 'Trans proline' 0 CA--C 1.538 0.68 0 C-N-CA 123.383 2.722 . . . . 0.0 113.982 -176.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 22.2 ttp-105 -59.84 -50.31 74.28 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 120.021 1.282 . . . . 0.0 109.947 170.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -74.59 -33.2 62.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.048 -175.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.61 -46.69 86.5 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.51 0.724 . . . . 0.0 110.99 169.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.34 -45.69 79.36 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.336 0.654 . . . . 0.0 111.576 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.21 -32.67 73.05 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 118.938 0.79 . . . . 0.0 112.549 178.463 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.81 -54.75 38.04 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 121.787 -0.571 . . . . 0.0 110.105 169.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 46.6 t -52.78 -40.83 36.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.684 1.193 . . . . 0.0 112.077 174.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 23.8 ttp180 -59.25 -34.73 72.58 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 126.699 2.0 . . . . 0.0 112.762 177.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -118.85 12.82 13.03 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 124.817 1.247 . . . . 0.0 113.961 -170.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 33.7 mt -120.6 -22.35 6.41 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 114.896 1.443 . . . . 0.0 114.896 -178.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -78.17 145.15 35.78 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 120.173 1.351 . . . . 0.0 113.972 -177.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 60.14 -35.56 0.04 OUTLIER Glycine 0 CA--C 1.526 0.739 1 C-N-CA 130.857 4.075 . . . . 0.0 122.513 168.14 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 34.7 ptt180 -71.4 -37.46 71.52 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 -168.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.8 m 154.33 143.41 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 129.973 3.309 . . . . 0.0 109.947 -178.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 46.7 tp -140.25 -61.76 0.51 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.673 1.189 . . . . 0.0 108.095 167.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 91.9 m -87.64 -23.73 24.15 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 169.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 152.24 0.25 0.25 Allowed Glycine 0 CA--C 1.541 1.665 0 N-CA-C 117.686 1.834 . . . . 0.0 117.686 175.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 10.5 t -152.89 -160.85 1.19 Allowed 'General case' 0 CA--C 1.554 1.118 0 CA-C-N 119.437 1.618 . . . . 0.0 110.936 -176.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -63.6 79.38 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 127.039 2.136 . . . . 0.0 113.037 -176.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 2.1 p -67.15 127.37 28.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 126.883 2.073 . . . . 0.0 107.497 169.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 56.8 mtt85 -99.2 140.61 33.11 Favored 'General case' 0 CA--C 1.513 -0.463 0 O-C-N 121.433 -0.792 . . . . 0.0 109.027 170.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 69.8 t -145.31 118.23 2.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 169.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -139.3 -160.16 1.03 Allowed 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.869 1.268 . . . . 0.0 108.764 -176.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -151.72 145.69 25.21 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 119.778 -1.826 . . . . 0.0 114.911 169.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 6.6 t . . . . . 0 CA--C 1.552 1.045 0 C-N-CA 131.434 3.893 . . . . 0.0 119.156 168.779 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 . . . . . 0 CA--C 1.545 0.769 0 CA-C-O 120.969 0.414 . . . . 0.0 111.399 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.456 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 80.5 m-85 -126.02 154.63 42.7 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 127.209 2.203 . . . . 0.0 108.472 -179.616 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -106.67 163.74 12.66 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.596 1.158 . . . . 0.0 111.167 178.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.4 tp -143.96 139.19 28.96 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 127.114 2.166 . . . . 0.0 109.663 172.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.6 mp -117.37 110.13 30.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 125.71 1.604 . . . . 0.0 108.725 173.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 54.1 mt -79.54 73.26 6.22 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.304 1.042 . . . . 0.0 109.234 169.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 . . . . . 0 CA--C 1.56 1.346 0 C-N-CA 125.917 1.687 . . . . 0.0 113.432 173.134 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.91 1 N-CA-C 122.129 4.122 . . . . 0.0 122.129 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.83 -163.06 21.09 Favored Glycine 0 CA--C 1.533 1.203 0 N-CA-C 116.456 1.342 . . . . 0.0 116.456 169.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -160.24 162.71 33.76 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 126.536 1.934 . . . . 0.0 111.994 178.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.8 t -158.72 -174.43 4.77 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.56 1.944 . . . . 0.0 110.443 174.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.7 p -142.07 172.71 12.32 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.65 1.58 . . . . 0.0 110.926 173.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.0 t -160.99 151.02 17.46 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.75 0.82 . . . . 0.0 111.612 173.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.8 tp10 -75.27 121.87 22.83 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 106.674 -1.602 . . . . 0.0 106.674 166.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -138.59 176.12 8.97 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.854 1.662 . . . . 0.0 111.996 176.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.3 p -85.5 -32.53 7.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 O-C-N 121.375 -0.828 . . . . 0.0 112.496 169.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.456 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 1.6 t70 169.04 -159.0 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.051 1 C-N-CA 131.823 4.049 . . . . 0.0 107.657 176.439 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.97 -22.92 1.73 Allowed 'General case' 0 CA--C 1.547 0.839 0 O-C-N 120.599 -1.313 . . . . 0.0 114.064 169.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.84 -5.36 16.2 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.549 1.14 . . . . 0.0 113.729 174.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.5 m -136.6 -36.47 0.7 Allowed 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.754 1.621 . . . . 0.0 112.36 173.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.49 -38.43 90.98 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.866 1.267 . . . . 0.0 110.902 176.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -74.38 3.64 7.12 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 178.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.407 ' HE3' HG22 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -133.04 18.44 4.11 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 120.307 -1.496 . . . . 0.0 111.828 174.912 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.407 HG22 ' HE3' ' A' ' 28' ' ' LYS . 3.9 t -120.34 -51.39 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 125.202 1.401 . . . . 0.0 110.039 178.021 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -61.81 -27.67 68.93 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 177.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -54.53 -30.56 54.1 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.239 1.416 . . . . 0.0 113.057 176.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -80.61 -50.47 9.93 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.552 0.741 . . . . 0.0 110.582 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -62.18 -42.04 98.9 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 124.261 1.024 . . . . 0.0 112.531 178.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.15 -49.57 76.52 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 123.802 0.841 . . . . 0.0 112.021 178.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -69.95 -17.79 63.33 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 178.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -82.49 -30.87 29.61 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 119.161 0.891 . . . . 0.0 113.159 173.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -78.42 -33.15 48.81 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 168.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.11 5.35 23.4 Favored Glycine 0 CA--C 1.533 1.217 0 C-N-CA 128.388 2.899 . . . . 0.0 114.774 170.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.5 t -78.77 146.64 7.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 124.035 0.934 . . . . 0.0 111.216 175.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -163.27 52.66 0.17 Allowed 'General case' 0 CA--C 1.548 0.895 0 CA-C-O 122.39 1.091 . . . . 0.0 112.032 169.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.64 -148.53 4.84 Favored Glycine 0 CA--C 1.541 1.664 0 C-N-CA 125.812 1.672 . . . . 0.0 115.568 177.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -69.11 88.64 0.42 Allowed 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.353 1.861 . . . . 0.0 112.613 176.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 80.8 m95 -57.08 122.79 13.2 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 124.246 1.018 . . . . 0.0 110.138 175.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.07 164.08 28.45 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 126.651 1.98 . . . . 0.0 110.563 -170.117 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -151.91 156.95 41.12 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.949 1.3 . . . . 0.0 110.392 176.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -129.12 122.57 30.16 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 125.412 1.485 . . . . 0.0 107.934 171.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.429 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.7 OUTLIER -84.31 -8.4 59.02 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 -173.838 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -99.64 -29.07 12.88 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.257 1.423 . . . . 0.0 112.022 -177.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.0 t -112.97 2.86 15.94 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.419 0.688 . . . . 0.0 112.794 171.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.429 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 4.3 mmpt? 54.36 40.2 31.56 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.048 1.739 . . . . 0.0 112.431 169.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 58.1 m -123.46 108.07 12.27 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 124.914 1.285 . . . . 0.0 109.719 -169.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -62.92 161.51 12.77 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 122.507 1.146 . . . . 0.0 110.762 168.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 21.5 m -147.01 161.21 41.27 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 169.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.7 p -149.68 77.84 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 C-N-CA 125.253 1.421 . . . . 0.0 108.61 172.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 91.1 m . . . . . 0 N--CA 1.466 0.352 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.861 -176.002 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 42.6 mttp . . . . . 0 N--CA 1.471 0.587 0 N-CA-C 110.442 -0.207 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 39.8 t -127.38 139.5 51.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.849 1.26 . . . . 0.0 110.044 -175.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -91.85 148.77 21.98 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 126.62 1.968 . . . . 0.0 110.352 170.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -152.45 150.12 13.11 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 CA-C-O 122.276 1.036 . . . . 0.0 113.393 172.41 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.332 0 C-N-CA 125.863 1.697 . . . . 0.0 111.193 168.476 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.0 ptmm? . . . . . 0 C--O 1.22 -0.491 0 N-CA-C 115.184 1.55 . . . . 0.0 115.184 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 83.0 m -46.72 -54.64 9.25 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 115.488 1.662 . . . . 0.0 115.488 -169.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -72.25 -48.93 38.96 Favored 'General case' 0 CA--C 1.531 0.242 0 O-C-N 121.344 -0.847 . . . . 0.0 111.69 -177.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.0 pp -62.22 -33.58 74.84 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.425 -0.797 . . . . 0.0 111.877 178.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -62.82 -45.69 91.46 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 125.578 1.551 . . . . 0.0 112.504 176.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.08 -41.81 94.68 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 119.527 1.058 . . . . 0.0 111.061 170.252 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.99 -43.31 99.04 Favored 'General case' 0 C--O 1.223 -0.334 0 C-N-CA 123.713 0.805 . . . . 0.0 111.705 -176.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.475 ' CD2' HG22 ' A' ' 115' ' ' VAL . 13.8 m-85 -68.28 -63.97 0.95 Allowed 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 125.643 1.577 . . . . 0.0 112.051 173.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.93 -18.43 47.15 Favored Glycine 0 CA--C 1.545 1.945 0 N-CA-C 115.248 0.859 . . . . 0.0 115.248 -174.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -54.85 -51.8 64.79 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.276 1.831 . . . . 0.0 112.861 168.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -68.03 -41.05 82.72 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.376 0.671 . . . . 0.0 111.052 177.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -170.75 156.88 27.54 Favored Glycine 0 N--CA 1.473 1.126 0 CA-C-O 118.374 -1.237 . . . . 0.0 113.338 170.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -63.05 146.49 94.59 Favored 'Trans proline' 0 CA--C 1.536 0.603 0 CA-C-N 121.134 2.467 . . . . 0.0 113.632 -169.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 14.9 mt -92.09 164.62 13.53 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.432 1.893 . . . . 0.0 112.056 -177.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 30.5 mtm105 -127.01 -21.26 4.01 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.924 1.29 . . . . 0.0 113.773 169.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 16.2 m -154.36 148.42 25.76 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.398 1.479 . . . . 0.0 110.792 169.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 17.5 t -144.23 130.76 16.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 125.365 1.466 . . . . 0.0 107.758 175.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 70.2 t90 -139.97 139.1 36.0 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 124.544 1.137 . . . . 0.0 110.297 -170.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.3 m -135.98 144.52 33.15 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 169.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.645 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 -168.445 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.554 1.134 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -165.58 176.78 7.84 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.85 1.26 . . . . 0.0 114.397 -166.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -147.54 170.79 16.7 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 177.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.475 HG22 ' CD2' ' A' ' 94' ' ' PHE . 1.5 t -158.05 164.95 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 C-N-CA 126.457 1.903 . . . . 0.0 112.676 -170.522 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -146.93 123.57 11.15 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 126.58 1.952 . . . . 0.0 108.872 165.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -89.64 169.63 11.16 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 113.966 1.098 . . . . 0.0 113.966 -176.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -57.78 -42.29 83.78 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 120.926 -1.108 . . . . 0.0 111.609 169.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -140.71 138.72 18.78 Favored Pre-proline 0 CA--C 1.55 0.966 0 C-N-CA 123.755 0.822 . . . . 0.0 112.959 -170.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_exo -53.31 -35.14 73.45 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 124.605 3.536 . . . . 0.0 115.467 175.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 3.2 ttp85 -62.82 -40.8 98.52 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 119.292 0.951 . . . . 0.0 111.228 175.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -74.3 -37.56 63.62 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 118.72 -0.657 . . . . 0.0 111.948 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.43 -45.77 90.61 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.029 0.831 . . . . 0.0 111.823 169.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.58 -45.33 87.46 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.388 0.675 . . . . 0.0 112.054 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -70.13 -33.51 71.92 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.191 0.996 . . . . 0.0 112.699 178.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.27 -54.02 39.86 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.309 0.644 . . . . 0.0 110.276 169.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 39.5 t -49.59 -48.51 20.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 124.449 1.1 . . . . 0.0 111.458 173.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 54.9 ttp85 -57.35 -40.01 77.14 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.749 1.62 . . . . 0.0 113.238 -179.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -102.96 -14.23 16.58 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -173.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 45.0 mt -86.79 -42.25 13.45 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 125.422 1.489 . . . . 0.0 112.986 172.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -61.6 137.42 58.24 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -169.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 63.23 6.57 14.49 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 125.603 1.573 . . . . 0.0 116.319 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 4.7 mmt-85 -84.23 -77.97 0.25 Allowed 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 119.723 1.761 . . . . 0.0 112.437 -176.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.7 m 164.79 145.41 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 130.096 3.359 . . . . 0.0 109.95 177.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 14.2 mt -158.2 145.34 17.92 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 128.925 2.89 . . . . 0.0 105.126 168.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . 0.259 34.2 m 65.53 -48.55 0.38 Allowed 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 126.62 1.968 . . . . 0.0 111.978 -168.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 126.27 56.78 0.15 Allowed Glycine 0 C--N 1.347 1.16 0 N-CA-C 118.989 2.355 . . . . 0.0 118.989 166.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 49.0 t -154.7 -50.02 0.09 Allowed 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.687 0.795 . . . . 0.0 110.222 169.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.8 163.98 31.77 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 127.566 2.346 . . . . 0.0 109.897 174.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 3.5 p -143.43 149.82 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 124.334 1.054 . . . . 0.0 111.264 171.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.67 134.29 52.93 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 126.909 2.084 . . . . 0.0 105.83 168.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 97.5 t -145.45 129.12 11.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 170.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -142.23 169.54 17.39 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 119.781 1.173 . . . . 0.0 111.772 -178.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -79.41 134.01 36.56 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 120.427 -1.42 . . . . 0.0 108.235 169.351 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 8.0 m . . . . . 0 N--CA 1.473 0.718 0 C-N-CA 124.01 0.924 . . . . 0.0 112.882 179.662 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 . . . . . 0 CA--C 1.541 0.633 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -122.46 150.59 42.29 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 127.198 2.199 . . . . 0.0 108.614 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -100.82 163.38 12.34 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.265 1.026 . . . . 0.0 111.275 177.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -144.6 137.39 26.69 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 127.218 2.207 . . . . 0.0 109.594 174.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.3 mp -115.44 111.49 35.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 126.22 1.808 . . . . 0.0 108.736 172.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 89.9 mt -79.52 74.5 6.16 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 124.507 1.123 . . . . 0.0 108.255 169.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 . . . . . 0 CA--C 1.556 1.199 0 C-N-CA 126.453 1.901 . . . . 0.0 113.702 174.667 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.469 0.524 0 N-CA-C 118.073 2.62 . . . . 0.0 118.073 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -157.25 -161.31 10.74 Favored Glycine 0 CA--C 1.532 1.099 0 N-CA-C 116.963 1.545 . . . . 0.0 116.963 169.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -150.05 165.56 32.37 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 125.261 1.425 . . . . 0.0 112.216 -174.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.8 t -162.15 -175.6 4.68 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 126.254 1.822 . . . . 0.0 110.614 169.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 74.6 p -140.08 169.45 17.67 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 126.005 1.722 . . . . 0.0 110.691 172.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.5 t -155.67 142.7 19.11 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.316 -0.865 . . . . 0.0 111.033 177.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -76.28 108.32 9.14 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 169.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.77 174.19 10.39 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.281 1.432 . . . . 0.0 113.569 -176.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 84.2 t -81.05 -47.3 20.24 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 O-C-N 121.288 -0.882 . . . . 0.0 110.548 169.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.8 t70 178.88 -156.92 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 130.626 3.57 . . . . 0.0 106.405 178.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.43 -19.78 1.53 Allowed 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 120.917 1.69 . . . . 0.0 114.658 170.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.0 -8.85 25.34 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.336 1.054 . . . . 0.0 113.488 172.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 43.2 m -138.99 -36.25 0.54 Allowed 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 126.425 1.89 . . . . 0.0 112.054 -179.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.7 -36.85 73.46 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.26 1.424 . . . . 0.0 111.076 177.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -76.1 4.76 7.86 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 120.522 -1.361 . . . . 0.0 114.422 179.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.63 20.29 3.33 Favored 'General case' 0 N--CA 1.463 0.223 0 O-C-N 120.441 -1.412 . . . . 0.0 111.811 176.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.3 p -125.12 -40.24 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 124.297 1.039 . . . . 0.0 112.216 176.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -68.85 -27.5 65.88 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 124.381 1.072 . . . . 0.0 113.053 173.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -55.41 -31.61 61.99 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.096 1.358 . . . . 0.0 113.068 176.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -79.42 -49.91 11.62 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.054 0.942 . . . . 0.0 110.671 179.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -61.54 -41.8 97.88 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.66 1.184 . . . . 0.0 112.552 178.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.07 -49.64 76.22 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 123.982 0.913 . . . . 0.0 111.645 177.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -67.99 -19.38 64.93 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 177.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -82.95 -29.57 28.98 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 119.176 0.898 . . . . 0.0 113.241 173.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 54.3 m-80 -78.94 -33.89 44.97 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 168.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.0 4.21 24.33 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 128.728 3.061 . . . . 0.0 114.54 171.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 39.3 t -80.5 145.58 8.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.011 0.924 . . . . 0.0 110.645 174.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -162.56 52.09 0.19 Allowed 'General case' 0 CA--C 1.552 1.044 0 CA-C-O 122.51 1.148 . . . . 0.0 112.425 169.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.88 -147.48 3.1 Favored Glycine 0 CA--C 1.545 1.916 0 C-N-CA 126.16 1.838 . . . . 0.0 116.282 177.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -72.63 98.5 2.36 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.739 1.215 . . . . 0.0 112.491 -178.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 85.1 m95 -64.04 121.06 13.23 Favored 'General case' 0 N--CA 1.466 0.332 0 O-C-N 120.294 -1.504 . . . . 0.0 110.337 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.33 161.66 31.85 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 126.858 2.063 . . . . 0.0 110.458 -172.255 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -156.59 165.84 35.13 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.617 1.167 . . . . 0.0 111.403 -178.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -137.56 158.9 43.39 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 126.218 1.807 . . . . 0.0 110.825 -178.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.412 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.3 OUTLIER -127.77 30.5 5.29 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 -179.225 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -131.51 -33.43 1.45 Allowed 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.558 1.943 . . . . 0.0 112.619 176.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.6 t -122.24 -3.47 8.98 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 127.595 2.358 . . . . 0.0 112.585 172.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.412 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 3.2 mmpt? 56.98 46.04 20.14 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.581 1.552 . . . . 0.0 112.688 168.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 53.4 m -120.64 110.13 16.05 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 125.803 1.641 . . . . 0.0 109.616 -170.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -64.44 161.99 16.02 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.083 0.953 . . . . 0.0 111.47 169.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 22.5 m -147.15 159.88 43.1 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 125.43 1.492 . . . . 0.0 108.278 170.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.6 p -149.84 82.64 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 C-N-CA 124.609 1.164 . . . . 0.0 111.189 174.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 33.1 m . . . . . 0 N--CA 1.473 0.677 0 C-N-CA 123.578 0.751 . . . . 0.0 112.075 -174.792 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.0 mtmm . . . . . 0 N--CA 1.474 0.77 0 CA-C-O 122.437 1.113 . . . . 0.0 112.544 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 6.7 t -133.44 157.34 42.46 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 C-N-CA 127.906 2.482 . . . . 0.0 109.501 -170.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -126.14 146.27 50.01 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 127.567 2.347 . . . . 0.0 110.405 -176.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.0 p -145.78 138.78 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-O 122.239 1.019 . . . . 0.0 111.561 169.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.705 0 C-N-CA 123.739 0.685 . . . . 0.0 112.65 169.936 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.279 9.7 ptmm? . . . . . 0 N--CA 1.483 1.222 0 N-CA-C 120.276 3.436 . . . . 0.0 120.276 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 82.8 m -49.67 -59.14 4.07 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 121.817 2.099 . . . . 0.0 113.935 -170.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.27 -55.52 17.95 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 -175.06 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.3 pp -63.22 -34.39 77.54 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 123.432 0.458 . . . . 0.0 112.052 -174.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -65.03 -47.86 75.91 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 124.053 0.941 . . . . 0.0 111.311 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.84 -32.07 70.28 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 119.585 -0.846 . . . . 0.0 112.391 172.467 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.51 -44.3 96.7 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.819 0.848 . . . . 0.0 111.466 178.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -64.14 -66.47 0.54 Allowed 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 125.404 1.482 . . . . 0.0 111.277 172.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -52.87 -24.47 19.61 Favored Glycine 0 CA--C 1.547 2.08 0 N-CA-C 116.363 1.305 . . . . 0.0 116.363 -178.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -55.47 -51.49 66.77 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 126.208 1.803 . . . . 0.0 113.614 169.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -68.47 -42.01 79.32 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.141 0.576 . . . . 0.0 110.959 178.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -167.25 161.01 34.84 Favored Glycine 0 N--CA 1.473 1.163 0 CA-C-O 118.38 -1.233 . . . . 0.0 113.633 175.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -71.18 131.82 19.94 Favored 'Trans proline' 0 CA--C 1.533 0.463 0 CA-C-N 121.666 2.733 . . . . 0.0 113.58 -170.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 21.9 mt -71.37 162.17 29.87 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.401 1.88 . . . . 0.0 113.115 175.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 28.6 ttp180 -121.67 -29.03 4.44 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 126.116 1.766 . . . . 0.0 111.95 169.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.9 m -157.71 156.86 32.42 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.966 1.306 . . . . 0.0 111.907 169.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 83.6 t -142.62 138.27 28.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 125.613 1.565 . . . . 0.0 108.515 172.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 91.3 t90 -137.01 149.72 47.66 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 125.336 1.454 . . . . 0.0 110.582 178.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 14.3 m -143.79 155.46 15.99 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 C-N-CA 125.124 1.37 . . . . 0.0 108.627 174.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.552 1.027 0 N-CA-C 115.73 1.752 . . . . 0.0 115.73 -169.926 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.549 0.923 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -165.87 176.47 7.86 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 124.789 1.235 . . . . 0.0 113.767 -168.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -137.33 167.52 21.43 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 124.023 0.929 . . . . 0.0 112.925 174.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -156.69 158.27 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 C-N-CA 124.952 1.301 . . . . 0.0 111.648 -168.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 65.2 tt0 -144.24 134.14 23.9 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.699 1.6 . . . . 0.0 108.689 168.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -104.21 162.92 12.78 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.903 0.881 . . . . 0.0 112.1 176.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -61.33 -27.12 68.27 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 177.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -140.77 128.02 12.1 Favored Pre-proline 0 CA--C 1.546 0.805 0 C-N-CA 126.302 1.841 . . . . 0.0 108.768 -177.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -49.67 -26.03 12.34 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 C-N-CA 123.891 3.061 . . . . 0.0 114.974 170.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -75.86 -30.25 58.83 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.469 1.107 . . . . 0.0 112.874 172.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -68.68 -44.99 72.85 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 119.518 1.054 . . . . 0.0 109.914 168.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.24 -43.82 83.3 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 171.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.04 -48.22 82.39 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.793 0.724 . . . . 0.0 112.173 -179.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.7 -30.69 63.01 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 119.483 1.038 . . . . 0.0 112.916 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.37 -50.75 70.33 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.772 -0.58 . . . . 0.0 111.221 170.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 53.2 t -55.12 -44.28 73.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 125.257 1.423 . . . . 0.0 110.868 171.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 44.0 ttp85 -60.61 -31.1 70.28 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.207 1.403 . . . . 0.0 113.188 -178.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -103.39 -22.14 13.71 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 115.097 1.517 . . . . 0.0 115.097 177.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 47.9 mt -81.68 -42.46 19.9 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 119.254 0.934 . . . . 0.0 112.619 175.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -62.2 116.92 5.39 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 -169.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 72.98 45.46 32.51 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 126.097 1.808 . . . . 0.0 115.044 176.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -118.45 -68.47 0.91 Allowed 'General case' 0 N--CA 1.488 1.439 0 CA-C-N 119.549 1.675 . . . . 0.0 114.475 -173.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 7.7 m 147.48 139.6 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.308 1 C-N-CA 132.53 4.332 . . . . 0.0 108.526 -175.342 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 2.1 tp -169.47 145.71 3.26 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 104.06 -2.571 . . . . 0.0 104.06 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 52.5 t 59.34 -62.88 0.04 OUTLIER 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 127.222 2.209 . . . . 0.0 111.703 -167.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 162.14 42.75 0.02 OUTLIER Glycine 0 CA--C 1.529 0.933 0 C-N-CA 125.333 1.444 . . . . 0.0 113.948 169.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 26.8 t -125.02 -104.0 0.36 Allowed 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.992 1.317 . . . . 0.0 109.834 -175.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -143.44 -23.3 0.6 Allowed 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 115.982 1.845 . . . . 0.0 115.982 169.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . 0.287 0.3 OUTLIER 55.74 111.66 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 C-N-CA 130.43 3.492 . . . . 0.0 111.909 -179.732 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.43 139.66 50.6 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 106.488 -1.671 . . . . 0.0 106.488 175.158 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 54.6 t -141.45 136.42 32.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 C-N-CA 122.912 0.485 . . . . 0.0 109.749 -168.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -139.79 176.92 8.33 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.092 0.957 . . . . 0.0 111.108 -178.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 58.9 mt -82.98 143.53 30.59 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 120.564 -1.335 . . . . 0.0 108.407 167.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 44.7 t . . . . . 0 N--CA 1.47 0.545 0 C-N-CA 124.193 0.997 . . . . 0.0 110.033 175.548 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 . . . . . 0 N--CA 1.471 0.606 0 CA-C-O 121.264 0.554 . . . . 0.0 111.543 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -125.82 156.39 39.62 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 127.183 2.193 . . . . 0.0 108.771 -177.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -111.26 161.94 15.5 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.787 1.235 . . . . 0.0 111.703 -177.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -147.44 135.79 21.64 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.338 1.855 . . . . 0.0 110.731 176.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mp -116.09 122.95 70.74 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 C-N-CA 126.232 1.813 . . . . 0.0 111.467 175.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.4 mp -97.99 58.22 1.34 Allowed 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 128.935 2.894 . . . . 0.0 110.877 -177.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 . . . . . 0 CA--C 1.545 0.768 0 O-C-N 120.59 -1.319 . . . . 0.0 112.715 -176.421 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.966 0 N-CA-C 118.344 2.72 . . . . 0.0 118.344 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -177.39 -161.64 26.22 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 117.204 1.642 . . . . 0.0 117.204 169.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -158.58 158.3 33.64 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 126.694 1.997 . . . . 0.0 111.787 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.8 t -154.79 -175.51 5.46 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.975 1.71 . . . . 0.0 109.833 176.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 74.7 p -141.49 173.57 11.37 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.406 1.482 . . . . 0.0 110.573 174.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.416 HG21 ' CG1' ' A' ' 29' ' ' VAL . 5.1 t -157.9 150.47 22.56 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 121.197 -0.939 . . . . 0.0 111.046 177.135 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -81.22 121.39 26.09 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 167.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -143.4 173.19 11.83 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 126.225 1.81 . . . . 0.0 112.802 -176.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.2 t -79.3 -46.29 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 O-C-N 120.932 -1.105 . . . . 0.0 110.087 169.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.9 t70 177.52 -158.19 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 129.898 3.279 . . . . 0.0 106.626 -176.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.56 -20.62 3.1 Favored 'General case' 0 CA--C 1.547 0.84 0 O-C-N 119.981 -1.7 . . . . 0.0 113.933 169.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.73 -6.22 10.98 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.991 1.316 . . . . 0.0 113.78 173.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.3 m -140.09 -37.76 0.47 Allowed 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 126.098 1.759 . . . . 0.0 112.357 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.01 -37.55 81.57 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.037 1.335 . . . . 0.0 110.695 176.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.95 5.63 4.94 Favored 'General case' 0 CA--C 1.552 1.048 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 178.236 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.51 11.62 4.1 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 125.724 1.61 . . . . 0.0 112.949 173.319 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.416 ' CG1' HG21 ' A' ' 18' ' ' THR . 4.9 p -118.48 -39.98 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 C-N-CA 124.254 1.021 . . . . 0.0 112.605 175.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -65.87 -31.08 71.82 Favored 'General case' 0 C--O 1.224 -0.245 0 C-N-CA 123.882 0.873 . . . . 0.0 112.225 172.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.413 ' HD3' ' CZ2' ' A' ' 43' ' ' TRP . 11.8 mmtt -56.98 -28.47 62.36 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.162 0.985 . . . . 0.0 112.937 177.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -81.15 -49.89 10.28 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 118.45 0.568 . . . . 0.0 111.497 176.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -61.22 -40.78 95.27 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.453 1.101 . . . . 0.0 111.683 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.75 -49.43 76.61 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 125.539 1.536 . . . . 0.0 111.903 175.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -63.25 -25.01 68.13 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 177.29 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -80.33 -28.39 38.17 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 177.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 51.2 m-80 -80.45 -32.07 37.32 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 168.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.32 -0.97 18.86 Favored Glycine 0 CA--C 1.532 1.131 0 C-N-CA 128.689 3.043 . . . . 0.0 114.448 170.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.1 p -74.06 155.56 6.62 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 CA-C-N 118.477 1.138 . . . . 0.0 112.034 178.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -164.03 30.31 0.08 Allowed 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 125.874 1.67 . . . . 0.0 110.314 169.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.23 -154.45 0.01 OUTLIER Glycine 0 CA--C 1.546 2.0 0 C-N-CA 128.696 3.046 . . . . 0.0 118.21 178.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -66.77 90.59 0.17 Allowed 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.95 1.3 . . . . 0.0 111.85 -178.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.413 ' CZ2' ' HD3' ' A' ' 31' ' ' LYS . 78.7 m95 -65.79 110.08 2.69 Favored 'General case' 0 C--O 1.236 0.342 0 O-C-N 120.354 -1.466 . . . . 0.0 110.215 -178.244 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.93 162.28 25.57 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 126.294 1.838 . . . . 0.0 110.905 -171.495 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -151.86 164.21 37.57 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.498 1.119 . . . . 0.0 111.735 177.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -140.5 156.49 46.32 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.843 2.057 . . . . 0.0 109.854 -174.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.417 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.3 OUTLIER -126.86 1.02 6.67 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 -178.21 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -87.69 -30.05 20.66 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.443 1.097 . . . . 0.0 110.283 169.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.5 -8.76 4.13 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 -176.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.417 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 1.3 mmpt? 59.93 48.01 9.29 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.852 1.661 . . . . 0.0 112.475 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 73.2 m -120.57 113.75 20.72 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.076 0.951 . . . . 0.0 111.513 -174.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -66.86 160.88 25.14 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-O 122.275 1.036 . . . . 0.0 110.915 168.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.4 m -145.75 160.45 41.71 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.537 1.535 . . . . 0.0 107.96 169.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.1 p -151.29 68.98 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 C-N-CA 125.671 1.588 . . . . 0.0 110.572 -177.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.5 m . . . . . 0 N--CA 1.472 0.66 0 O-C-N 121.035 -1.041 . . . . 0.0 111.832 -177.978 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.4 mttp . . . . . 0 N--CA 1.478 0.954 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 23.5 t -124.4 142.83 39.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 124.314 1.046 . . . . 0.0 110.01 -176.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -101.09 148.63 24.84 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 127.162 2.185 . . . . 0.0 109.859 170.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.1 p -148.29 144.41 18.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 O-C-N 121.409 -0.807 . . . . 0.0 111.704 171.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.903 0 N-CA-C 117.302 1.681 . . . . 0.0 117.302 173.958 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.537 0.444 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 85.6 m -52.13 -57.95 8.05 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 121.051 1.75 . . . . 0.0 114.981 -169.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -74.63 -46.03 40.93 Favored 'General case' 0 C--N 1.344 0.331 0 CA-C-N 119.817 1.19 . . . . 0.0 111.081 -178.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . 0.262 3.0 pp -60.24 -35.27 75.1 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 119.844 1.202 . . . . 0.0 112.114 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -58.22 -52.87 63.78 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.397 1.079 . . . . 0.0 112.174 170.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.28 -37.17 86.55 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 119.742 1.155 . . . . 0.0 111.9 176.27 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.57 -43.6 93.35 Favored 'General case' 0 C--O 1.223 -0.328 0 C-N-CA 124.473 1.109 . . . . 0.0 111.678 -179.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -66.91 -63.86 0.97 Allowed 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 125.24 1.416 . . . . 0.0 111.758 173.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -57.23 -22.32 43.26 Favored Glycine 0 CA--C 1.545 1.958 0 N-CA-C 115.423 0.929 . . . . 0.0 115.423 -178.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -53.69 -52.07 61.21 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.732 1.613 . . . . 0.0 112.659 169.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -67.02 -46.29 74.93 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.285 0.634 . . . . 0.0 110.564 177.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -165.09 151.01 19.62 Favored Glycine 0 N--CA 1.473 1.117 0 CA-C-O 118.418 -1.212 . . . . 0.0 112.796 176.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -63.77 123.85 12.66 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 CA-C-N 120.894 2.347 . . . . 0.0 112.844 -169.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 18.3 mt -60.52 157.2 14.66 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 125.062 1.345 . . . . 0.0 112.857 173.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -118.72 -21.71 7.75 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.601 1.161 . . . . 0.0 112.303 169.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.0 m -160.97 150.17 16.77 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.295 1.838 . . . . 0.0 111.415 168.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 99.2 t -138.8 141.62 36.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 126.244 1.818 . . . . 0.0 108.499 173.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 87.4 t90 -146.46 142.57 28.25 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 124.546 1.139 . . . . 0.0 111.395 -173.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 1.9 m -138.21 142.32 35.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 N-CA-C 106.375 -1.713 . . . . 0.0 106.375 168.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.704 0 N-CA-C 116.718 2.118 . . . . 0.0 116.718 -167.57 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.553 1.074 0 N-CA-C 106.118 -1.808 . . . . 0.0 106.118 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -161.05 177.34 10.41 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 115.531 1.678 . . . . 0.0 115.531 -166.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -145.42 169.09 19.01 Favored 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 178.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -157.36 153.53 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 125.926 1.691 . . . . 0.0 111.037 -171.398 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -138.39 122.97 18.54 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.758 1.623 . . . . 0.0 108.922 169.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -98.84 -10.65 22.65 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.259 1.024 . . . . 0.0 113.279 175.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 65.46 -40.1 0.3 Allowed 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 128.42 2.688 . . . . 0.0 114.696 -177.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -91.47 127.3 51.28 Favored Pre-proline 0 CA--C 1.549 0.912 0 C-N-CA 125.322 1.449 . . . . 0.0 110.595 174.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo -62.96 -31.42 77.0 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.117 2.545 . . . . 0.0 115.523 -179.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.4 -40.98 73.59 Favored 'General case' 0 N--CA 1.481 1.119 0 CA-C-N 120.776 1.625 . . . . 0.0 111.372 176.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -60.82 -49.19 78.46 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 122.668 0.387 . . . . 0.0 110.137 178.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.14 -40.52 96.34 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 171.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -58.77 -43.74 90.46 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 120.295 1.407 . . . . 0.0 112.326 -179.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -71.63 -35.77 70.52 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.338 -0.851 . . . . 0.0 111.201 176.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -74.64 1.27 12.59 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 172.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -129.16 -1.9 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 O-C-N 120.179 -1.576 . . . . 0.0 112.389 178.228 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -122.09 4.6 9.83 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.961 1.705 . . . . 0.0 113.519 169.569 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -126.22 -30.01 2.95 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.411 1.085 . . . . 0.0 113.13 169.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 73.1 mt -76.11 -46.33 29.38 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 120.475 1.489 . . . . 0.0 111.21 168.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . 0.265 47.8 p30 11.64 -34.95 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.417 2 C-N-CA 135.14 5.376 . . . . 0.0 122.576 -170.415 . . . . . . . . 3 2 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 167.26 25.68 0.02 OUTLIER Glycine 0 CA--C 1.536 1.348 0 C-N-CA 126.47 1.986 . . . . 0.0 114.393 177.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 34.9 mtt180 -78.42 -75.11 0.24 Allowed 'General case' 0 N--CA 1.482 1.125 0 CA-C-N 118.92 1.36 . . . . 0.0 112.712 -169.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 2.3 m -171.32 140.86 1.5 Allowed 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 127.907 2.483 . . . . 0.0 106.936 175.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 9.0 tp -165.22 141.42 5.52 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 105.338 -2.097 . . . . 0.0 105.338 -178.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 58.3 m 59.6 -48.74 0.08 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 127.383 2.273 . . . . 0.0 113.927 -168.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 150.98 31.85 0.04 OUTLIER Glycine 0 CA--C 1.529 0.952 0 C-N-CA 125.259 1.409 . . . . 0.0 115.726 168.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -139.42 178.92 6.85 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.247 1.019 . . . . 0.0 111.383 176.351 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.34 90.3 0.7 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.359 1.464 . . . . 0.0 108.6 176.717 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 9.1 p -75.41 165.59 3.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 124.179 0.991 . . . . 0.0 109.391 -175.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . 0.407 ' HG2' HH11 ' A' ' 141' ' ' ARG . 0.0 OUTLIER -136.07 131.43 34.86 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 127.669 2.388 . . . . 0.0 106.181 169.742 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 61.6 t -138.31 109.96 5.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 169.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -122.07 155.27 36.02 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 120.98 -1.075 . . . . 0.0 110.356 -169.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 7.0 tt -74.11 131.28 41.15 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 120.417 -1.427 . . . . 0.0 107.614 169.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 24.0 t . . . . . 0 CA--C 1.541 0.604 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 -168.764 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 . . . . . 0 CA--C 1.544 0.715 0 CA-C-O 121.1 0.476 . . . . 0.0 111.38 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -125.47 153.47 43.49 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 127.504 2.322 . . . . 0.0 108.422 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -106.6 162.89 13.35 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.792 1.237 . . . . 0.0 111.22 179.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -145.65 138.07 25.67 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.741 2.016 . . . . 0.0 110.339 174.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.4 mp -114.94 131.48 67.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 126.427 1.891 . . . . 0.0 110.275 173.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.2 mp -106.88 58.83 0.63 Allowed 'General case' 0 C--O 1.222 -0.392 0 C-N-CA 127.132 2.173 . . . . 0.0 110.389 -176.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 . . . . . 0 CA--C 1.551 1.018 0 O-C-N 120.906 -1.122 . . . . 0.0 113.076 174.213 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -166.05 -161.61 15.5 Favored Glycine 0 CA--C 1.533 1.211 0 N-CA-C 116.562 1.385 . . . . 0.0 116.562 169.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -148.66 163.15 38.16 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.671 1.588 . . . . 0.0 112.101 -179.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.6 t -159.71 -176.56 5.8 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 126.066 1.746 . . . . 0.0 110.764 169.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 72.6 p -142.34 169.34 17.77 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 126.208 1.803 . . . . 0.0 110.696 173.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.2 t -157.38 150.33 23.42 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 121.357 -0.84 . . . . 0.0 111.551 172.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -76.59 118.75 19.55 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 167.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -138.35 175.9 9.17 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.887 1.675 . . . . 0.0 111.997 178.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.9 p -80.19 -40.16 19.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 O-C-N 121.1 -1.0 . . . . 0.0 111.056 169.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 t70 172.16 -160.01 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 131.405 3.882 . . . . 0.0 106.929 -177.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.75 -22.2 2.0 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 120.233 -1.542 . . . . 0.0 114.424 170.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.34 -4.85 15.9 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 121.019 -1.05 . . . . 0.0 113.567 174.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.1 m -137.06 -36.93 0.66 Allowed 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.734 1.614 . . . . 0.0 112.32 172.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.2 -38.48 90.61 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.781 1.232 . . . . 0.0 110.913 176.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -73.67 2.77 7.45 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 178.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.89 19.03 4.15 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 120.48 -1.387 . . . . 0.0 111.878 174.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.5 t -120.74 -51.83 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 125.449 1.5 . . . . 0.0 109.995 177.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -61.27 -27.55 68.55 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 123.846 0.858 . . . . 0.0 113.014 176.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -56.09 -29.63 60.86 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.662 1.185 . . . . 0.0 113.197 175.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -84.78 -49.4 8.48 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.595 0.758 . . . . 0.0 110.732 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -63.37 -40.36 97.05 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.965 0.906 . . . . 0.0 112.033 179.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.12 -49.35 78.0 Favored 'General case' 0 N--CA 1.453 -0.311 0 O-C-N 121.306 -0.871 . . . . 0.0 111.845 177.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -65.18 -21.23 66.74 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 174.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -79.91 -30.26 40.02 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 119.515 1.052 . . . . 0.0 112.934 174.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -77.18 -35.33 55.96 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 167.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 119.82 -3.99 13.08 Favored Glycine 0 N--CA 1.438 -1.194 0 C-N-CA 128.925 3.155 . . . . 0.0 114.06 171.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.0 t -74.4 141.93 15.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 CA-C-N 118.857 1.329 . . . . 0.0 111.108 177.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -161.33 52.59 0.26 Allowed 'General case' 0 CA--C 1.544 0.749 0 CA-C-O 122.672 1.225 . . . . 0.0 112.383 169.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.26 -151.93 7.58 Favored Glycine 0 CA--C 1.539 1.545 0 C-N-CA 125.601 1.572 . . . . 0.0 115.425 177.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -68.04 113.23 5.55 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.016 1.327 . . . . 0.0 111.051 176.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 80.4 m95 -77.71 138.25 38.94 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 121.101 -1.0 . . . . 0.0 110.739 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -143.43 161.9 37.18 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 126.517 1.927 . . . . 0.0 110.491 -170.552 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -158.02 168.26 27.61 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.087 1.355 . . . . 0.0 111.439 -177.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -141.2 165.51 27.34 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.272 1.429 . . . . 0.0 112.094 173.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.427 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 28.9 t70 -124.37 1.04 8.37 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 -177.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -98.95 -32.13 11.47 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.456 1.502 . . . . 0.0 111.482 171.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.1 t -123.77 -1.91 8.37 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.381 1.073 . . . . 0.0 113.406 178.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.427 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 2.3 mmpt? 53.76 42.06 31.89 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.963 1.305 . . . . 0.0 112.919 169.147 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.8 m -118.72 109.89 16.62 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 125.836 1.654 . . . . 0.0 109.395 -171.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -64.18 164.04 11.6 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 122.489 1.138 . . . . 0.0 111.643 169.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.2 m -147.41 156.86 43.28 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 125.257 1.423 . . . . 0.0 107.722 169.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 15.0 p -141.53 109.48 2.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 126.378 1.871 . . . . 0.0 107.888 170.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 64.9 m . . . . . 0 N--CA 1.475 0.784 0 C-N-CA 123.193 0.597 . . . . 0.0 110.626 -170.573 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.5 mttp . . . . . 0 N--CA 1.477 0.883 0 CA-C-O 121.804 0.811 . . . . 0.0 111.892 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -126.14 140.68 47.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 C-N-CA 126.622 1.969 . . . . 0.0 108.885 173.391 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -91.34 148.16 22.53 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 126.565 1.946 . . . . 0.0 109.935 -178.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -145.95 138.35 20.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.088 0.471 . . . . 0.0 111.419 171.11 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.314 0 N-CA-C 117.297 1.679 . . . . 0.0 117.297 177.406 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.447 0 N-CA-C 121.186 3.772 . . . . 0.0 121.186 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 57.9 m -57.75 -50.4 73.37 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 120.923 1.692 . . . . 0.0 114.595 -169.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 60.2 tt0 -70.69 -47.58 59.11 Favored 'General case' 0 C--N 1.341 0.233 0 CA-C-N 119.085 0.857 . . . . 0.0 110.559 -177.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.9 pp -60.93 -34.5 74.81 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 118.939 0.79 . . . . 0.0 112.045 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -59.75 -45.2 92.97 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 119.011 0.823 . . . . 0.0 112.515 172.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.86 -36.45 75.53 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 119.788 1.176 . . . . 0.0 112.736 172.182 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.5 -44.31 97.31 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 124.268 1.027 . . . . 0.0 111.543 -179.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -69.35 -65.18 0.74 Allowed 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 125.022 1.329 . . . . 0.0 111.768 173.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -52.97 -21.69 10.77 Favored Glycine 0 CA--C 1.546 2.007 0 N-CA-C 115.958 1.143 . . . . 0.0 115.958 -176.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -55.14 -50.73 68.52 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.123 1.769 . . . . 0.0 113.089 168.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -66.94 -40.86 87.68 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.822 0.849 . . . . 0.0 110.903 176.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -176.77 166.75 37.75 Favored Glycine 0 N--CA 1.477 1.424 0 CA-C-O 118.485 -1.175 . . . . 0.0 114.575 169.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -67.18 130.07 21.9 Favored 'Trans proline' 0 CA--C 1.535 0.528 0 CA-C-N 121.599 2.699 . . . . 0.0 113.813 -169.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 18.9 mt -71.23 144.34 50.11 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.011 1.724 . . . . 0.0 112.187 174.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 45.0 ttm180 -94.85 -34.14 12.57 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.78 1.632 . . . . 0.0 111.165 169.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 88.0 p -153.86 154.76 34.49 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.491 1.116 . . . . 0.0 112.248 173.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 67.5 t -140.77 131.79 28.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 125.29 1.436 . . . . 0.0 108.635 172.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 76.1 t90 -139.96 148.91 42.62 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 125.713 1.605 . . . . 0.0 110.484 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.9 m -142.77 151.44 17.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 C-N-CA 125.96 1.704 . . . . 0.0 107.373 175.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.722 0 N-CA-C 116.116 1.895 . . . . 0.0 116.116 -168.494 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.544 0.746 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -164.28 172.35 13.66 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 -167.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -147.26 146.17 29.68 Favored 'General case' 0 N--CA 1.482 1.128 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 175.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 18.1 m -141.49 170.26 13.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 124.259 1.024 . . . . 0.0 112.678 -175.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -144.85 148.8 34.39 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 120.97 -1.081 . . . . 0.0 109.719 168.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -113.05 158.75 19.92 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.348 1.459 . . . . 0.0 112.368 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -64.35 -41.81 96.56 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 177.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -110.5 126.1 29.53 Favored Pre-proline 0 CA--C 1.545 0.771 0 C-N-CA 124.786 1.234 . . . . 0.0 108.934 175.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -50.26 -25.65 13.9 Favored 'Trans proline' 0 CA--C 1.539 0.726 0 C-N-CA 123.541 2.827 . . . . 0.0 114.446 169.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.06 -28.18 62.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.164 0.986 . . . . 0.0 113.201 171.435 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -66.34 -45.43 80.25 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 119.715 1.143 . . . . 0.0 109.342 169.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.88 -37.41 82.05 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 118.716 -0.659 . . . . 0.0 112.18 172.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.73 -46.99 73.68 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 119.822 1.192 . . . . 0.0 112.754 175.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -56.01 -45.56 79.04 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 118.921 0.782 . . . . 0.0 110.964 171.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.42 -57.65 7.8 Favored 'General case' 0 C--O 1.221 -0.425 0 C-N-CA 123.333 0.653 . . . . 0.0 110.446 -178.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 41.7 t -53.76 -42.46 52.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 124.773 1.229 . . . . 0.0 112.184 178.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.11 -11.86 58.52 Favored 'General case' 0 N--CA 1.48 1.025 0 N-CA-C 114.336 1.235 . . . . 0.0 114.336 -176.273 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -112.76 -19.01 12.17 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 176.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 74.1 mt -89.67 -30.74 17.88 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.423 1.889 . . . . 0.0 112.541 169.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 13.8 p30 4.09 -48.24 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.395 1 C-N-CA 134.079 4.951 . . . . 0.0 120.167 -174.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 179.07 40.91 0.07 OUTLIER Glycine 0 CA--C 1.531 1.089 0 C-N-CA 129.148 3.261 . . . . 0.0 112.382 171.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 25.3 mmt85 -67.7 -84.05 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 125.231 1.412 . . . . 0.0 112.346 -174.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 3.3 m 177.62 140.38 0.08 Allowed 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 131.411 3.884 . . . . 0.0 105.51 178.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -167.77 141.1 3.34 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 105.538 -2.023 . . . . 0.0 105.538 -170.043 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 74.4 m 58.59 -29.26 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 127.019 2.128 . . . . 0.0 115.564 -169.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 144.88 2.65 0.73 Allowed Glycine 0 CA--C 1.529 0.911 0 C-N-CA 126.247 1.879 . . . . 0.0 115.67 169.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -128.39 177.85 6.68 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.742 1.217 . . . . 0.0 111.351 -177.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.74 90.71 1.87 Allowed 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.301 1.44 . . . . 0.0 109.529 -177.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 6.1 p -67.34 168.24 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 126.63 1.972 . . . . 0.0 109.159 177.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -156.58 126.6 6.42 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 126.956 2.102 . . . . 0.0 106.568 172.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 98.0 t -132.15 128.2 58.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 -174.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -140.42 178.14 7.52 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.822 0.849 . . . . 0.0 110.897 -169.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 20.3 tp -78.9 139.32 38.32 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 120.359 -1.463 . . . . 0.0 109.044 168.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 48.3 t . . . . . 0 N--CA 1.473 0.69 0 C-N-CA 123.867 0.867 . . . . 0.0 111.252 175.515 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 . . . . . 0 CA--C 1.544 0.747 0 CA-C-O 120.879 0.371 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.462 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 86.1 m-85 -126.1 157.81 37.08 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 127.277 2.231 . . . . 0.0 108.882 -177.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -114.42 163.2 15.66 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.733 1.213 . . . . 0.0 112.074 -176.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -149.63 127.88 12.1 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 126.296 1.838 . . . . 0.0 111.612 179.58 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.4 mp -109.69 108.17 24.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 126.153 1.781 . . . . 0.0 110.831 176.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 16.2 mt -83.99 58.97 4.99 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 128.75 2.82 . . . . 0.0 111.734 176.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 . . . . . 0 C--N 1.329 -0.285 0 O-C-N 120.945 -1.097 . . . . 0.0 111.144 178.27 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.516 -0.347 0 CA-C-O 121.267 0.556 . . . . 0.0 111.856 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -176.1 -161.78 25.84 Favored Glycine 0 CA--C 1.522 0.508 0 CA-C-N 114.647 -1.161 . . . . 0.0 115.458 168.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -156.82 155.55 31.72 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.414 1.086 . . . . 0.0 112.389 -174.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.9 t -151.42 -173.66 4.58 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.96 1.304 . . . . 0.0 109.704 174.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 66.9 p -142.06 173.38 11.57 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.299 1.44 . . . . 0.0 110.846 176.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.6 t -158.59 149.33 20.25 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 121.293 -0.879 . . . . 0.0 111.416 173.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 47.4 tp10 -75.06 118.23 17.78 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 107.002 -1.481 . . . . 0.0 107.002 167.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -137.22 176.91 8.28 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.616 1.567 . . . . 0.0 112.1 178.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.408 ' H ' ' HB ' ' A' ' 25' ' ' THR . 55.4 t -84.43 -38.82 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 O-C-N 121.546 -0.721 . . . . 0.0 111.629 171.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.462 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 2.4 t70 174.58 -156.61 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 130.819 3.648 . . . . 0.0 106.9 173.571 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.82 -21.01 2.51 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 120.468 -1.395 . . . . 0.0 113.616 169.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.55 -7.61 27.47 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.931 1.292 . . . . 0.0 113.814 173.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.408 ' HB ' ' H ' ' A' ' 21' ' ' VAL . 49.8 m -135.48 -37.73 0.76 Allowed 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.84 1.656 . . . . 0.0 111.935 175.429 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.69 -39.66 94.87 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.177 1.391 . . . . 0.0 110.601 176.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -74.44 3.48 7.47 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 114.795 1.406 . . . . 0.0 114.795 178.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.34 18.45 4.42 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 120.368 -1.458 . . . . 0.0 111.821 173.215 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.5 t -119.87 -51.34 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 125.414 1.486 . . . . 0.0 109.777 177.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -61.75 -27.06 68.46 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 123.801 0.841 . . . . 0.0 112.66 177.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -56.18 -32.42 64.33 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.789 1.236 . . . . 0.0 113.202 175.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -81.36 -47.8 12.79 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.335 0.654 . . . . 0.0 110.788 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -66.23 -37.5 85.69 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.403 1.081 . . . . 0.0 112.101 179.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.38 -47.86 84.26 Favored 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 121.137 -0.977 . . . . 0.0 112.003 177.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 -67.02 -18.74 65.5 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 113.599 0.963 . . . . 0.0 113.599 175.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -80.91 -29.68 35.53 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.426 1.012 . . . . 0.0 113.127 171.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -77.42 -34.01 54.8 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.794 -0.566 . . . . 0.0 109.474 168.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.56 7.14 43.02 Favored Glycine 0 N--CA 1.44 -1.075 0 C-N-CA 127.989 2.709 . . . . 0.0 113.908 175.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.5 t -83.35 149.26 4.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-N 117.651 0.725 . . . . 0.0 110.117 170.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -160.69 46.1 0.21 Allowed 'General case' 0 CA--C 1.549 0.907 0 CA-C-O 122.922 1.344 . . . . 0.0 110.977 170.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.1 -151.32 0.84 Allowed Glycine 0 CA--C 1.539 1.591 0 C-N-CA 126.219 1.866 . . . . 0.0 117.641 178.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -68.45 93.01 0.46 Allowed 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 125.73 1.612 . . . . 0.0 112.431 -175.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 76.4 m95 -66.96 109.49 2.98 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 119.363 -2.085 . . . . 0.0 110.637 -174.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.6 m -128.0 160.59 31.45 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 127.116 2.167 . . . . 0.0 109.134 -170.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -149.08 163.07 38.61 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 126.098 1.759 . . . . 0.0 109.985 179.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -135.0 125.74 27.17 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 125.243 1.417 . . . . 0.0 108.437 171.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.438 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.8 OUTLIER -85.11 -7.64 59.0 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 -173.332 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -101.76 -28.65 12.33 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.304 1.442 . . . . 0.0 112.223 -177.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.8 t -113.37 1.85 15.26 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.656 0.783 . . . . 0.0 112.888 171.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.438 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 4.3 mmpt? 53.81 40.07 31.09 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 126.277 1.831 . . . . 0.0 112.869 169.723 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 57.6 m -124.58 112.9 17.36 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.852 1.261 . . . . 0.0 110.483 -169.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -67.31 158.52 31.36 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.847 1.259 . . . . 0.0 111.278 169.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 37.8 m -147.96 151.76 36.35 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.089 1.356 . . . . 0.0 107.71 169.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.289 10.6 p -147.09 58.76 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 CA-C-O 123.272 1.51 . . . . 0.0 112.752 -171.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.6 m . . . . . 0 N--CA 1.476 0.835 0 C-N-CA 126.96 2.104 . . . . 0.0 114.295 -173.169 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.728 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.3 t -120.55 128.36 76.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 C-N-CA 126.6 1.96 . . . . 0.0 108.162 178.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -85.76 143.86 28.09 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 124.221 1.008 . . . . 0.0 109.337 171.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -149.67 138.4 15.0 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.276 0 CA-C-O 121.662 0.744 . . . . 0.0 112.45 175.498 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.698 0 N-CA-C 108.479 -1.848 . . . . 0.0 108.479 167.998 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.5 ptpt . . . . . 0 N--CA 1.47 0.545 0 N-CA-C 115.712 1.745 . . . . 0.0 115.712 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 90.0 m -47.34 -62.43 1.43 Allowed 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 125.06 1.344 . . . . 0.0 113.495 -169.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.16 -55.76 16.8 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.27 -174.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.5 pp -64.72 -34.45 78.35 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 120.251 -0.58 . . . . 0.0 111.732 -171.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -61.13 -49.98 75.08 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 119.551 1.069 . . . . 0.0 111.378 176.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.26 -34.25 77.57 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 118.983 -1.087 . . . . 0.0 111.866 174.008 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.21 -43.44 91.54 Favored 'General case' 0 C--O 1.222 -0.38 0 C-N-CA 123.905 0.882 . . . . 0.0 112.007 -178.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -67.89 -63.65 1.02 Allowed 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 125.061 1.344 . . . . 0.0 111.078 174.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -56.08 -21.71 32.74 Favored Glycine 0 CA--C 1.546 2.021 0 N-CA-C 115.764 1.065 . . . . 0.0 115.764 -177.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -54.74 -51.16 66.52 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.854 1.662 . . . . 0.0 113.094 168.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -66.31 -40.84 90.24 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.197 0.599 . . . . 0.0 110.578 176.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -176.62 158.92 25.4 Favored Glycine 0 N--CA 1.479 1.523 0 CA-C-O 118.259 -1.301 . . . . 0.0 114.394 169.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -57.41 138.79 87.85 Favored 'Trans proline' 0 CA--C 1.536 0.614 0 CA-C-N 121.773 2.787 . . . . 0.0 115.877 -169.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 15.2 mt -83.89 158.23 21.69 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 126.199 1.799 . . . . 0.0 112.721 177.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 38.6 mtm-85 -109.31 -31.21 7.64 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 126.01 1.724 . . . . 0.0 112.118 169.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.5 t -155.55 149.64 25.64 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.241 1.017 . . . . 0.0 111.731 176.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 81.0 t -139.78 129.67 29.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 125.517 1.527 . . . . 0.0 108.791 172.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 79.4 t90 -136.17 150.58 49.1 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 126.054 1.742 . . . . 0.0 110.179 173.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 5.7 m -142.26 151.76 18.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 C-N-CA 123.699 0.799 . . . . 0.0 110.739 174.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.501 0 CA-C-O 121.623 0.725 . . . . 0.0 110.586 174.484 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.54 0.569 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -165.76 174.02 10.1 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.921 1.288 . . . . 0.0 114.069 -168.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -148.85 147.47 28.76 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 172.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 16.5 m -135.34 173.75 13.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 O-C-N 121.193 -0.942 . . . . 0.0 112.547 177.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -146.67 140.18 25.79 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.602 1.161 . . . . 0.0 108.599 169.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -105.81 160.65 15.07 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.615 1.166 . . . . 0.0 113.078 -176.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -66.52 -27.11 67.51 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 173.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -141.12 123.58 9.53 Favored Pre-proline 0 CA--C 1.55 0.949 0 C-N-CA 124.331 1.053 . . . . 0.0 111.75 -173.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.74 -30.6 57.25 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 124.739 3.626 . . . . 0.0 115.456 176.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 23.2 ttp-105 -56.88 -48.52 77.97 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-N 119.799 1.181 . . . . 0.0 110.669 171.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -76.97 -34.66 57.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.858 -174.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.91 -47.03 86.43 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.342 0.657 . . . . 0.0 111.469 169.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.86 -49.69 69.54 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.55 0.74 . . . . 0.0 111.259 -179.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -70.43 -30.09 66.85 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 119.07 0.85 . . . . 0.0 112.974 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.21 -54.1 48.53 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 121.774 -0.579 . . . . 0.0 110.422 169.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 40.0 t -52.7 -42.45 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 124.779 1.232 . . . . 0.0 111.939 173.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -67.95 -23.35 65.05 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 127.195 2.198 . . . . 0.0 113.65 -179.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -106.1 -38.65 6.22 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.159 0.984 . . . . 0.0 113.42 178.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 32.6 mt -66.6 -40.19 88.76 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.724 1.61 . . . . 0.0 114.369 -177.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -58.08 142.82 45.74 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 115.923 1.823 . . . . 0.0 115.923 -169.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 74.13 -63.03 2.11 Favored Glycine 0 CA--C 1.531 1.087 0 C-N-CA 126.462 1.982 . . . . 0.0 116.992 169.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . 0.26 0.0 OUTLIER -74.36 38.57 0.11 Allowed 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 127.856 2.462 . . . . 0.0 117.452 -167.833 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 97.2 m 72.83 143.58 0.07 Allowed 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 127.008 2.123 . . . . 0.0 113.78 170.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 36.9 tp -142.6 -64.68 0.41 Allowed 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.355 0.662 . . . . 0.0 111.945 173.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 24.5 m -74.09 -27.43 60.89 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 119.307 0.958 . . . . 0.0 113.435 171.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 131.0 35.66 0.38 Allowed Glycine 0 CA--C 1.536 1.393 0 N-CA-C 117.032 1.573 . . . . 0.0 117.032 169.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 37.8 t -143.74 -75.99 0.24 Allowed 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 119.054 1.427 . . . . 0.0 109.093 178.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 70.0 mtp180 -148.23 162.56 39.22 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 127.64 2.376 . . . . 0.0 109.88 169.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 78.9 t -127.8 150.76 33.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 126.557 1.943 . . . . 0.0 109.219 169.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.65 97.18 2.59 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.612 1.565 . . . . 0.0 110.091 175.445 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 48.5 t -122.49 133.32 69.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 126.084 1.754 . . . . 0.0 110.678 -168.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -145.02 167.75 21.92 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.172 0.989 . . . . 0.0 111.713 -176.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 22.1 tp -79.94 139.09 37.2 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 167.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 N--CA 1.468 0.446 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 -172.526 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 . . . . . 0 CA--C 1.549 0.909 0 CA-C-O 120.859 0.361 . . . . 0.0 111.565 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.459 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 83.2 m-85 -126.07 157.53 37.73 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 127.799 2.44 . . . . 0.0 108.914 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -111.36 162.57 14.9 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.079 1.352 . . . . 0.0 111.745 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.6 tp -143.64 140.88 30.33 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 126.782 2.033 . . . . 0.0 111.252 173.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mp -119.9 106.95 19.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 126.408 1.883 . . . . 0.0 109.403 172.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 73.9 mt -77.54 75.24 4.09 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 126.285 1.834 . . . . 0.0 109.258 169.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 . . . . . 0 CA--C 1.562 1.409 0 C-N-CA 125.599 1.56 . . . . 0.0 114.302 172.485 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.718 0 N-CA-C 120.248 3.425 . . . . 0.0 120.248 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -175.57 -166.22 32.81 Favored Glycine 0 CA--C 1.528 0.895 0 N-CA-C 117.058 1.583 . . . . 0.0 117.058 169.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -130.69 163.23 27.69 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 118.913 1.357 . . . . 0.0 113.792 -168.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.4 t -157.5 -176.61 6.05 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.553 1.541 . . . . 0.0 110.777 169.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.1 p -143.14 169.5 17.47 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 126.352 1.861 . . . . 0.0 110.538 174.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.8 t -157.93 149.2 21.31 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.27 -0.893 . . . . 0.0 111.76 172.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.0 tp10 -75.08 119.11 18.79 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 106.955 -1.498 . . . . 0.0 106.955 167.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -138.75 175.99 9.08 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.529 1.531 . . . . 0.0 112.453 178.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 49.4 t -83.69 -39.07 14.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 O-C-N 121.426 -0.796 . . . . 0.0 111.752 171.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.459 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 3.3 t70 173.63 -155.9 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 131.272 3.829 . . . . 0.0 106.656 174.278 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.5 -19.79 2.49 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 120.625 1.557 . . . . 0.0 113.874 169.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.44 -7.49 19.86 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.559 1.144 . . . . 0.0 113.674 172.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 54.9 m -137.56 -38.26 0.6 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.993 1.717 . . . . 0.0 112.095 175.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.43 -38.95 88.54 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.019 1.328 . . . . 0.0 110.914 177.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -74.97 4.36 6.73 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 177.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.97 19.42 4.55 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 125.172 1.389 . . . . 0.0 111.546 171.198 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.5 t -119.92 -51.37 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 124.875 1.27 . . . . 0.0 110.3 176.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -60.92 -26.89 67.8 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.303 0.482 . . . . 0.0 112.303 176.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -54.53 -32.29 57.94 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.833 1.253 . . . . 0.0 113.0 171.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -77.53 -51.13 11.22 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 118.589 0.631 . . . . 0.0 110.848 176.254 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 94.0 t80 -60.11 -43.78 95.35 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 124.089 0.955 . . . . 0.0 112.336 -178.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.93 -49.85 74.37 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.964 0.906 . . . . 0.0 110.745 176.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -67.4 -23.83 65.6 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 178.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . 0.324 1.4 p30 -87.39 -15.29 38.25 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 120.282 1.401 . . . . 0.0 114.069 175.489 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -84.0 -46.98 11.46 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 166.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 133.46 -0.63 4.29 Favored Glycine 0 CA--C 1.541 1.693 0 C-N-CA 128.936 3.16 . . . . 0.0 115.627 172.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.1 t -77.72 155.23 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 125.063 1.345 . . . . 0.0 112.763 176.045 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -166.25 39.78 0.05 Allowed 'General case' 0 CA--C 1.559 1.32 0 C-N-CA 125.141 1.376 . . . . 0.0 111.729 169.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.92 -145.4 0.49 Allowed Glycine 0 CA--C 1.544 1.903 0 N-CA-C 118.11 2.004 . . . . 0.0 118.11 -176.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -72.16 89.07 1.15 Allowed 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.888 1.675 . . . . 0.0 112.44 -177.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 90.2 m95 -65.55 112.59 3.68 Favored 'General case' 0 C--O 1.236 0.344 0 O-C-N 120.058 -1.651 . . . . 0.0 110.543 -176.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 38.9 m -132.91 160.56 36.66 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 127.465 2.306 . . . . 0.0 108.559 -169.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -156.68 165.54 35.97 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.168 1.387 . . . . 0.0 111.097 -171.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -143.24 157.06 44.82 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.399 1.88 . . . . 0.0 110.494 -174.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.411 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 28.1 t70 -127.79 1.43 6.06 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 -176.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -88.73 -30.58 18.97 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.506 1.122 . . . . 0.0 109.949 169.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -130.96 -7.57 3.93 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 -174.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.411 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 1.2 mmpt? 60.38 46.13 10.28 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.268 1.827 . . . . 0.0 112.56 178.53 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 82.1 m -119.58 110.99 17.52 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.022 0.929 . . . . 0.0 111.534 -172.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -64.97 157.56 27.9 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.817 0.847 . . . . 0.0 111.332 169.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 35.3 m -147.59 149.58 32.82 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.237 1.415 . . . . 0.0 108.202 171.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.269 14.5 p -148.33 79.24 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 CA-C-O 123.179 1.466 . . . . 0.0 111.61 -175.538 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.4 m . . . . . 0 N--CA 1.473 0.677 0 C-N-CA 125.274 1.43 . . . . 0.0 111.873 -176.727 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 40.2 mmtm . . . . . 0 CA--C 1.531 0.226 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 63.6 t -130.74 139.15 51.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 124.635 1.174 . . . . 0.0 111.12 -170.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -93.2 147.77 22.6 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 126.412 1.885 . . . . 0.0 110.032 169.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -147.85 131.35 8.6 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.296 0 CA-C-O 121.431 0.634 . . . . 0.0 111.144 169.66 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.892 0 O-C-N 121.298 -0.876 . . . . 0.0 114.335 -179.822 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 20.1 pttp . . . . . 0 C--O 1.217 -0.639 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 21.7 m -43.5 -57.9 2.88 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 126.306 1.842 . . . . 0.0 114.132 -170.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.77 -59.36 4.66 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 122.578 0.351 . . . . 0.0 110.682 -177.704 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.1 pp -63.03 -33.66 75.91 Favored 'General case' 0 C--O 1.218 -0.568 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -175.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -58.83 -48.37 81.56 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 126.418 1.887 . . . . 0.0 111.419 175.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -34.43 70.97 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 118.413 -0.803 . . . . 0.0 112.127 172.423 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.0 -39.42 92.18 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 119.419 1.009 . . . . 0.0 111.701 178.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.429 ' CD2' HG22 ' A' ' 115' ' ' VAL . 11.1 m-85 -75.26 -62.08 1.68 Allowed 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 126.317 1.847 . . . . 0.0 111.747 176.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -63.68 -13.52 51.66 Favored Glycine 0 CA--C 1.544 1.858 0 N-CA-C 115.293 0.877 . . . . 0.0 115.293 -178.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -54.98 -48.35 73.38 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 118.999 1.399 . . . . 0.0 111.662 167.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -65.5 -47.74 74.96 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.495 0.718 . . . . 0.0 109.544 172.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 176.14 160.46 23.56 Favored Glycine 0 N--CA 1.478 1.444 0 N-CA-C 115.652 1.021 . . . . 0.0 115.652 169.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -47.58 139.13 18.38 Favored 'Trans proline' 0 CA--C 1.537 0.65 0 C-N-CA 124.079 3.186 . . . . 0.0 116.718 -168.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.93 150.89 38.47 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.844 1.257 . . . . 0.0 113.373 173.537 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -94.45 -37.92 11.19 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 127.068 2.147 . . . . 0.0 112.723 -169.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.1 m -140.58 144.38 35.82 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.855 1.262 . . . . 0.0 110.415 175.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 1.8 t -143.29 131.43 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 125.436 1.494 . . . . 0.0 107.169 -178.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 85.1 t90 -147.1 147.91 31.06 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.998 0.919 . . . . 0.0 112.257 -168.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 1.4 m -141.97 153.11 18.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 O-C-N 121.593 -0.692 . . . . 0.0 109.604 169.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.654 0 N-CA-C 114.584 1.327 . . . . 0.0 114.584 -170.758 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.545 0.766 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -164.36 178.28 7.61 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 114.927 1.454 . . . . 0.0 114.927 -165.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -147.22 166.11 28.0 Favored 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 176.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.429 HG22 ' CD2' ' A' ' 94' ' ' PHE . 1.5 t -152.06 165.84 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 C-N-CA 126.439 1.896 . . . . 0.0 112.919 -173.474 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 56.4 tt0 -140.88 117.01 10.57 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 127.684 2.393 . . . . 0.0 108.105 167.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.4 ' CZ ' ' HB3' ' A' ' 94' ' ' PHE . 33.8 m-85 -79.58 159.0 27.0 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 119.692 1.133 . . . . 0.0 113.025 173.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -71.86 -19.25 61.99 Favored 'General case' 0 CA--C 1.548 0.875 0 O-C-N 121.455 -0.778 . . . . 0.0 112.151 174.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -137.67 124.78 13.68 Favored Pre-proline 0 CA--C 1.549 0.908 0 C-N-CA 126.975 2.11 . . . . 0.0 108.895 179.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -60.27 -24.84 78.56 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 122.651 2.234 . . . . 0.0 113.522 177.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -70.88 -31.33 67.96 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.049 0.84 . . . . 0.0 111.904 171.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -70.63 -40.1 73.3 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 120.004 1.275 . . . . 0.0 111.813 169.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.45 -43.0 83.57 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 119.152 0.887 . . . . 0.0 111.577 169.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.07 -48.75 75.0 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.163 0.585 . . . . 0.0 112.413 176.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -59.62 -42.34 92.47 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.288 1.035 . . . . 0.0 112.473 176.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.39 -54.97 24.44 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 118.83 -0.605 . . . . 0.0 109.694 177.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 37.5 t -50.89 -48.36 28.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 124.373 1.069 . . . . 0.0 112.472 175.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 7.1 ppt_? -69.45 -22.1 63.67 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 -176.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -111.27 -9.95 14.28 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 178.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 39.4 mt -90.02 -45.09 9.41 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.49 1.516 . . . . 0.0 112.499 172.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -61.43 130.05 44.15 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 113.704 1.002 . . . . 0.0 113.704 -169.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 65.43 38.39 94.83 Favored Glycine 0 CA--C 1.533 1.193 0 CA-C-O 119.129 -0.817 . . . . 0.0 114.533 169.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 22.7 mmt-85 -118.02 -56.97 2.14 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-N 118.28 1.04 . . . . 0.0 113.734 -173.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 16.9 m 138.07 128.08 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.13 1 C-N-CA 132.756 4.422 . . . . 0.0 107.859 -171.68 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -161.64 135.99 6.95 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 104.339 -2.467 . . . . 0.0 104.339 174.549 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 10.9 t 61.52 -62.91 0.09 Allowed 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 126.287 1.835 . . . . 0.0 111.027 -167.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 173.65 27.97 0.03 OUTLIER Glycine 0 CA--C 1.53 1.002 0 C-N-CA 124.926 1.251 . . . . 0.0 115.02 168.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -140.4 -169.75 2.84 Favored 'General case' 0 CA--C 1.55 0.975 0 CA-C-N 118.237 1.018 . . . . 0.0 112.37 -169.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.21 3.97 19.03 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 114.843 1.423 . . . . 0.0 114.843 -168.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . 0.27 3.6 p 36.34 70.79 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 128.748 2.819 . . . . 0.0 111.815 174.297 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.15 89.25 0.18 Allowed 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.774 2.029 . . . . 0.0 110.625 176.5 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 95.8 t -123.64 127.48 74.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 -171.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -153.24 167.75 28.28 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 121.211 -0.93 . . . . 0.0 111.869 -171.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 84.0 mt -75.51 134.2 40.84 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 120.514 -1.366 . . . . 0.0 109.245 169.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.467 0.4 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 -172.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 . . . . . 0 CA--C 1.544 0.715 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.416 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 57.5 m-85 -125.14 159.73 30.8 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 127.72 2.408 . . . . 0.0 108.828 -178.454 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -111.24 160.81 16.63 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.941 1.296 . . . . 0.0 111.53 -179.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -146.27 137.22 24.35 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 126.202 1.801 . . . . 0.0 110.872 175.049 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mp -112.4 121.0 63.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 126.368 1.867 . . . . 0.0 110.767 172.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.1 mp -87.75 66.48 8.85 Favored 'General case' 0 C--O 1.223 -0.301 0 C-N-CA 127.131 2.172 . . . . 0.0 109.87 178.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 14.4 t30 . . . . . 0 CA--C 1.553 1.094 0 C-N-CA 127.095 2.158 . . . . 0.0 115.185 -173.996 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.235 0.311 0 N-CA-C 117.275 2.324 . . . . 0.0 117.275 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -168.65 -152.48 7.72 Favored Glycine 0 CA--C 1.527 0.806 0 CA-C-N 113.959 -1.473 . . . . 0.0 116.573 170.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -156.75 157.21 34.67 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.728 1.611 . . . . 0.0 112.318 -179.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.7 t -155.65 -173.82 4.7 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 126.054 1.742 . . . . 0.0 109.749 176.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 54.6 p -140.61 169.74 17.08 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.703 1.601 . . . . 0.0 110.609 176.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.6 t -153.9 151.47 29.51 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.989 0.916 . . . . 0.0 111.456 178.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -80.94 122.79 27.69 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 168.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -143.71 172.57 12.64 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.697 1.199 . . . . 0.0 114.159 -178.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.411 ' H ' ' HB ' ' A' ' 25' ' ' THR . 19.8 t -97.38 -15.72 7.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 124.302 1.041 . . . . 0.0 112.689 175.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.416 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR 0.253 3.4 t70 150.54 -157.67 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.554 1 C-N-CA 133.817 4.847 . . . . 0.0 107.329 173.615 . . . . . . . . 4 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.53 -20.57 3.04 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 120.982 1.719 . . . . 0.0 114.016 171.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.33 -9.1 21.7 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.658 1.183 . . . . 0.0 113.677 172.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.411 ' HB ' ' H ' ' A' ' 21' ' ' VAL . 85.9 m -136.14 -39.05 0.68 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.762 1.625 . . . . 0.0 112.395 176.602 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.6 -37.61 82.8 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.849 1.26 . . . . 0.0 110.754 179.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -74.73 3.14 8.46 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 177.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.87 20.88 3.52 Favored 'General case' 0 N--CA 1.464 0.244 0 O-C-N 120.669 -1.27 . . . . 0.0 112.003 175.776 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.4 p -124.96 -41.55 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 124.248 1.019 . . . . 0.0 112.222 176.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -67.95 -28.12 67.19 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 124.341 1.056 . . . . 0.0 113.026 173.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -55.27 -32.3 62.27 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.586 1.155 . . . . 0.0 113.054 175.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -81.93 -49.6 10.11 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.816 0.846 . . . . 0.0 110.492 179.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -62.04 -42.01 98.73 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.241 1.017 . . . . 0.0 112.137 -179.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.35 -49.84 75.99 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.884 0.874 . . . . 0.0 111.831 177.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -64.78 -22.99 67.1 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 175.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -79.47 -28.29 41.53 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 119.398 0.999 . . . . 0.0 113.034 176.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 52.4 m-80 -78.27 -42.48 30.87 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 167.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.91 -2.03 6.33 Favored Glycine 0 CA--C 1.533 1.174 0 C-N-CA 128.415 2.912 . . . . 0.0 115.269 169.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.1 t -75.91 140.66 16.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 CA-C-N 118.656 1.228 . . . . 0.0 110.023 176.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -161.29 62.48 0.27 Allowed 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 122.69 1.233 . . . . 0.0 113.54 168.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.427 ' H ' HG23 ' A' ' 54' ' ' VAL . . . -82.56 -153.75 13.37 Favored Glycine 0 CA--C 1.535 1.282 0 C-N-CA 125.495 1.522 . . . . 0.0 116.41 174.325 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.22 134.72 55.32 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.191 1.396 . . . . 0.0 109.948 170.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 75.7 m95 -99.34 120.09 39.01 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.989 0.915 . . . . 0.0 112.077 -177.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.83 159.46 23.03 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 127.889 2.476 . . . . 0.0 109.951 -173.638 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -156.38 165.61 35.82 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.138 1.375 . . . . 0.0 111.189 -176.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -145.59 160.61 41.4 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.452 1.901 . . . . 0.0 110.585 -175.74 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.424 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 29.6 t70 -129.67 0.33 4.91 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 -178.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -85.42 -28.73 24.9 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 121.575 -0.703 . . . . 0.0 110.648 169.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.2 p -134.15 -11.48 2.54 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.371 1.468 . . . . 0.0 113.064 -171.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.424 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 0.9 OUTLIER 63.18 45.8 4.93 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 126.191 1.796 . . . . 0.0 112.543 178.491 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 96.8 m -115.13 107.91 15.94 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.45 1.1 . . . . 0.0 111.776 -173.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -66.73 163.84 18.3 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 122.301 1.048 . . . . 0.0 110.69 168.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 51.6 m -148.57 154.23 39.47 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.093 1.357 . . . . 0.0 107.851 169.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.427 HG23 ' H ' ' A' ' 41' ' ' GLY . 12.8 p -133.81 105.28 7.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 C-N-CA 125.195 1.398 . . . . 0.0 109.759 172.43 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 79.2 m . . . . . 0 N--CA 1.475 0.813 0 C-N-CA 124.03 0.932 . . . . 0.0 112.1 -169.691 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.47 0.556 0 N-CA-C 110.592 -0.151 . . . . 0.0 110.592 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 92.5 t -103.11 135.22 41.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 124.131 0.972 . . . . 0.0 110.352 -170.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -93.35 149.91 20.87 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 124.765 1.226 . . . . 0.0 110.104 169.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -151.9 145.43 15.92 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.281 0 CA-C-O 122.503 1.144 . . . . 0.0 112.241 171.734 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.83 0 N-CA-C 109.143 -1.583 . . . . 0.0 109.143 168.397 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.5 ptmm? . . . . . 0 N--CA 1.465 0.317 0 N-CA-C 115.804 1.779 . . . . 0.0 115.804 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.9 m -71.8 -34.75 69.63 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 116.108 1.892 . . . . 0.0 116.108 -167.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -68.48 -48.32 64.78 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 120.562 1.528 . . . . 0.0 110.732 175.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.4 pp -64.85 -33.82 76.92 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 119.57 -0.852 . . . . 0.0 111.82 176.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -57.99 -50.32 73.79 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.011 1.324 . . . . 0.0 112.12 175.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.6 -40.82 93.1 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 119.056 0.843 . . . . 0.0 110.878 174.111 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.21 -42.95 96.22 Favored 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 123.354 0.661 . . . . 0.0 111.795 -178.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.414 ' HB3' ' CZ ' ' A' ' 117' ' ' PHE . 11.7 m-85 -72.05 -62.77 1.31 Allowed 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 125.049 1.34 . . . . 0.0 112.104 175.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -56.31 -20.73 30.46 Favored Glycine 0 CA--C 1.545 1.948 0 N-CA-C 115.415 0.926 . . . . 0.0 115.415 -178.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -53.76 -51.14 64.34 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.796 1.638 . . . . 0.0 113.016 168.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -70.06 -40.75 74.87 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.647 0.779 . . . . 0.0 111.348 178.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -174.35 163.82 34.67 Favored Glycine 0 N--CA 1.472 1.098 0 CA-C-O 118.625 -1.097 . . . . 0.0 113.816 169.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -65.11 128.65 21.05 Favored 'Trans proline' 0 CA--C 1.533 0.442 0 CA-C-N 120.852 2.326 . . . . 0.0 114.36 -168.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 16.7 mt -65.04 154.31 38.15 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.506 1.522 . . . . 0.0 112.156 170.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -108.81 -31.11 7.82 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 126.432 1.893 . . . . 0.0 111.113 171.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 11.5 p -155.64 155.76 33.82 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.472 1.109 . . . . 0.0 111.565 168.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 67.6 t -138.3 135.38 44.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 125.281 1.432 . . . . 0.0 108.677 172.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 83.5 t90 -144.92 142.89 30.24 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 125.045 1.338 . . . . 0.0 111.342 -178.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 1.8 m -141.0 149.94 20.55 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 168.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.666 0 N-CA-C 116.284 1.957 . . . . 0.0 116.284 -169.198 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.552 1.027 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -170.33 174.81 5.1 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 125.686 1.594 . . . . 0.0 113.108 -167.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -147.83 150.2 33.73 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 113.234 0.827 . . . . 0.0 113.234 172.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 11.4 m -140.24 172.74 11.51 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.302 0 O-C-N 120.99 -1.069 . . . . 0.0 113.759 177.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -140.97 144.86 35.35 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 126.554 1.941 . . . . 0.0 108.504 171.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.414 ' CZ ' ' HB3' ' A' ' 94' ' ' PHE . 42.2 m-85 -116.04 158.27 23.4 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.352 1.061 . . . . 0.0 112.911 178.216 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 25.4 tp10 -74.49 -37.03 63.26 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -176.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -115.12 127.75 26.55 Favored Pre-proline 0 CA--C 1.544 0.744 0 C-N-CA 125.002 1.321 . . . . 0.0 107.804 169.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -49.09 -27.69 12.7 Favored 'Trans proline' 0 CA--C 1.537 0.671 0 C-N-CA 123.563 2.842 . . . . 0.0 114.698 169.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -26.81 65.42 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.064 0.946 . . . . 0.0 113.072 171.569 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -66.35 -47.26 74.03 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 119.473 1.033 . . . . 0.0 109.815 169.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.27 -39.84 88.25 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.207 0.603 . . . . 0.0 111.697 174.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.94 -48.52 73.8 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.496 0.719 . . . . 0.0 112.657 175.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -56.13 -45.9 79.41 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 119.228 0.922 . . . . 0.0 111.126 173.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.73 -58.25 8.77 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 124.164 0.985 . . . . 0.0 110.226 -179.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 39.2 t -51.36 -42.56 27.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 124.832 1.253 . . . . 0.0 112.318 175.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -65.68 -23.98 66.9 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.084 1.354 . . . . 0.0 113.762 -179.071 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -111.94 -14.2 13.52 Favored 'General case' 0 CA--C 1.552 1.044 0 N-CA-C 115.076 1.51 . . . . 0.0 115.076 173.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 73.9 mt -102.2 -4.98 24.91 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.124 1.77 . . . . 0.0 115.095 -174.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -56.73 168.77 0.56 Allowed 'General case' 0 CA--C 1.55 0.955 0 CA-C-N 119.549 1.068 . . . . 0.0 113.387 174.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -34.12 16.11 0.0 OUTLIER Glycine 0 N--CA 1.492 2.369 2 C-N-CA 133.29 5.233 . . . . 0.0 124.504 -172.132 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 31.9 mtt180 -69.87 -65.22 0.75 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 129.584 3.154 . . . . 0.0 109.512 177.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.3 t 170.73 173.51 0.07 Allowed 'General case' 0 CA--C 1.539 0.536 1 C-N-CA 132.423 4.289 . . . . 0.0 109.002 169.324 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 57.6 tp -149.91 -58.96 0.2 Allowed 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.328 1.051 . . . . 0.0 111.519 169.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 71.6 m -75.09 -17.12 60.51 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 175.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 114.94 31.47 2.08 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 124.657 1.122 . . . . 0.0 115.515 169.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 44.9 t -149.36 -73.75 0.17 Allowed 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 117.98 0.89 . . . . 0.0 109.731 169.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -126.66 158.78 35.47 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 126.093 1.757 . . . . 0.0 113.257 170.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 3.7 p -143.37 163.52 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.877 1.271 . . . . 0.0 110.85 167.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 35.4 mtp180 -143.37 132.57 23.17 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 129.315 3.046 . . . . 0.0 105.703 168.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 73.5 t -148.26 116.72 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-N 120.023 1.283 . . . . 0.0 108.371 173.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -142.53 -170.15 3.14 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.595 1.158 . . . . 0.0 110.562 -169.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 77.6 mt -103.03 146.68 27.99 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 120.765 -1.209 . . . . 0.0 109.245 168.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 58.7 m . . . . . 0 N--CA 1.468 0.43 0 C-N-CA 124.569 1.148 . . . . 0.0 113.553 -174.9 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 . . . . . 0 N--CA 1.473 0.684 0 CA-C-O 121.277 0.561 . . . . 0.0 112.286 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.433 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 94.5 m-85 -127.62 152.64 47.4 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 127.28 2.232 . . . . 0.0 108.799 -177.675 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -109.46 164.77 12.2 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.776 1.23 . . . . 0.0 111.638 -179.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -147.71 138.08 23.06 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 127.152 2.181 . . . . 0.0 110.717 178.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.6 mp -118.43 114.43 45.0 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 C-N-CA 126.652 1.981 . . . . 0.0 110.728 172.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.9 mt -85.84 67.65 10.1 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 126.896 2.078 . . . . 0.0 111.342 172.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 39.8 m-20 . . . . . 0 CA--C 1.56 1.333 0 O-C-N 120.775 -1.203 . . . . 0.0 114.174 173.954 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.47 0.568 0 N-CA-C 115.025 1.491 . . . . 0.0 115.025 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -163.68 -164.18 18.21 Favored Glycine 0 CA--C 1.521 0.416 0 N-CA-C 116.79 1.476 . . . . 0.0 116.79 171.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -157.54 159.75 37.48 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 126.122 1.769 . . . . 0.0 111.406 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.4 t -154.77 -175.95 5.68 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 125.736 1.615 . . . . 0.0 109.94 174.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 72.9 p -141.1 170.64 15.34 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 125.68 1.592 . . . . 0.0 110.302 174.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.4 t -157.05 153.53 28.06 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 121.327 -0.858 . . . . 0.0 111.827 172.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -81.37 120.13 24.57 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 167.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -143.24 175.45 9.88 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.915 1.686 . . . . 0.0 112.403 -176.043 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 66.3 t -77.83 -47.47 25.37 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 O-C-N 121.481 -0.762 . . . . 0.0 110.476 169.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.433 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 4.0 t70 176.32 -158.02 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 130.33 3.452 . . . . 0.0 106.412 -177.595 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.02 -20.2 2.29 Favored 'General case' 0 CA--C 1.547 0.853 0 O-C-N 120.239 -1.538 . . . . 0.0 113.957 169.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.4 -8.28 24.76 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.087 1.355 . . . . 0.0 113.821 173.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.3 m -137.69 -36.26 0.63 Allowed 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.802 1.641 . . . . 0.0 112.28 175.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.55 -37.38 87.37 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.779 1.231 . . . . 0.0 110.758 176.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -74.82 4.39 6.49 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 178.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.48 16.81 4.42 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 120.426 -1.421 . . . . 0.0 111.869 173.743 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.8 t -118.14 -51.23 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 125.36 1.464 . . . . 0.0 110.243 178.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -62.46 -25.72 68.14 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 177.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -57.31 -27.03 61.81 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.97 1.708 . . . . 0.0 113.537 174.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -79.39 -57.74 3.55 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 175.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -57.4 -41.4 80.22 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.916 0.886 . . . . 0.0 112.67 -177.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.17 -49.28 78.24 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 124.157 0.983 . . . . 0.0 112.532 179.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -65.01 -25.31 67.8 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 178.17 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -80.91 -27.87 36.07 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 59.8 m-80 -81.17 -37.74 28.25 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 168.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.3 9.64 10.28 Favored Glycine 0 CA--C 1.534 1.27 0 C-N-CA 127.911 2.672 . . . . 0.0 115.681 169.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 60.6 t -84.94 149.83 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 124.376 1.07 . . . . 0.0 110.574 170.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -161.69 32.7 0.13 Allowed 'General case' 0 CA--C 1.555 1.138 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 169.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.08 -131.69 0.38 Allowed Glycine 0 CA--C 1.545 1.968 0 N-CA-C 117.364 1.705 . . . . 0.0 117.364 -173.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -69.7 81.5 0.43 Allowed 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.111 1.364 . . . . 0.0 113.126 -174.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 72.5 m95 -60.4 108.22 0.78 Allowed 'General case' 0 N--CA 1.466 0.345 0 O-C-N 120.191 -1.568 . . . . 0.0 110.449 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.82 164.41 20.08 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 126.607 1.963 . . . . 0.0 111.271 -172.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -149.27 156.95 42.9 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.095 1.358 . . . . 0.0 110.657 175.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -126.78 124.07 38.86 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 125.233 1.413 . . . . 0.0 108.355 171.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.432 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.8 OUTLIER -84.77 -7.07 59.34 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 114.104 1.15 . . . . 0.0 114.104 -173.377 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -101.41 -29.05 12.24 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.333 1.453 . . . . 0.0 112.097 -177.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.8 t -113.22 2.05 15.45 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.496 0.718 . . . . 0.0 112.839 171.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.432 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 4.6 mmpt? 53.95 40.38 31.52 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.009 1.724 . . . . 0.0 112.47 169.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 73.0 m -125.12 114.23 18.76 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.047 1.339 . . . . 0.0 110.096 -170.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -67.47 161.19 25.95 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.538 1.135 . . . . 0.0 111.889 169.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.0 m -146.09 158.95 43.89 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 125.546 1.539 . . . . 0.0 107.834 169.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.3 p -153.98 94.15 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 124.979 1.312 . . . . 0.0 110.087 176.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 28.9 m . . . . . 0 N--CA 1.475 0.786 0 C-N-CA 124.191 0.996 . . . . 0.0 110.95 -178.515 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 36.4 mttm . . . . . 0 N--CA 1.467 0.398 0 N-CA-C 108.793 -0.818 . . . . 0.0 108.793 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . 0.252 0.2 OUTLIER -145.12 162.49 13.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 CA-C-O 122.83 1.3 . . . . 0.0 111.002 -169.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -125.51 145.54 50.05 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 128.414 2.686 . . . . 0.0 109.211 -175.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.9 p -143.18 136.69 25.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 122.925 0.49 . . . . 0.0 110.83 170.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.7 0 N-CA-C 117.259 1.664 . . . . 0.0 117.259 178.62 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.7 ptmm? . . . . . 0 N--CA 1.473 0.698 0 N-CA-C 116.565 2.061 . . . . 0.0 116.565 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 37.6 m -45.38 -49.18 13.27 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 126.165 1.786 . . . . 0.0 114.802 -170.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -75.97 -46.81 27.72 Favored 'General case' 0 CA--C 1.533 0.304 0 O-C-N 121.328 -0.857 . . . . 0.0 111.964 -177.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.4 pp -64.4 -29.73 70.78 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 119.19 0.905 . . . . 0.0 112.042 176.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -67.22 -43.5 81.87 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.818 1.647 . . . . 0.0 111.7 176.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.3 ppt_? -68.81 -36.93 78.83 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 119.443 1.019 . . . . 0.0 111.27 169.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.14 -37.27 86.54 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 119.337 0.972 . . . . 0.0 111.958 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -72.75 -65.18 0.83 Allowed 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 125.624 1.57 . . . . 0.0 111.489 172.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.49 -14.79 29.43 Favored Glycine 0 CA--C 1.543 1.824 0 N-CA-C 115.991 1.156 . . . . 0.0 115.991 -178.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -54.14 -48.51 70.76 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.729 1.612 . . . . 0.0 111.827 167.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -64.91 -49.41 70.55 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.641 0.776 . . . . 0.0 109.44 172.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 176.03 166.32 33.22 Favored Glycine 0 N--CA 1.473 1.163 0 N-CA-C 115.741 1.057 . . . . 0.0 115.741 169.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -48.89 151.54 5.43 Favored 'Trans proline' 0 CA--C 1.535 0.539 0 C-N-CA 123.981 3.121 . . . . 0.0 117.943 -168.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 13.6 mt -116.23 132.88 56.54 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 127.443 2.297 . . . . 0.0 109.68 -170.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 85.8 mtm-85 -81.43 -35.84 30.15 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.265 0.626 . . . . 0.0 112.46 170.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.7 m -158.52 155.92 29.29 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.742 1.217 . . . . 0.0 112.155 175.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 88.4 t -141.76 134.05 28.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 C-N-CA 125.988 1.715 . . . . 0.0 106.901 169.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 80.6 t90 -136.06 133.91 37.89 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 125.252 1.421 . . . . 0.0 109.3 -177.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.4 m -137.58 143.88 32.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 O-C-N 121.428 -0.795 . . . . 0.0 110.575 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.564 0 C-N-CA 123.371 0.669 . . . . 0.0 110.192 179.216 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . 0.255 0.2 OUTLIER . . . . . 0 CA--C 1.54 0.565 0 CA-C-O 121.711 0.767 . . . . 0.0 112.843 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -164.68 163.97 21.47 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.922 2.089 . . . . 0.0 111.082 -169.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -133.59 156.78 47.23 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.121 1.369 . . . . 0.0 110.863 -178.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -154.65 151.34 10.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 O-C-N 121.386 -0.821 . . . . 0.0 112.074 -168.708 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 53.4 tt0 -138.45 114.11 9.79 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.026 1.33 . . . . 0.0 109.988 169.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -79.68 160.74 26.19 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.634 1.174 . . . . 0.0 113.386 176.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -67.28 -31.74 72.26 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.54 0.736 . . . . 0.0 112.706 171.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -129.57 124.88 22.14 Favored Pre-proline 0 CA--C 1.547 0.844 0 C-N-CA 126.144 1.778 . . . . 0.0 109.589 -174.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -48.57 -29.89 15.01 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 123.609 2.873 . . . . 0.0 114.85 170.255 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -77.04 -27.6 54.54 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.824 0.85 . . . . 0.0 112.63 175.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -68.55 -43.06 77.46 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 120.27 1.396 . . . . 0.0 110.263 168.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.63 -37.46 78.71 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 118.886 -0.578 . . . . 0.0 112.267 169.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.06 -46.31 81.71 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 119.634 1.106 . . . . 0.0 112.823 174.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -57.31 -42.12 81.21 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.166 0.894 . . . . 0.0 111.79 174.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.71 -52.83 62.66 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.5 0.72 . . . . 0.0 111.486 172.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 38.1 t -58.8 -15.8 7.14 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 126.379 1.872 . . . . 0.0 114.272 175.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.76 9.09 12.88 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 125.512 1.525 . . . . 0.0 114.838 178.238 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -135.62 -28.87 1.08 Allowed 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 115.397 1.628 . . . . 0.0 115.397 168.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 96.1 mt -85.5 -9.51 57.33 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.432 1.493 . . . . 0.0 113.216 176.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -68.23 162.83 24.13 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.575 1.95 . . . . 0.0 115.99 -175.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 41.88 -11.53 0.0 OUTLIER Glycine 0 N--CA 1.478 1.457 2 N-CA-C 124.543 4.577 . . . . 0.0 124.543 168.249 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 48.1 mtm-85 -106.91 -78.09 0.59 Allowed 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 121.087 2.443 . . . . 0.0 110.81 -169.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -176.0 176.33 1.79 Allowed 'General case' 0 C--O 1.235 0.313 0 C-N-CA 128.785 2.834 . . . . 0.0 108.727 176.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -151.78 -58.27 0.15 Allowed 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.559 0.744 . . . . 0.0 110.767 172.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 47.6 t -86.34 -51.21 6.38 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.181 0.593 . . . . 0.0 110.546 173.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 160.64 57.19 0.01 OUTLIER Glycine 0 C--N 1.343 0.972 0 N-CA-C 115.841 1.097 . . . . 0.0 115.841 175.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 8.2 t -145.3 -129.39 0.08 Allowed 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.441 1.096 . . . . 0.0 111.894 171.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.62 59.07 1.71 Allowed 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 127.223 2.209 . . . . 0.0 109.648 -174.059 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -58.05 159.59 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 C-N-CA 128.312 2.645 . . . . 0.0 113.748 -169.302 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.16 143.84 23.57 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 128.223 2.609 . . . . 0.0 107.492 177.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 95.7 t -142.63 128.81 17.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 N-CA-C 107.853 -1.166 . . . . 0.0 107.853 -169.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -138.54 169.6 17.51 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 119.139 0.881 . . . . 0.0 111.565 -178.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -104.82 151.76 23.42 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 120.915 -1.116 . . . . 0.0 111.772 176.401 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.6 p . . . . . 0 N--CA 1.476 0.856 0 C-N-CA 128.178 2.591 . . . . 0.0 116.392 -173.06 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 . . . . . 0 CA--C 1.545 0.765 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.429 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 85.3 m-85 -126.8 156.52 41.14 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 127.791 2.436 . . . . 0.0 108.851 177.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -108.89 160.32 16.09 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.965 1.306 . . . . 0.0 111.544 -179.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 18.1 tp -141.75 137.77 31.85 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 126.481 1.912 . . . . 0.0 109.442 171.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mp -111.93 139.96 33.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 126.128 1.771 . . . . 0.0 107.584 169.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.3 mp -123.23 66.96 0.99 Allowed 'General case' 0 N--CA 1.444 -0.748 0 C-N-CA 128.994 2.917 . . . . 0.0 108.214 -177.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 . . . . . 0 CA--C 1.555 1.145 0 C-N-CA 126.747 2.019 . . . . 0.0 115.653 174.533 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.101 0 N-CA-C 121.375 3.843 . . . . 0.0 121.375 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -171.86 -158.52 16.14 Favored Glycine 0 CA--C 1.537 1.43 0 N-CA-C 118.778 2.271 . . . . 0.0 118.778 169.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -156.77 161.55 39.78 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 126.71 2.004 . . . . 0.0 112.733 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.7 t -160.28 -175.78 5.25 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 126.97 2.108 . . . . 0.0 110.839 -177.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 67.2 p -144.66 170.58 15.81 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 126.313 1.845 . . . . 0.0 111.246 175.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.2 t -156.63 150.5 24.88 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.065 0.946 . . . . 0.0 111.621 171.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.3 tp10 -76.31 120.01 20.98 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 167.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -140.9 175.13 9.86 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.174 1.39 . . . . 0.0 112.972 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 90.0 t -78.7 -47.42 23.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 O-C-N 121.283 -0.885 . . . . 0.0 110.685 169.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.429 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 5.2 t70 176.22 -156.48 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 131.184 3.794 . . . . 0.0 106.083 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.76 -20.18 2.02 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 120.937 1.699 . . . . 0.0 114.004 169.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.69 -7.93 18.07 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.581 1.152 . . . . 0.0 113.733 172.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 52.1 m -138.9 -39.13 0.5 Allowed 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.9 1.68 . . . . 0.0 112.249 176.1 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.86 -39.56 90.87 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.071 1.348 . . . . 0.0 110.86 178.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -73.9 2.14 9.2 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 178.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.33 19.43 4.83 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 125.101 1.36 . . . . 0.0 111.708 173.448 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.2 t -121.09 -51.95 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 125.285 1.434 . . . . 0.0 109.943 177.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -60.72 -28.65 68.83 Favored 'General case' 0 C--O 1.224 -0.247 0 C-N-CA 123.245 0.618 . . . . 0.0 112.585 176.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -54.78 -31.08 58.36 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.482 1.113 . . . . 0.0 113.084 176.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -83.94 -49.97 8.47 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.46 0.704 . . . . 0.0 110.825 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -62.46 -40.35 96.35 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.156 0.982 . . . . 0.0 111.736 179.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.49 -42.87 95.6 Favored 'General case' 0 N--CA 1.452 -0.351 0 O-C-N 121.19 -0.944 . . . . 0.0 112.549 178.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -67.56 -21.08 65.46 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 172.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -82.13 -30.37 31.15 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.428 1.013 . . . . 0.0 112.864 175.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -75.31 -43.47 50.68 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 168.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.05 3.5 8.18 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 128.753 3.073 . . . . 0.0 114.817 169.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.6 t -81.23 140.8 16.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 CA-C-N 118.528 1.164 . . . . 0.0 110.634 -179.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -159.54 47.65 0.29 Allowed 'General case' 0 CA--C 1.554 1.1 0 CA-C-O 122.286 1.041 . . . . 0.0 113.131 171.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -89.98 -130.29 4.17 Favored Glycine 0 CA--C 1.539 1.56 0 C-N-CA 125.27 1.414 . . . . 0.0 114.668 176.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -67.53 82.94 0.17 Allowed 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 124.947 1.299 . . . . 0.0 114.028 -172.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -63.34 104.0 0.56 Allowed 'General case' 0 N--CA 1.471 0.579 0 O-C-N 119.907 -1.746 . . . . 0.0 110.747 177.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 64.7 m -128.06 161.42 29.24 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 127.385 2.274 . . . . 0.0 109.46 -169.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -156.07 164.49 38.36 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.854 1.661 . . . . 0.0 110.301 -174.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -142.71 153.21 43.15 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.131 1.772 . . . . 0.0 110.205 -173.348 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.404 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -124.83 5.12 8.08 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 -177.388 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -93.15 -29.74 15.59 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.926 1.291 . . . . 0.0 110.486 169.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -130.41 -7.87 4.2 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.572 0.952 . . . . 0.0 113.572 -176.23 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.404 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 1.7 mmpt? 60.56 45.52 10.46 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.048 1.739 . . . . 0.0 112.763 179.327 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 72.4 m -119.11 111.76 18.67 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.072 0.949 . . . . 0.0 111.538 -173.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -65.37 159.92 23.01 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 122.059 0.933 . . . . 0.0 111.361 168.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.8 m -146.45 150.55 35.83 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 125.35 1.46 . . . . 0.0 108.35 170.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.3 p -146.94 122.99 2.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 C-N-CA 126.181 1.793 . . . . 0.0 107.872 173.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.8 m . . . . . 0 N--CA 1.486 1.34 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -169.111 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 11.0 ptpp? . . . . . 0 N--CA 1.482 1.169 0 N-CA-C 116.172 1.916 . . . . 0.0 116.172 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.7 t -66.37 141.59 17.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 O-C-N 120.763 -1.211 . . . . 0.0 110.677 175.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -97.94 156.89 16.41 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 125.039 1.335 . . . . 0.0 110.38 171.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -156.25 159.28 2.85 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.272 0 CA-C-O 121.978 0.894 . . . . 0.0 112.355 175.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.248 0 C-N-CA 124.478 1.037 . . . . 0.0 113.215 169.235 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.3 ptmm? . . . . . 0 N--CA 1.471 0.607 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 32.4 m -47.19 -58.58 3.91 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 125.579 1.552 . . . . 0.0 113.997 -170.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.92 -56.07 17.95 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 122.783 0.433 . . . . 0.0 110.238 -176.334 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.7 pp -64.6 -33.32 75.65 Favored 'General case' 0 C--O 1.218 -0.561 0 O-C-N 123.284 0.365 . . . . 0.0 111.254 -174.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -60.99 -46.86 89.03 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 125.509 1.524 . . . . 0.0 112.121 175.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.68 -35.84 75.47 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 119.442 1.019 . . . . 0.0 112.249 171.595 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.61 -38.95 93.07 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 118.872 0.76 . . . . 0.0 112.062 -179.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.466 ' CD2' HG21 ' A' ' 115' ' ' VAL . 10.6 m-85 -72.54 -60.67 2.12 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 125.964 1.705 . . . . 0.0 111.742 174.494 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -64.5 -15.07 58.83 Favored Glycine 0 CA--C 1.54 1.646 0 C-N-CA 120.682 -0.77 . . . . 0.0 114.932 -175.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -53.44 -46.88 70.03 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.331 1.452 . . . . 0.0 111.822 167.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -70.73 -45.93 63.97 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.856 0.862 . . . . 0.0 110.605 174.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -175.13 153.88 16.69 Favored Glycine 0 N--CA 1.477 1.407 0 CA-C-O 118.253 -1.304 . . . . 0.0 115.116 171.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -50.4 155.98 4.48 Favored 'Trans proline' 0 CA--C 1.539 0.732 0 C-N-CA 123.416 2.744 . . . . 0.0 116.668 -169.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 17.4 mt -118.04 143.34 46.5 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.272 1.829 . . . . 0.0 110.471 -173.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 21.4 ttp-105 -100.49 -38.34 8.43 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.795 1.638 . . . . 0.0 111.993 -179.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 14.4 m -143.18 147.08 34.33 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 125.194 1.397 . . . . 0.0 110.186 171.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 11.2 t -147.36 130.24 8.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 N-CA-C 106.964 -1.495 . . . . 0.0 106.964 175.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 87.2 t90 -146.55 145.37 30.11 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 123.904 0.881 . . . . 0.0 111.348 -169.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -143.48 141.04 26.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 O-C-N 121.452 -0.78 . . . . 0.0 108.957 168.512 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.688 0 CA-C-O 120.984 0.421 . . . . 0.0 110.865 -172.684 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.545 0.753 0 N-CA-C 106.713 -1.588 . . . . 0.0 106.713 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -146.59 172.99 12.74 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.09 1.356 . . . . 0.0 114.102 -168.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -144.76 158.88 43.61 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.949 1.7 . . . . 0.0 113.265 176.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.466 HG21 ' CD2' ' A' ' 94' ' ' PHE . 1.4 t -145.06 159.24 13.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 125.481 1.512 . . . . 0.0 112.473 -179.36 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 75.8 tt0 -140.53 104.1 4.68 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 126.701 2.001 . . . . 0.0 109.408 169.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.401 ' CZ ' ' HB3' ' A' ' 94' ' ' PHE . 9.3 m-85 -78.87 157.04 28.39 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 -179.444 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -88.25 8.68 26.08 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 126.097 1.759 . . . . 0.0 113.495 173.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -159.62 131.61 4.2 Favored Pre-proline 0 CA--C 1.547 0.856 0 O-C-N 120.651 -1.281 . . . . 0.0 111.864 176.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_endo -74.93 -28.57 9.19 Favored 'Trans proline' 0 CA--C 1.539 0.728 0 C-N-CA 122.778 2.319 . . . . 0.0 114.212 -175.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . 0.251 0.0 OUTLIER -82.93 -27.3 30.67 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 119.94 1.245 . . . . 0.0 112.527 176.79 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -73.96 -36.19 64.57 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 119.15 0.886 . . . . 0.0 110.504 169.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.89 -41.16 95.48 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 118.875 0.761 . . . . 0.0 111.17 169.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.84 -44.72 88.86 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.796 -0.565 . . . . 0.0 112.175 173.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -62.45 -37.58 86.46 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.09 0.956 . . . . 0.0 112.187 177.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.86 -55.49 25.71 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.877 1.271 . . . . 0.0 110.256 172.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 42.3 t -52.87 -30.77 16.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 124.878 1.271 . . . . 0.0 112.946 172.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -79.22 -23.53 43.71 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 127.272 2.229 . . . . 0.0 113.387 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -124.97 1.09 8.0 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 -176.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 96.1 mt -114.2 13.58 17.99 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.726 1.61 . . . . 0.0 112.731 179.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -53.17 156.62 2.16 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 126.302 1.841 . . . . 0.0 115.521 -177.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -49.46 -6.0 0.06 OUTLIER Glycine 0 CA--C 1.543 1.782 0 N-CA-C 122.315 3.686 . . . . 0.0 122.315 -168.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.407 ' HD2' ' H ' ' A' ' 134' ' ' THR . 1.4 ppt_? -70.95 -39.27 72.71 Favored 'General case' 0 N--CA 1.482 1.155 0 CA-C-N 119.853 1.826 . . . . 0.0 114.702 -173.496 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' THR . . . . . 0.407 ' H ' ' HD2' ' A' ' 133' ' ' ARG . 1.3 m 174.55 138.64 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 128.172 2.589 . . . . 0.0 110.111 -175.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 49.0 tp -147.14 -58.91 0.27 Allowed 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 126.071 1.748 . . . . 0.0 108.288 168.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 75.2 m -70.88 -41.91 70.71 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.387 1.075 . . . . 0.0 112.251 171.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 161.0 -2.04 0.08 OUTLIER Glycine 0 CA--C 1.538 1.526 0 N-CA-C 117.715 1.846 . . . . 0.0 117.715 169.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 6.2 t -149.47 -157.12 0.78 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 126.19 1.796 . . . . 0.0 109.129 178.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -41.0 109.63 0.12 Allowed 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 126.86 2.064 . . . . 0.0 110.848 171.148 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 27.5 m -114.96 -178.32 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 124.315 1.046 . . . . 0.0 110.503 169.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.89 148.68 32.05 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.651 1.181 . . . . 0.0 109.933 169.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 54.0 t -152.08 124.74 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 N-CA-C 105.797 -1.927 . . . . 0.0 105.797 167.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . 0.408 ' HG2' ' H ' ' A' ' 144' ' ' LEU . 9.7 tt0 -149.79 -160.84 1.23 Allowed 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.196 0.907 . . . . 0.0 110.964 -174.438 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.408 ' H ' ' HG2' ' A' ' 143' ' ' GLU . 98.2 mt -120.79 142.97 49.09 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 120.754 -1.216 . . . . 0.0 109.416 172.355 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 22.8 t . . . . . 0 N--CA 1.477 0.915 0 N-CA-C 115.699 1.74 . . . . 0.0 115.699 -173.259 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.545 0.78 0 CA-C-O 121.123 0.487 . . . . 0.0 111.949 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.415 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 92.5 m-85 -129.58 150.07 51.07 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 127.63 2.372 . . . . 0.0 108.962 179.195 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -101.13 161.97 13.23 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.794 1.238 . . . . 0.0 111.325 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.9 tp -142.96 140.18 30.97 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 126.642 1.977 . . . . 0.0 109.859 171.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mp -112.96 134.37 55.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.843 1.657 . . . . 0.0 109.204 169.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.3 mp -110.91 66.44 0.63 Allowed 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 127.779 2.432 . . . . 0.0 109.414 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 . . . . . 0 CA--C 1.55 0.978 0 C-N-CA 124.172 0.989 . . . . 0.0 110.918 169.449 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.05 0 N-CA-C 120.886 3.662 . . . . 0.0 120.886 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -168.63 -163.53 22.79 Favored Glycine 0 N--CA 1.473 1.133 0 N-CA-C 119.006 2.363 . . . . 0.0 119.006 169.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -155.6 158.09 37.81 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 126.249 1.82 . . . . 0.0 112.213 174.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.0 t -157.73 -177.46 6.59 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 126.639 1.976 . . . . 0.0 110.292 -174.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 75.9 p -143.82 169.34 17.97 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.318 1.447 . . . . 0.0 111.11 174.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.7 t -154.67 152.58 30.12 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.397 1.079 . . . . 0.0 111.278 172.062 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.2 tp10 -79.94 117.44 20.79 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.795 0.838 . . . . 0.0 108.749 168.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -138.57 178.76 6.9 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.229 1.412 . . . . 0.0 113.363 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.431 ' H ' ' HB ' ' A' ' 25' ' ' THR . 96.8 t -79.48 -49.0 20.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 O-C-N 121.258 -0.901 . . . . 0.0 110.532 169.445 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.415 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 5.2 t70 176.75 -157.0 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 131.101 3.76 . . . . 0.0 105.8 -179.03 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.86 -19.94 1.99 Allowed 'General case' 0 CA--C 1.549 0.909 0 O-C-N 119.94 -1.725 . . . . 0.0 113.934 169.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.75 -8.18 19.78 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.479 1.112 . . . . 0.0 113.999 172.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.431 ' HB ' ' H ' ' A' ' 21' ' ' VAL . 21.9 m -140.52 -37.17 0.46 Allowed 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.357 1.463 . . . . 0.0 112.239 176.458 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.6 -38.16 86.41 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.639 1.176 . . . . 0.0 110.931 177.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -72.91 2.26 7.18 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 114.515 1.302 . . . . 0.0 114.515 178.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.411 ' HE3' HG22 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -131.94 18.58 4.6 Favored 'General case' 0 C--O 1.226 -0.18 0 C-N-CA 124.871 1.269 . . . . 0.0 111.793 173.158 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.411 HG22 ' HE3' ' A' ' 28' ' ' LYS . 4.3 t -117.48 -52.1 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 124.799 1.24 . . . . 0.0 110.062 175.661 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -60.67 -28.64 68.76 Favored 'General case' 0 C--O 1.225 -0.2 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.918 178.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -54.73 -31.43 58.26 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.206 1.002 . . . . 0.0 112.811 174.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -79.77 -53.0 7.21 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 118.729 0.695 . . . . 0.0 110.948 176.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -62.51 -42.54 99.58 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.281 1.032 . . . . 0.0 111.822 -175.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.36 -48.33 78.38 Favored 'General case' 0 N--CA 1.45 -0.442 0 O-C-N 121.353 -0.842 . . . . 0.0 112.396 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -67.36 -16.27 64.15 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 176.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -83.91 -31.34 25.7 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.314 0.961 . . . . 0.0 112.888 173.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 58.8 m-80 -74.16 -37.33 64.02 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 168.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 120.35 -3.52 12.47 Favored Glycine 0 N--CA 1.438 -1.194 0 C-N-CA 128.472 2.939 . . . . 0.0 114.096 171.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.8 t -76.86 138.38 20.69 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.764 0 CA-C-N 118.908 1.354 . . . . 0.0 109.417 175.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -157.24 35.44 0.28 Allowed 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 173.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.63 -161.16 0.05 OUTLIER Glycine 0 CA--C 1.528 0.876 0 N-CA-C 117.065 1.586 . . . . 0.0 117.065 174.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.97 123.02 15.17 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.607 0.763 . . . . 0.0 109.365 171.571 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 77.1 m95 -90.43 123.43 34.14 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.097 0.959 . . . . 0.0 111.171 -178.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.97 162.32 23.64 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 127.77 2.428 . . . . 0.0 110.193 -172.236 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -153.77 168.65 25.57 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.322 1.449 . . . . 0.0 110.533 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -144.87 164.46 31.02 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.114 1.766 . . . . 0.0 110.524 -177.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.413 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 22.9 t70 -133.11 -1.95 3.22 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 -179.437 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.07 -28.79 32.18 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.63 -0.669 . . . . 0.0 110.339 169.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.5 p -135.09 -12.34 2.18 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.703 1.601 . . . . 0.0 113.08 -172.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.413 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 0.8 OUTLIER 63.34 46.92 4.19 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.807 1.643 . . . . 0.0 112.235 177.201 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 74.7 m -116.46 110.63 18.88 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.019 1.328 . . . . 0.0 111.487 -173.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -64.57 162.09 16.21 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 122.231 1.015 . . . . 0.0 111.145 168.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 24.3 m -147.96 155.78 41.94 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 169.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.5 p -138.6 109.41 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 C-N-CA 125.602 1.561 . . . . 0.0 107.874 170.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 98.6 m . . . . . 0 N--CA 1.478 0.943 0 C-N-CA 124.731 1.212 . . . . 0.0 111.621 -169.591 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 58.4 mttp . . . . . 0 N--CA 1.478 0.941 0 CA-C-O 121.233 0.539 . . . . 0.0 110.379 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . 0.293 0.5 OUTLIER -124.5 132.68 70.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 CA-C-O 122.731 1.253 . . . . 0.0 111.2 176.565 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -84.59 145.82 27.84 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 126.363 1.865 . . . . 0.0 109.773 176.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.3 p -143.84 133.72 20.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 121.194 0.521 . . . . 0.0 110.665 170.195 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.874 0 N-CA-C 116.199 1.24 . . . . 0.0 116.199 179.399 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.0 ptmm? . . . . . 0 C--O 1.22 -0.468 0 N-CA-C 115.239 1.57 . . . . 0.0 115.239 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 85.5 m -45.98 -63.97 0.85 Allowed 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 115.769 1.766 . . . . 0.0 115.769 -169.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -71.82 -47.79 50.78 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 119.992 1.269 . . . . 0.0 111.136 -176.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.1 pp -60.83 -34.45 74.58 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-N 119.361 0.982 . . . . 0.0 112.211 -179.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -64.6 -46.0 84.55 Favored 'General case' 0 C--O 1.236 0.343 0 O-C-N 120.778 -1.202 . . . . 0.0 111.987 175.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.02 -36.55 84.74 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 119.543 1.065 . . . . 0.0 111.902 170.488 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -68.58 -39.76 80.81 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.134 0.974 . . . . 0.0 112.421 -176.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.411 ' CE1' ' CD1' ' A' ' 130' ' ' LEU . 14.6 m-85 -71.26 -61.74 1.66 Allowed 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 125.059 1.344 . . . . 0.0 110.819 173.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -58.7 -18.32 38.12 Favored Glycine 0 CA--C 1.548 2.101 0 N-CA-C 115.486 0.954 . . . . 0.0 115.486 179.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -55.85 -50.26 71.08 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.684 1.594 . . . . 0.0 112.559 168.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -63.99 -41.67 97.44 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.149 0.58 . . . . 0.0 110.02 173.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 176.25 157.62 17.87 Favored Glycine 0 N--CA 1.475 1.278 0 CA-C-O 118.495 -1.17 . . . . 0.0 114.373 168.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_exo -49.31 130.51 25.08 Favored 'Trans proline' 0 CA--C 1.531 0.349 0 C-N-CA 123.229 2.619 . . . . 0.0 116.455 -169.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 18.0 mt -72.88 167.47 20.91 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 113.438 -1.71 . . . . 0.0 111.446 169.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -123.64 -23.8 4.66 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.063 1.745 . . . . 0.0 111.834 171.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.5 t -161.71 156.97 23.69 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.129 1.372 . . . . 0.0 111.68 168.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 60.3 t -145.82 131.99 13.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 126.241 1.816 . . . . 0.0 108.421 178.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 90.7 t90 -142.18 143.73 33.08 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.29 1.436 . . . . 0.0 110.988 -176.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -143.29 148.44 19.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 O-C-N 121.114 -0.991 . . . . 0.0 110.496 172.369 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.889 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 -175.144 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.542 0.636 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -162.18 170.77 18.5 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.031 1.332 . . . . 0.0 112.313 -170.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -142.89 145.08 32.75 Favored 'General case' 0 N--CA 1.48 1.038 0 O-C-N 121.468 -0.77 . . . . 0.0 111.741 170.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 32.8 m -138.01 170.08 17.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 CA-C-O 122.214 1.007 . . . . 0.0 113.367 -174.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -147.99 128.31 13.9 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 126.11 1.764 . . . . 0.0 108.578 -169.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -115.14 153.76 30.2 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 113.294 0.849 . . . . 0.0 113.294 -171.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -82.49 -12.37 57.85 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.309 1.044 . . . . 0.0 113.308 -179.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -146.63 135.41 11.12 Favored Pre-proline 0 CA--C 1.552 1.02 0 C-N-CA 125.14 1.376 . . . . 0.0 111.664 -173.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -75.4 -29.16 7.89 Favored 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 123.208 2.605 . . . . 0.0 115.338 -171.09 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . 0.263 0.0 OUTLIER -86.46 -26.84 24.46 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 119.91 1.232 . . . . 0.0 112.151 178.168 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -68.66 -43.09 76.92 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 123.313 0.645 . . . . 0.0 109.98 168.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.89 -44.28 91.14 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.666 0.787 . . . . 0.0 112.081 170.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.94 -43.65 92.02 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 177.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -59.37 -38.98 81.82 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 119.443 1.02 . . . . 0.0 111.87 172.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.48 -54.73 27.9 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 118.123 0.42 . . . . 0.0 110.911 175.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -58.87 -20.29 16.79 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 125.823 1.649 . . . . 0.0 114.247 179.713 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 14.7 ttp85 -103.58 -24.07 13.43 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 126.111 1.764 . . . . 0.0 114.357 -178.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -112.16 -24.9 9.59 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 119.695 1.134 . . . . 0.0 113.105 -175.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.411 ' CD1' ' CE1' ' A' ' 94' ' ' PHE . 57.8 mt -70.49 -28.26 64.83 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 119.275 0.943 . . . . 0.0 111.348 168.427 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -68.47 134.53 50.25 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -170.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 59.46 16.02 34.35 Favored Glycine 0 CA--C 1.539 1.535 0 C-N-CA 126.033 1.778 . . . . 0.0 115.354 179.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 11.0 ttt-85 -84.81 -66.68 0.87 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 126.31 1.844 . . . . 0.0 113.519 -168.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 19.5 m 136.1 131.95 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.215 1 C-N-CA 133.883 4.873 . . . . 0.0 106.873 -172.231 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 15.1 tp -164.27 134.74 4.18 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 106.569 -1.641 . . . . 0.0 106.569 -178.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 44.1 t 59.51 -38.47 0.07 Allowed 'General case' 0 CA--C 1.556 1.176 0 C-N-CA 127.159 2.184 . . . . 0.0 114.499 -168.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 148.68 26.37 0.07 OUTLIER Glycine 0 CA--C 1.536 1.358 0 C-N-CA 125.94 1.733 . . . . 0.0 116.965 169.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.1 t -141.69 -176.91 4.94 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 119.469 1.634 . . . . 0.0 112.869 176.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -72.19 55.54 0.32 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 129.455 3.102 . . . . 0.0 112.561 -176.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 10.8 p -50.22 131.16 9.72 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 C-N-CA 126.589 1.956 . . . . 0.0 111.325 -172.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.91 126.06 35.15 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 126.411 1.884 . . . . 0.0 106.254 -175.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 57.6 t -132.69 135.87 56.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 123.764 0.826 . . . . 0.0 110.399 -167.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -143.47 166.76 23.9 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 120.887 -1.133 . . . . 0.0 112.963 -176.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -81.73 134.2 35.43 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 169.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.475 0.818 0 N-CA-C 115.501 1.667 . . . . 0.0 115.501 -168.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 . . . . . 0 CA--C 1.544 0.736 0 CA-C-O 120.879 0.371 . . . . 0.0 110.818 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.436 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 88.0 m-85 -123.31 154.26 39.13 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 127.204 2.202 . . . . 0.0 109.088 -176.56 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -105.35 160.77 14.86 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.221 1.009 . . . . 0.0 111.551 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -146.35 135.34 22.54 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 126.429 1.892 . . . . 0.0 110.379 175.566 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.4 mp -114.48 112.26 39.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 126.635 1.974 . . . . 0.0 110.252 172.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 82.9 mt -82.81 72.94 9.88 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 126.316 1.847 . . . . 0.0 110.225 169.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 41.4 m-20 . . . . . 0 CA--C 1.564 1.505 0 C-N-CA 125.01 1.324 . . . . 0.0 114.422 172.513 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.764 0 N-CA-C 117.122 2.267 . . . . 0.0 117.122 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -163.95 -165.96 22.03 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 116.838 1.495 . . . . 0.0 116.838 169.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -154.13 155.86 36.15 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.466 1.506 . . . . 0.0 111.776 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.9 t -157.78 -173.17 4.24 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 125.853 1.661 . . . . 0.0 109.419 179.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 66.6 p -139.5 172.52 12.68 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.209 1.403 . . . . 0.0 110.514 175.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.5 t -157.17 149.77 23.25 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.192 0.997 . . . . 0.0 110.805 177.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.3 tp10 -80.29 114.36 19.14 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 169.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -132.36 177.18 7.79 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.724 1.609 . . . . 0.0 112.838 178.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.463 ' H ' ' HB ' ' A' ' 25' ' ' THR . 46.7 t -86.9 -37.23 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 O-C-N 121.172 -0.955 . . . . 0.0 111.928 172.596 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.436 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 3.8 t70 174.54 -157.16 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 130.865 3.666 . . . . 0.0 106.882 173.47 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.8 -22.49 2.18 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 120.408 1.458 . . . . 0.0 113.864 169.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.6 -6.69 21.39 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.279 1.432 . . . . 0.0 113.742 175.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.463 ' HB ' ' H ' ' A' ' 21' ' ' VAL . 53.4 m -138.81 -33.81 0.63 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.639 1.576 . . . . 0.0 112.428 176.204 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.93 -35.32 79.74 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 124.679 1.192 . . . . 0.0 110.847 175.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -76.16 4.65 8.17 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 114.754 1.39 . . . . 0.0 114.754 177.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.44 17.91 4.39 Favored 'General case' 0 N--CA 1.463 0.198 0 O-C-N 120.309 -1.494 . . . . 0.0 112.022 174.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.9 p -126.54 -41.05 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.185 0.994 . . . . 0.0 112.352 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -64.39 -27.23 68.87 Favored 'General case' 0 C--O 1.226 -0.184 0 C-N-CA 123.277 0.631 . . . . 0.0 112.412 170.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -56.54 -31.16 63.89 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.952 1.301 . . . . 0.0 112.752 173.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -77.62 -51.27 10.92 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 118.506 0.594 . . . . 0.0 111.034 176.622 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -59.99 -42.56 94.49 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.41 1.084 . . . . 0.0 111.97 179.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.07 -49.26 78.57 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 124.03 0.932 . . . . 0.0 112.142 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 -71.04 -19.0 62.54 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 178.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -80.9 -30.15 35.51 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 173.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -78.36 -44.04 26.11 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 168.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 121.71 13.95 4.93 Favored Glycine 0 CA--C 1.538 1.486 0 C-N-CA 128.673 3.035 . . . . 0.0 115.363 170.003 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 44.4 t -86.73 148.68 4.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 125.31 1.444 . . . . 0.0 111.515 173.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -164.58 58.38 0.14 Allowed 'General case' 0 CA--C 1.555 1.161 0 CA-C-O 122.709 1.242 . . . . 0.0 111.957 168.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.79 -140.99 5.76 Favored Glycine 0 CA--C 1.547 2.071 0 C-N-CA 126.679 2.085 . . . . 0.0 116.527 179.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -70.72 88.66 0.72 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 125.85 1.66 . . . . 0.0 112.948 -177.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 81.8 m95 -62.55 111.98 2.29 Favored 'General case' 0 N--CA 1.467 0.383 0 O-C-N 119.911 -1.743 . . . . 0.0 110.418 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -126.67 163.05 24.33 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 126.641 1.977 . . . . 0.0 110.907 -172.273 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -147.32 168.5 21.62 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.345 1.058 . . . . 0.0 111.797 177.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -142.41 128.24 19.38 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 127.319 2.247 . . . . 0.0 107.437 -177.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.493 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -105.33 3.31 29.71 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.759 1.392 . . . . 0.0 114.759 -177.837 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -92.43 -29.07 16.47 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.096 1.358 . . . . 0.0 110.425 169.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.2 p -125.4 -10.47 6.91 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -174.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.493 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 2.6 mmpt? 61.13 42.54 12.2 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.357 1.463 . . . . 0.0 112.479 178.074 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 81.1 m -117.73 110.91 18.42 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.859 1.664 . . . . 0.0 111.601 -174.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -67.51 159.69 29.17 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 121.924 0.868 . . . . 0.0 111.002 168.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.9 m -146.16 159.48 43.25 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.122 1.369 . . . . 0.0 108.37 170.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.265 7.6 p -152.75 76.96 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 CA-C-O 123.077 1.418 . . . . 0.0 111.72 177.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.1 m . . . . . 0 N--CA 1.474 0.732 0 C-N-CA 125.019 1.328 . . . . 0.0 111.822 -179.537 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 46.2 mttp . . . . . 0 N--CA 1.476 0.87 0 CA-C-O 120.365 0.126 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -140.81 139.46 34.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 CA-C-O 122.661 1.219 . . . . 0.0 111.099 178.168 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -82.29 149.1 27.97 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 128.155 2.582 . . . . 0.0 110.199 175.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -149.44 151.84 12.52 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 CA-C-O 122.729 1.252 . . . . 0.0 113.652 171.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.441 ' HA2' ' HA ' ' A' ' 112' ' ' PHE . . . . . . . . 0 CA--C 1.53 1.031 0 C-N-CA 126.136 1.826 . . . . 0.0 112.068 168.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.5 pttp . . . . . 0 C--O 1.22 -0.494 0 N-CA-C 116.08 1.882 . . . . 0.0 116.08 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 46.5 m -43.11 -62.59 1.0 Allowed 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 120.568 1.531 . . . . 0.0 114.497 -169.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.04 -55.47 16.47 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 -175.455 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.3 pp -63.6 -33.77 76.35 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 123.437 0.461 . . . . 0.0 112.178 -173.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -64.57 -48.45 74.94 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 125.151 1.38 . . . . 0.0 111.169 178.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.78 -32.89 71.62 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 119.04 -1.064 . . . . 0.0 112.152 172.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.44 98.24 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.728 0.811 . . . . 0.0 111.695 178.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -69.79 -64.16 0.94 Allowed 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 125.268 1.427 . . . . 0.0 111.729 172.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -57.22 -18.57 28.65 Favored Glycine 0 CA--C 1.548 2.116 0 N-CA-C 115.444 0.938 . . . . 0.0 115.444 -176.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -55.84 -49.42 73.36 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 126.293 1.837 . . . . 0.0 112.946 168.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -64.88 -42.46 94.78 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.387 0.675 . . . . 0.0 110.224 174.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 179.77 162.44 28.76 Favored Glycine 0 N--CA 1.476 1.301 0 CA-C-O 118.724 -1.042 . . . . 0.0 113.958 169.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -58.26 139.32 90.08 Favored 'Trans proline' 0 CA--C 1.532 0.417 0 CA-C-N 120.745 2.273 . . . . 0.0 114.976 -168.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.411 ' HA ' ' HA ' ' A' ' 117' ' ' PHE . 16.3 mt -85.89 150.1 24.76 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.786 1.634 . . . . 0.0 111.561 175.488 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -96.75 -33.67 11.62 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.494 1.118 . . . . 0.0 111.802 169.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.7 m -156.37 154.32 30.36 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.126 1.371 . . . . 0.0 112.193 172.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 73.5 t -139.6 137.13 40.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 125.786 1.634 . . . . 0.0 109.35 173.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 87.7 t90 -141.93 148.15 38.2 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 126.082 1.753 . . . . 0.0 110.553 -175.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 8.0 m -143.24 151.82 16.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 125.138 1.375 . . . . 0.0 108.656 173.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.709 0 CA-C-O 122.021 0.915 . . . . 0.0 113.144 -172.846 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.441 ' HA ' ' HA2' ' A' ' 79' ' ' GLY . 0.0 OUTLIER . . . . . 0 CA--C 1.544 0.727 0 CA-C-O 120.637 0.256 . . . . 0.0 110.351 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -167.25 173.28 9.11 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.165 1.386 . . . . 0.0 112.932 -167.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -147.58 147.84 30.49 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 172.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.7 m -141.99 171.54 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 124.395 1.078 . . . . 0.0 113.053 -175.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -144.6 124.05 13.14 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 125.092 1.357 . . . . 0.0 109.229 169.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.411 ' HA ' ' HA ' ' A' ' 100' ' ' LEU . 41.1 m-85 -78.39 165.32 23.95 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 174.71 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 22.7 tp10 -70.24 -16.41 63.04 Favored 'General case' 0 CA--C 1.548 0.867 0 O-C-N 120.931 -1.106 . . . . 0.0 112.561 170.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -155.93 158.03 31.54 Favored Pre-proline 0 CA--C 1.555 1.144 0 O-C-N 120.783 -1.198 . . . . 0.0 113.346 176.185 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -68.05 -29.24 34.02 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 124.305 3.337 . . . . 0.0 113.924 -178.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.1 ttp85 -63.1 -43.4 98.58 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 120.506 1.503 . . . . 0.0 110.832 174.271 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -66.83 -43.51 83.55 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 178.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.9 -41.83 96.83 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 171.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.48 -39.23 91.7 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.609 0.764 . . . . 0.0 112.475 178.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -66.1 -41.46 90.56 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-O 123.004 1.383 . . . . 0.0 111.718 176.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.62 -56.79 17.14 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 114.917 -1.038 . . . . 0.0 110.672 171.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 54.7 t -57.19 -27.32 27.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 125.412 1.485 . . . . 0.0 113.293 174.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 55.0 ttp85 -67.59 -42.16 82.93 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.549 1.54 . . . . 0.0 110.751 -179.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -129.96 -15.54 3.81 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 118.78 2.882 . . . . 0.0 118.78 -176.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 29.1 mt -66.91 -28.53 68.39 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 121.469 1.941 . . . . 0.0 113.38 175.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -60.18 134.56 57.17 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.882 1.273 . . . . 0.0 114.02 -174.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 66.73 -20.12 0.2 Allowed Glycine 0 CA--C 1.541 1.688 0 N-CA-C 119.683 2.633 . . . . 0.0 119.683 169.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 22.2 ptt180 -65.35 -53.15 47.73 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 117.401 2.371 . . . . 0.0 117.401 -167.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 4.5 m 147.66 127.54 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 131.255 3.822 . . . . 0.0 109.339 -170.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.437 ' C ' ' H ' ' A' ' 137' ' ' GLY . 3.3 tp -168.38 137.94 2.42 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 103.591 -2.744 . . . . 0.0 103.591 -179.062 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 67.8 m 67.25 -27.16 0.13 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 126.456 1.903 . . . . 0.0 112.663 -167.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . 0.437 ' H ' ' C ' ' A' ' 135' ' ' LEU . . . 145.71 -8.16 1.54 Allowed Glycine 0 CA--C 1.534 1.239 0 N-CA-C 118.145 2.018 . . . . 0.0 118.145 168.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 13.0 t -156.6 -136.85 0.05 Allowed 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 119.819 1.809 . . . . 0.0 110.831 -169.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -47.31 116.72 1.5 Allowed 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 127.972 2.509 . . . . 0.0 111.511 178.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 61.7 t -116.68 162.55 14.58 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 124.916 1.286 . . . . 0.0 111.163 170.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.22 143.27 25.8 Favored 'General case' 0 C--O 1.221 -0.414 0 C-N-CA 127.449 2.3 . . . . 0.0 107.411 168.609 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 92.5 t -150.39 129.21 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 N-CA-C 107.189 -1.411 . . . . 0.0 107.189 169.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -147.63 159.3 43.93 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 119.511 1.05 . . . . 0.0 110.977 176.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 10.6 tp -68.82 137.81 54.26 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 120.047 -1.658 . . . . 0.0 109.605 173.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.471 0.603 0 CA-C-O 121.698 0.761 . . . . 0.0 112.18 -171.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 . . . . . 0 CA--C 1.539 0.53 0 CA-C-O 121.399 0.619 . . . . 0.0 111.389 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.431 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 88.1 m-85 -125.16 154.47 41.46 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 127.164 2.186 . . . . 0.0 108.385 -177.315 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -107.76 161.0 15.29 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.325 1.05 . . . . 0.0 111.267 -178.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 18.2 tp -142.64 139.42 31.25 Favored 'General case' 0 C--N 1.333 -0.116 0 C-N-CA 126.197 1.799 . . . . 0.0 110.462 173.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mp -113.87 142.05 27.8 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 C-N-CA 126.338 1.855 . . . . 0.0 107.157 169.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 79.5 mt -117.69 62.03 0.75 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 128.182 2.593 . . . . 0.0 109.337 176.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 . . . . . 0 CA--C 1.551 0.989 0 C-N-CA 124.407 1.083 . . . . 0.0 113.497 175.64 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.467 0.384 0 N-CA-C 116.08 1.881 . . . . 0.0 116.08 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -168.08 -163.8 22.65 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 117.306 1.682 . . . . 0.0 117.306 170.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -153.77 158.33 40.76 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.961 1.304 . . . . 0.0 112.739 -178.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.2 t -159.62 -175.13 4.99 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 126.553 1.941 . . . . 0.0 110.125 -175.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 69.9 p -142.28 172.16 13.07 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.786 1.635 . . . . 0.0 111.195 175.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.9 t -157.0 150.55 24.34 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.299 -0.876 . . . . 0.0 110.878 171.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.2 tp10 -78.71 113.64 16.95 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 169.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.06 175.3 9.5 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.697 1.599 . . . . 0.0 112.685 -178.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.412 ' H ' ' HB ' ' A' ' 25' ' ' THR . 47.0 t -84.14 -38.53 13.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 O-C-N 121.352 -0.842 . . . . 0.0 111.661 170.496 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.431 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 2.8 t70 174.55 -155.97 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 131.139 3.776 . . . . 0.0 106.854 173.345 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.34 -21.61 2.34 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 120.639 1.563 . . . . 0.0 114.165 169.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.76 -6.54 16.36 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.194 1.398 . . . . 0.0 113.825 173.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.412 ' HB ' ' H ' ' A' ' 21' ' ' VAL . 22.0 m -137.72 -37.17 0.61 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.688 1.595 . . . . 0.0 111.966 174.384 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.01 -41.65 90.72 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.902 1.281 . . . . 0.0 110.946 177.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -77.26 6.28 7.0 Favored 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 114.26 1.207 . . . . 0.0 114.26 179.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.35 14.8 6.66 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.436 1.494 . . . . 0.0 111.893 169.745 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 t -115.06 -51.25 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 125.342 1.457 . . . . 0.0 110.024 173.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -62.37 -26.52 68.5 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -58.63 -28.09 65.33 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.276 1.031 . . . . 0.0 113.219 175.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -82.3 -53.39 6.08 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 123.207 0.603 . . . . 0.0 109.887 177.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -57.81 -41.62 82.56 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.128 0.971 . . . . 0.0 112.216 -179.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.75 -52.56 64.54 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 123.695 0.798 . . . . 0.0 111.823 175.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -66.09 -22.2 66.4 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.097 0.959 . . . . 0.0 113.527 176.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -77.7 -30.37 51.81 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 119.321 0.964 . . . . 0.0 112.587 174.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -79.38 -38.51 34.78 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 168.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 118.9 4.11 12.98 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 128.706 3.051 . . . . 0.0 114.739 170.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 48.7 t -77.88 143.83 12.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 CA-C-N 118.462 1.131 . . . . 0.0 110.621 171.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -162.24 54.31 0.23 Allowed 'General case' 0 CA--C 1.547 0.832 0 CA-C-O 122.421 1.105 . . . . 0.0 112.032 168.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -74.32 -158.21 5.74 Favored Glycine 0 CA--C 1.539 1.585 0 C-N-CA 124.71 1.147 . . . . 0.0 115.552 175.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -65.09 130.22 42.56 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 121.221 -1.164 . . . . 0.0 109.59 170.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 80.0 m95 -89.53 139.47 30.5 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.662 1.185 . . . . 0.0 110.715 177.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -139.69 157.38 45.87 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 127.323 2.249 . . . . 0.0 108.895 -177.728 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -153.91 165.2 36.86 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.509 1.523 . . . . 0.0 109.776 -177.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -140.8 170.29 16.03 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.574 1.15 . . . . 0.0 112.532 -179.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.43 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 21.4 t70 -131.8 -4.6 3.62 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 115.121 1.526 . . . . 0.0 115.121 178.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.66 -27.77 31.11 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.425 0.69 . . . . 0.0 109.686 168.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 25.8 p -132.38 -12.67 3.1 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.602 1.561 . . . . 0.0 113.58 -170.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.43 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 2.6 mmpt? 56.1 39.48 30.38 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.297 1.439 . . . . 0.0 112.815 176.431 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 52.6 m -116.36 114.23 24.01 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 125.7 1.6 . . . . 0.0 110.272 -172.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -67.33 157.97 32.71 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 124.291 1.036 . . . . 0.0 111.18 169.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.1 m -151.11 129.22 11.85 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 107.346 -1.353 . . . . 0.0 107.346 171.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.5 p -113.56 132.76 61.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 123.863 0.865 . . . . 0.0 108.743 170.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 57.7 m . . . . . 0 N--CA 1.478 0.939 0 C-N-CA 123.948 0.899 . . . . 0.0 111.625 -169.112 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 95.4 mttt . . . . . 0 CA--C 1.534 0.344 0 CA-C-O 122.229 1.014 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.2 t -139.55 127.73 26.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 C-N-CA 126.642 1.977 . . . . 0.0 108.395 -174.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -78.87 147.59 33.1 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 123.387 0.675 . . . . 0.0 109.476 169.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.4 p -149.68 148.5 15.46 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.332 0 CA-C-N 118.958 0.799 . . . . 0.0 112.223 169.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.282 0 N-CA-C 110.09 -1.204 . . . . 0.0 110.09 169.189 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 10.1 ptmm? . . . . . 0 N--CA 1.487 1.417 0 N-CA-C 121.66 3.948 . . . . 0.0 121.66 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 25.9 m -47.73 -52.76 17.3 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 121.743 2.065 . . . . 0.0 116.034 -168.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -77.74 -41.01 39.15 Favored 'General case' 0 CA--C 1.53 0.204 0 O-C-N 121.087 -1.008 . . . . 0.0 111.033 -177.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.2 pp -60.68 -32.93 72.12 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 120.487 1.494 . . . . 0.0 112.037 175.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -61.84 -48.73 79.23 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.755 1.222 . . . . 0.0 111.745 175.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.6 ppt_? -67.86 -35.24 78.19 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 119.19 0.905 . . . . 0.0 112.762 170.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.13 -48.85 79.7 Favored 'General case' 0 C--O 1.22 -0.456 0 C-N-CA 124.34 1.056 . . . . 0.0 111.182 -179.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -62.63 -63.13 1.31 Allowed 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 124.929 1.292 . . . . 0.0 111.525 174.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -57.33 -21.66 41.38 Favored Glycine 0 CA--C 1.547 2.052 0 N-CA-C 115.689 1.036 . . . . 0.0 115.689 -177.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -57.61 -53.48 57.69 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.706 1.603 . . . . 0.0 113.139 169.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -66.89 -37.44 84.39 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 118.69 0.677 . . . . 0.0 111.124 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -171.41 161.65 34.09 Favored Glycine 0 N--CA 1.476 1.356 0 CA-C-O 118.197 -1.335 . . . . 0.0 112.623 169.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -69.02 135.54 32.5 Favored 'Trans proline' 0 CA--C 1.535 0.531 0 CA-C-N 121.803 2.801 . . . . 0.0 114.517 -169.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 16.7 mt -74.58 164.94 26.01 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.226 1.81 . . . . 0.0 113.25 175.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 32.9 ttp-105 -124.8 -28.73 3.48 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 125.97 1.708 . . . . 0.0 112.244 169.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 17.1 t -153.5 150.19 28.48 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.535 1.134 . . . . 0.0 111.537 170.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 85.3 t -139.65 131.04 33.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 125.313 1.445 . . . . 0.0 108.847 174.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 86.2 t90 -142.21 148.31 37.97 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.112 1.365 . . . . 0.0 110.632 -178.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 24.4 m -144.56 159.17 14.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 C-N-CA 126.316 1.847 . . . . 0.0 107.941 175.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.665 0 N-CA-C 115.581 1.697 . . . . 0.0 115.581 -171.139 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.563 1.467 0 CA-C-O 120.986 0.422 . . . . 0.0 111.492 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -163.93 179.35 7.08 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 125.548 1.539 . . . . 0.0 114.067 -168.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -152.44 147.71 26.58 Favored 'General case' 0 N--CA 1.48 1.073 0 O-C-N 121.186 -0.946 . . . . 0.0 113.048 174.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.6 m -134.1 168.76 23.1 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 O-C-N 120.956 -1.09 . . . . 0.0 112.152 171.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -142.37 132.19 24.22 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 124.885 1.274 . . . . 0.0 108.57 172.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -94.95 168.63 10.66 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -178.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -71.7 -37.43 70.69 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 121.476 -0.765 . . . . 0.0 112.572 177.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -129.2 141.41 41.67 Favored Pre-proline 0 CA--C 1.547 0.832 0 C-N-CA 125.015 1.326 . . . . 0.0 110.61 175.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -51.87 -29.77 36.14 Favored 'Trans proline' 0 CA--C 1.538 0.684 0 C-N-CA 123.845 3.03 . . . . 0.0 114.996 172.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.4 ttp85 -58.22 -42.19 85.75 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.082 0.953 . . . . 0.0 111.807 170.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -68.18 -44.83 75.02 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 122.543 0.337 . . . . 0.0 110.9 -179.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.23 -48.12 82.81 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 122.959 0.504 . . . . 0.0 112.109 173.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.32 -44.6 91.07 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 -179.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -66.54 -39.53 88.64 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.319 1.048 . . . . 0.0 112.112 178.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.38 -55.51 17.71 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 121.776 -0.577 . . . . 0.0 109.964 175.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 55.8 t -55.33 -49.93 68.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 123.73 0.812 . . . . 0.0 111.206 178.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 4.4 ppt_? -60.64 -24.31 65.46 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-O 117.603 -1.189 . . . . 0.0 113.501 -178.049 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -116.16 18.86 15.23 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 174.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 22.4 mt -117.72 -35.78 3.84 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 126.275 1.83 . . . . 0.0 112.702 172.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -53.03 112.71 0.91 Allowed 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.203 1.001 . . . . 0.0 113.39 -169.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 59.58 13.51 24.08 Favored Glycine 0 CA--C 1.538 1.507 0 N-CA-C 116.66 1.424 . . . . 0.0 116.66 179.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 67.3 mmt-85 -66.38 -67.14 0.47 Allowed 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 120.039 1.92 . . . . 0.0 112.395 -176.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 17.6 m 143.54 131.64 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.353 1 C-N-CA 132.859 4.464 . . . . 0.0 107.22 -176.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.458 ' C ' ' H ' ' A' ' 137' ' ' GLY . 0.1 OUTLIER -168.09 148.76 5.0 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 105.032 -2.21 . . . . 0.0 105.032 -176.554 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 91.2 m 64.16 -31.71 0.12 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.586 1.554 . . . . 0.0 112.755 -167.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . 0.458 ' H ' ' C ' ' A' ' 135' ' ' LEU . . . 144.27 2.67 0.81 Allowed Glycine 0 CA--C 1.531 1.048 0 N-CA-C 118.266 2.066 . . . . 0.0 118.266 168.572 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 37.9 t -150.46 -77.64 0.14 Allowed 'General case' 0 C--N 1.343 0.325 0 CA-C-N 121.181 2.49 . . . . 0.0 109.799 -174.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -122.14 158.99 28.12 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 123.12 1.438 . . . . 0.0 112.64 177.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.73 89.16 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 128.116 2.566 . . . . 0.0 107.543 171.077 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.71 55.97 0.89 Allowed 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.452 1.501 . . . . 0.0 111.124 179.378 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 71.3 t -83.86 139.43 17.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 125.919 1.688 . . . . 0.0 110.194 -176.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -151.59 162.69 40.55 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.191 0.996 . . . . 0.0 110.657 169.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 39.6 mt -77.56 146.81 36.07 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 120.162 -1.586 . . . . 0.0 109.637 169.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.471 0.623 0 N-CA-C 112.732 0.642 . . . . 0.0 112.732 175.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 . . . . . 0 N--CA 1.473 0.702 0 CA-C-O 121.188 0.518 . . . . 0.0 112.058 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.43 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 88.8 m-85 -127.39 153.95 45.61 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 126.984 2.113 . . . . 0.0 108.498 -179.101 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -110.02 163.96 13.07 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.006 1.322 . . . . 0.0 111.624 -179.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -147.17 136.61 22.73 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.707 2.003 . . . . 0.0 110.772 178.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.6 mp -118.25 113.43 42.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 126.45 1.9 . . . . 0.0 110.554 173.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 85.0 mt -83.23 63.52 7.25 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 127.736 2.415 . . . . 0.0 112.05 174.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 58.3 t30 . . . . . 0 CA--C 1.553 1.093 0 N-CA-C 115.982 1.845 . . . . 0.0 115.982 -175.252 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.466 0.367 0 N-CA-C 117.383 2.364 . . . . 0.0 117.383 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -165.3 -156.26 9.05 Favored Glycine 0 CA--C 1.525 0.716 0 CA-C-N 113.54 -1.663 . . . . 0.0 116.052 169.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -156.59 160.93 39.89 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.519 1.528 . . . . 0.0 111.973 -175.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.9 t -154.3 -176.64 5.97 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.699 1.599 . . . . 0.0 110.09 173.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 72.1 p -140.97 170.83 15.0 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 125.935 1.694 . . . . 0.0 110.082 174.081 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.0 t -157.96 151.5 23.59 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.133 -0.98 . . . . 0.0 111.293 175.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -81.66 119.23 23.56 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 167.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -138.83 170.41 16.05 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.026 1.731 . . . . 0.0 112.324 -174.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 58.7 t -82.85 -38.85 15.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 O-C-N 121.02 -1.05 . . . . 0.0 111.651 170.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.43 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 3.3 t70 174.54 -154.58 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 130.691 3.596 . . . . 0.0 106.683 173.571 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.63 -19.49 2.39 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 120.681 1.582 . . . . 0.0 114.059 169.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.83 -8.26 14.47 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.41 1.084 . . . . 0.0 113.602 171.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.3 m -136.5 -41.8 0.62 Allowed 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 126.393 1.877 . . . . 0.0 111.746 179.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.32 -34.21 75.71 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.783 1.633 . . . . 0.0 111.024 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -78.65 5.38 11.19 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 120.701 -1.249 . . . . 0.0 114.367 176.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.14 18.2 3.2 Favored 'General case' 0 N--CA 1.466 0.332 0 O-C-N 120.658 -1.276 . . . . 0.0 112.276 176.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.8 p -124.47 -40.96 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 124.889 1.276 . . . . 0.0 111.873 177.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -68.4 -27.7 66.45 Favored 'General case' 0 CA--C 1.527 0.091 0 C-N-CA 124.195 0.998 . . . . 0.0 112.571 173.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -54.59 -32.49 58.72 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.161 1.384 . . . . 0.0 112.763 177.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -80.2 -50.09 10.74 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.973 0.909 . . . . 0.0 110.665 -179.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -59.97 -43.73 94.91 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.341 1.057 . . . . 0.0 112.261 177.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.41 -52.16 66.49 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 123.729 0.811 . . . . 0.0 112.217 178.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -73.35 -13.11 61.04 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.384 0.674 . . . . 0.0 112.739 -178.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -84.18 -31.35 25.18 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.911 0.884 . . . . 0.0 112.764 171.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -76.32 -36.85 58.09 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 168.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 119.85 0.89 13.36 Favored Glycine 0 CA--C 1.534 1.224 0 C-N-CA 128.66 3.029 . . . . 0.0 114.742 169.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 54.2 t -76.39 149.63 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 CA-C-N 118.138 0.969 . . . . 0.0 111.511 173.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -163.39 41.3 0.1 Allowed 'General case' 0 CA--C 1.546 0.827 0 CA-C-O 122.292 1.044 . . . . 0.0 111.235 169.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.85 -151.25 0.05 OUTLIER Glycine 0 CA--C 1.542 1.775 0 C-N-CA 126.195 1.855 . . . . 0.0 116.643 177.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -73.14 85.72 1.37 Allowed 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.191 1.396 . . . . 0.0 112.709 -178.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 77.5 m95 -55.35 116.28 2.76 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 125.428 1.491 . . . . 0.0 110.216 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.99 162.29 29.01 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 126.864 2.066 . . . . 0.0 110.503 -173.032 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -155.38 163.92 39.43 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.598 1.159 . . . . 0.0 111.663 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -138.23 166.14 24.92 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.266 1.426 . . . . 0.0 112.454 176.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.455 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 28.4 t70 -125.12 -0.4 7.79 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 114.781 1.401 . . . . 0.0 114.781 -178.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -95.45 -32.09 13.06 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.164 1.386 . . . . 0.0 111.359 170.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.6 t -125.38 -1.63 7.54 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.308 1.043 . . . . 0.0 113.615 178.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.455 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 2.7 mmpt? 53.64 41.29 32.11 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.801 1.24 . . . . 0.0 113.075 169.154 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 52.7 m -120.92 113.81 20.65 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 125.567 1.547 . . . . 0.0 109.316 -171.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -66.79 159.91 27.02 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 122.054 0.93 . . . . 0.0 110.967 169.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 22.4 m -145.7 161.95 38.69 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 125.687 1.595 . . . . 0.0 107.491 169.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.4 p -153.92 65.76 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 CA-C-O 123.22 1.486 . . . . 0.0 111.189 -179.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 86.1 m . . . . . 0 N--CA 1.469 0.523 0 O-C-N 121.113 -0.992 . . . . 0.0 112.734 -172.475 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.5 mttp . . . . . 0 N--CA 1.472 0.625 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 80.0 t -140.6 131.65 29.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 CA-C-O 122.094 0.949 . . . . 0.0 113.222 -167.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -88.36 147.5 24.71 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 125.934 1.693 . . . . 0.0 109.237 168.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.4 p -152.55 152.88 10.02 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.285 0 CA-C-O 122.732 1.253 . . . . 0.0 113.335 177.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.316 0 C-N-CA 125.991 1.757 . . . . 0.0 109.795 168.723 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.1 ptmm? . . . . . 0 N--CA 1.469 0.49 0 N-CA-C 115.372 1.619 . . . . 0.0 115.372 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.2 m -73.02 -31.69 64.62 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 -168.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -64.48 -53.27 50.87 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 119.666 1.121 . . . . 0.0 110.724 174.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.5 pp -65.85 -32.31 73.76 Favored 'General case' 0 C--O 1.22 -0.456 0 C-N-CA 120.474 -0.49 . . . . 0.0 111.865 177.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -55.77 -48.03 76.01 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 120.756 -1.215 . . . . 0.0 111.953 173.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.86 -37.85 82.37 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 119.154 0.888 . . . . 0.0 111.714 170.528 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.17 -36.27 77.2 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.602 1.092 . . . . 0.0 112.601 -178.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.447 ' CE1' ' CD1' ' A' ' 130' ' ' LEU . 21.8 m-85 -83.76 -60.17 2.2 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 125.794 1.638 . . . . 0.0 111.628 179.191 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -50.29 -23.31 5.89 Favored Glycine 0 CA--C 1.548 2.134 0 N-CA-C 115.452 0.941 . . . . 0.0 115.452 173.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -51.63 -51.62 54.23 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.851 1.66 . . . . 0.0 112.702 168.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -72.33 -44.81 62.13 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.221 1.008 . . . . 0.0 111.323 178.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -171.84 168.34 41.43 Favored Glycine 0 N--CA 1.478 1.476 0 CA-C-O 118.839 -0.979 . . . . 0.0 114.478 175.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -70.4 124.5 10.88 Favored 'Trans proline' 0 C--O 1.237 0.446 0 CA-C-N 120.919 2.359 . . . . 0.0 114.154 -169.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 21.1 mt -61.0 162.84 6.53 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.825 2.05 . . . . 0.0 112.763 170.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 28.3 ttp180 -124.79 -29.51 3.39 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 126.461 1.904 . . . . 0.0 111.307 176.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 83.0 p -160.62 155.1 23.55 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.573 1.549 . . . . 0.0 111.069 166.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 78.1 t -139.75 134.42 38.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 126.121 1.768 . . . . 0.0 107.922 -178.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 39.2 t90 -147.49 143.74 28.08 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 177.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -142.03 154.95 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 O-C-N 121.469 -0.769 . . . . 0.0 110.025 170.692 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.527 0 CA-C-O 120.916 0.389 . . . . 0.0 110.991 172.312 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.551 1.01 0 CA-C-O 120.614 0.245 . . . . 0.0 110.698 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -165.98 178.6 6.33 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 124.897 1.279 . . . . 0.0 113.741 -167.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -149.89 157.64 43.37 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.403 1.081 . . . . 0.0 113.819 172.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 32.6 m -143.35 172.2 7.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 CA-C-O 122.739 1.257 . . . . 0.0 113.29 169.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -152.34 127.88 10.05 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 127.05 2.14 . . . . 0.0 106.598 -177.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.42 ' CZ ' ' HB3' ' A' ' 94' ' ' PHE . 57.4 m-85 -109.03 155.87 20.41 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.138 1.375 . . . . 0.0 111.823 -173.249 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -68.95 -14.91 63.32 Favored 'General case' 0 CA--C 1.553 1.076 0 O-C-N 120.467 -1.396 . . . . 0.0 112.603 174.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -141.01 133.0 13.96 Favored Pre-proline 0 CA--C 1.553 1.074 0 C-N-CA 125.063 1.345 . . . . 0.0 112.525 -170.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -78.9 -24.48 7.01 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 123.395 2.73 . . . . 0.0 114.765 -175.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.96 -41.97 81.64 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 120.348 1.431 . . . . 0.0 110.259 171.54 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -66.63 -41.3 88.53 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.242 0.617 . . . . 0.0 112.346 174.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.1 -44.63 97.05 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 118.578 0.626 . . . . 0.0 112.335 171.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.15 -47.93 75.34 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.057 0.543 . . . . 0.0 111.492 178.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -61.57 -37.37 83.61 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.668 1.187 . . . . 0.0 112.302 178.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.37 -55.06 31.62 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 122.905 0.482 . . . . 0.0 110.232 169.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 35.1 t -51.92 -40.36 28.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 124.805 1.242 . . . . 0.0 113.518 177.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -78.92 -26.84 43.74 Favored 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 114.328 1.232 . . . . 0.0 114.328 -179.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -105.19 -21.61 13.22 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 -173.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.447 ' CD1' ' CE1' ' A' ' 94' ' ' PHE . 42.7 mt -80.91 -36.1 31.54 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.6 1.16 . . . . 0.0 113.988 176.307 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -65.02 147.49 53.39 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 115.225 1.565 . . . . 0.0 115.225 -168.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 66.3 -44.37 0.18 Allowed Glycine 0 CA--C 1.538 1.527 0 C-N-CA 128.959 3.171 . . . . 0.0 118.459 169.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 49.6 mtt85 -51.76 -56.49 13.53 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 127.688 2.395 . . . . 0.0 115.082 -169.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.6 m 149.41 150.32 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.958 1 C-N-CA 131.771 4.029 . . . . 0.0 107.322 -169.235 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -143.77 -60.71 0.4 Allowed 'General case' 0 N--CA 1.476 0.864 0 CA-C-O 119.107 -0.473 . . . . 0.0 111.583 171.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 27.7 t -67.19 -42.33 84.37 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 118.741 0.701 . . . . 0.0 111.611 169.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 158.18 4.51 0.07 OUTLIER Glycine 0 CA--C 1.541 1.662 0 N-CA-C 116.305 1.282 . . . . 0.0 116.305 -177.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 5.7 t -157.26 -170.56 3.3 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 127.077 2.151 . . . . 0.0 107.556 177.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -47.73 126.64 10.53 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.547 1.539 . . . . 0.0 113.408 -169.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 12.1 p -117.23 156.12 18.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 126.805 2.042 . . . . 0.0 109.98 177.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.01 134.61 47.53 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 126.962 2.105 . . . . 0.0 108.999 175.299 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 87.2 t -147.9 135.15 13.86 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 169.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 30.8 mp0 -141.15 168.47 19.71 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.095 0.958 . . . . 0.0 110.322 171.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -71.97 135.21 46.36 Favored 'General case' 0 CA--C 1.543 0.673 0 O-C-N 120.253 -1.529 . . . . 0.0 108.616 167.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 37.2 m . . . . . 0 N--CA 1.473 0.68 0 CA-C-O 121.668 0.747 . . . . 0.0 112.618 -179.609 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 . . . . . 0 CA--C 1.544 0.718 0 CA-C-O 121.064 0.459 . . . . 0.0 111.533 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.431 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 86.9 m-85 -125.6 154.89 41.59 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 127.49 2.316 . . . . 0.0 108.366 -178.746 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -107.34 162.61 13.75 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.563 1.145 . . . . 0.0 111.531 -178.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.6 tp -141.64 140.16 33.21 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 126.899 2.079 . . . . 0.0 110.369 171.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.3 mp -117.97 108.42 24.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 126.002 1.721 . . . . 0.0 108.813 173.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 68.3 mt -80.23 77.84 6.94 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.458 1.103 . . . . 0.0 108.283 169.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 . . . . . 0 CA--C 1.564 1.495 0 C-N-CA 125.819 1.648 . . . . 0.0 114.285 171.826 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.471 0.577 0 N-CA-C 118.216 2.673 . . . . 0.0 118.216 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.88 -165.42 25.25 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 117.69 1.836 . . . . 0.0 117.69 169.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -142.43 157.82 44.35 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.781 1.232 . . . . 0.0 111.853 -175.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.7 t -156.27 -177.16 6.39 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.418 1.487 . . . . 0.0 110.503 171.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 70.7 p -142.57 171.51 13.96 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.686 1.594 . . . . 0.0 110.806 174.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.9 t -158.98 149.39 19.6 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.37 -0.831 . . . . 0.0 111.743 173.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.1 tp10 -74.6 120.51 20.26 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 106.873 -1.528 . . . . 0.0 106.873 167.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -137.54 174.17 10.88 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.58 1.552 . . . . 0.0 112.0 177.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.3 p -84.05 -31.4 7.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 O-C-N 121.482 -0.762 . . . . 0.0 112.469 169.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.431 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 2.1 t70 167.46 -158.09 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.09 1 C-N-CA 132.227 4.211 . . . . 0.0 107.462 176.361 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.76 -22.46 2.14 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 120.467 -1.395 . . . . 0.0 114.135 169.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.91 -5.39 16.64 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.437 1.095 . . . . 0.0 113.628 173.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.0 m -135.48 -37.4 0.77 Allowed 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.646 1.578 . . . . 0.0 112.236 172.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.21 -38.66 91.14 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.717 1.207 . . . . 0.0 111.008 177.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -75.41 4.13 7.89 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 114.435 1.272 . . . . 0.0 114.435 178.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.41 ' HE3' HG22 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -131.89 18.52 4.62 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 120.428 -1.42 . . . . 0.0 111.532 172.884 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.41 HG22 ' HE3' ' A' ' 28' ' ' LYS . 3.6 t -120.06 -51.97 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 125.358 1.463 . . . . 0.0 110.094 178.013 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -61.71 -26.33 67.97 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 176.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -54.4 -29.11 47.89 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.113 1.365 . . . . 0.0 113.164 173.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -82.79 -50.92 8.15 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.304 0.642 . . . . 0.0 110.406 178.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -60.08 -43.44 95.47 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.025 0.93 . . . . 0.0 112.231 179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.15 -51.99 67.4 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 121.322 -0.861 . . . . 0.0 111.064 178.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 59.4 m-80 -70.41 -18.55 63.02 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-O 117.915 -1.04 . . . . 0.0 113.769 -179.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . 0.323 1.1 p30 -86.16 -17.22 35.49 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 120.267 1.394 . . . . 0.0 114.116 171.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 58.9 m-80 -84.61 -41.14 16.68 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 166.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.29 -1.16 5.71 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 128.758 3.075 . . . . 0.0 115.436 171.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 55.7 t -80.77 154.13 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 CA-C-N 118.805 1.303 . . . . 0.0 113.079 177.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -169.32 48.52 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 126.029 1.732 . . . . 0.0 111.267 168.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -83.37 -137.11 3.01 Favored Glycine 0 CA--C 1.538 1.528 0 C-N-CA 125.354 1.454 . . . . 0.0 116.135 -176.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -70.67 82.22 0.61 Allowed 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.477 1.111 . . . . 0.0 112.752 -176.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 80.4 m95 -59.95 109.68 1.01 Allowed 'General case' 0 C--O 1.236 0.344 0 O-C-N 120.113 -1.617 . . . . 0.0 110.515 -179.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.84 163.66 21.71 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 127.028 2.131 . . . . 0.0 110.968 -174.669 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -153.66 166.26 33.37 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.056 1.342 . . . . 0.0 111.14 179.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -139.79 158.2 44.49 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.058 1.343 . . . . 0.0 111.426 175.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.492 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -120.62 4.93 10.6 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 -177.298 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -102.18 -29.98 11.4 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.766 1.626 . . . . 0.0 111.73 170.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.4 t -126.11 1.17 7.2 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.273 1.029 . . . . 0.0 113.582 177.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.492 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 3.2 mmpt? 52.55 41.98 31.25 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.092 1.357 . . . . 0.0 113.631 168.697 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.2 m -122.84 112.81 18.32 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 125.708 1.603 . . . . 0.0 109.363 -170.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -66.08 160.09 24.64 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.127 0.971 . . . . 0.0 111.32 169.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 23.7 m -145.41 157.94 43.93 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 125.365 1.466 . . . . 0.0 108.201 169.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.2 p -157.29 82.26 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 C-N-CA 124.902 1.281 . . . . 0.0 110.922 -179.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 28.3 m . . . . . 0 N--CA 1.476 0.872 0 C-N-CA 124.186 0.994 . . . . 0.0 112.361 -177.747 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 38.2 mttm . . . . . 0 N--CA 1.47 0.538 0 CA-C-O 120.821 0.343 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 24.0 t -135.61 140.35 44.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 125.617 1.567 . . . . 0.0 111.042 -169.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -95.0 148.62 22.14 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 125.748 1.619 . . . . 0.0 108.962 168.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -153.75 155.45 6.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 122.8 1.286 . . . . 0.0 112.897 174.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.224 0 C-N-CA 125.287 1.422 . . . . 0.0 110.441 168.479 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.25 15.6 pttp . . . . . 0 N--CA 1.485 1.287 0 N-CA-C 119.707 3.225 . . . . 0.0 119.707 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 66.8 m -47.79 -49.78 27.71 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 120.9 1.682 . . . . 0.0 115.053 -169.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -76.35 -45.87 30.09 Favored 'General case' 0 CA--C 1.529 0.157 0 O-C-N 121.54 -0.725 . . . . 0.0 111.662 -178.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.6 pp -61.31 -33.6 73.86 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.708 1.14 . . . . 0.0 111.915 176.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -61.44 -48.3 81.77 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.602 1.561 . . . . 0.0 112.178 175.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.52 -39.35 88.59 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 119.478 1.035 . . . . 0.0 111.873 171.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.01 -42.45 99.17 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 124.208 1.003 . . . . 0.0 111.987 -177.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.446 ' CD2' HG21 ' A' ' 115' ' ' VAL . 10.3 m-85 -68.14 -63.04 1.14 Allowed 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 124.918 1.287 . . . . 0.0 110.988 174.119 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -57.66 -19.72 36.31 Favored Glycine 0 CA--C 1.545 1.951 0 N-CA-C 115.729 1.052 . . . . 0.0 115.729 -175.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -55.78 -49.1 74.08 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.828 2.051 . . . . 0.0 112.956 168.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -65.85 -41.99 91.03 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.377 0.671 . . . . 0.0 110.484 173.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -179.68 162.32 28.84 Favored Glycine 0 N--CA 1.471 1.005 0 CA-C-O 118.656 -1.08 . . . . 0.0 114.136 169.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -58.7 147.95 85.23 Favored 'Trans proline' 0 CA--C 1.534 0.488 0 C-N-CA 122.52 2.147 . . . . 0.0 114.772 -168.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 14.2 mt -100.31 140.72 34.15 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.967 1.707 . . . . 0.0 110.756 -175.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 27.2 ttp-105 -96.15 -29.03 14.29 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.288 1.435 . . . . 0.0 112.033 173.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.406 ' HG ' ' HB3' ' A' ' 116' ' ' GLU . 20.3 p -155.73 155.57 33.35 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.789 1.236 . . . . 0.0 111.889 168.358 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 11.2 t -143.37 136.22 24.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 125.547 1.539 . . . . 0.0 107.945 173.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 72.8 t90 -145.2 147.68 32.71 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 124.83 1.252 . . . . 0.0 111.105 -174.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.2 m -143.84 153.32 15.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 124.109 0.964 . . . . 0.0 110.317 176.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.544 0 CA-C-O 121.373 0.606 . . . . 0.0 111.443 -174.697 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.538 0.481 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -158.91 170.68 21.56 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 114.197 1.184 . . . . 0.0 114.197 -168.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -142.95 163.08 33.75 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.111 0.964 . . . . 0.0 111.833 169.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.446 HG21 ' CD2' ' A' ' 94' ' ' PHE . 1.4 t -152.52 163.31 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 125.523 1.529 . . . . 0.0 111.845 -171.324 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.406 ' HB3' ' HG ' ' A' ' 102' ' ' SER . 60.1 tt0 -142.38 121.45 12.91 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.409 1.484 . . . . 0.0 107.608 165.593 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -84.36 168.55 15.49 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.555 -0.716 . . . . 0.0 112.507 178.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -74.94 -42.8 57.0 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 121.147 -0.97 . . . . 0.0 112.149 176.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -116.28 129.22 25.39 Favored Pre-proline 0 CA--C 1.547 0.843 0 C-N-CA 126.55 1.94 . . . . 0.0 108.568 174.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -50.92 -26.83 19.16 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 123.705 2.937 . . . . 0.0 114.722 173.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.27 -25.47 63.37 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 119.006 0.821 . . . . 0.0 112.993 173.029 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -68.81 -44.34 73.75 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 119.689 1.131 . . . . 0.0 110.233 169.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.82 -37.41 84.32 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.063 0.545 . . . . 0.0 111.861 171.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.34 -43.77 89.84 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.355 0.98 . . . . 0.0 112.431 173.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -56.64 -41.4 77.1 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 119.046 0.839 . . . . 0.0 111.696 171.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -73.43 -45.58 53.61 Favored 'General case' 0 CA--C 1.545 0.772 0 O-C-N 121.41 -0.806 . . . . 0.0 112.199 179.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 55.9 t -61.71 -26.72 40.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 O-C-N 119.764 -1.835 . . . . 0.0 112.342 174.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 31.1 ttp-105 -85.51 -37.91 19.15 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.425 1.09 . . . . 0.0 113.685 174.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -120.62 -26.59 5.28 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 116.3 1.963 . . . . 0.0 116.3 -167.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.41 ' CD2' ' CD1' ' A' ' 94' ' ' PHE . 6.7 tp -87.37 -19.73 27.72 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 126.012 1.725 . . . . 0.0 112.23 176.392 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -70.91 147.37 48.83 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.613 1.565 . . . . 0.0 113.366 169.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 60.26 -10.57 0.04 OUTLIER Glycine 0 CA--C 1.536 1.368 0 N-CA-C 122.013 3.565 . . . . 0.0 122.013 167.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -76.12 -83.4 0.07 Allowed 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 121.884 2.842 . . . . 0.0 110.387 -178.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 4.3 m -176.97 148.06 0.62 Allowed 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 129.792 3.237 . . . . 0.0 106.772 -177.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 15.9 tp -158.74 143.08 15.69 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 104.817 -2.29 . . . . 0.0 104.817 170.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 22.2 m 67.59 -49.94 0.51 Allowed 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.465 1.906 . . . . 0.0 111.262 -167.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 147.89 26.63 0.07 OUTLIER Glycine 0 CA--C 1.531 1.087 0 N-CA-C 118.662 2.225 . . . . 0.0 118.662 167.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 2.2 m -141.55 -73.29 0.33 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 120.247 2.023 . . . . 0.0 109.221 174.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -135.26 153.76 51.79 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.468 1.107 . . . . 0.0 111.691 179.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 8.6 p -143.89 144.17 23.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 C-N-CA 127.141 2.176 . . . . 0.0 108.557 169.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.38 129.35 18.48 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 126.065 1.746 . . . . 0.0 108.601 179.408 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 60.7 t -144.49 132.15 17.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 123.661 0.784 . . . . 0.0 108.958 -169.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -137.01 165.67 25.48 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.639 1.109 . . . . 0.0 111.378 177.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 16.0 tp -75.6 129.52 37.32 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 120.651 -1.28 . . . . 0.0 108.656 169.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 33.4 t . . . . . 0 N--CA 1.467 0.402 0 CA-C-O 121.531 0.682 . . . . 0.0 110.956 -173.484 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 . . . . . 0 CA--C 1.547 0.833 0 CA-C-O 120.945 0.402 . . . . 0.0 112.054 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.452 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 73.3 m-85 -125.97 158.44 35.23 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 127.515 2.326 . . . . 0.0 108.794 179.387 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 73.6 tttt -108.43 161.76 14.74 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.068 1.347 . . . . 0.0 111.575 -179.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 24.0 tp -142.11 142.68 32.81 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 127.024 2.13 . . . . 0.0 110.272 172.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.4 mp -117.17 127.48 74.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 126.164 1.786 . . . . 0.0 109.238 172.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.8 mp -109.16 64.79 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 129.046 2.938 . . . . 0.0 109.152 -174.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.1 t30 . . . . . 0 CA--C 1.549 0.94 0 C-N-CA 128.857 2.863 . . . . 0.0 117.016 -174.579 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . 0.278 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.978 0 N-CA-C 119.379 3.103 . . . . 0.0 119.379 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -172.94 -156.79 13.32 Favored Glycine 0 N--CA 1.469 0.867 0 N-CA-C 118.041 1.976 . . . . 0.0 118.041 170.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -145.35 163.89 33.16 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.831 1.653 . . . . 0.0 111.453 -176.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.3 t -159.01 -176.12 5.68 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.777 1.631 . . . . 0.0 111.015 170.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 65.8 p -142.9 168.16 20.37 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 126.244 1.818 . . . . 0.0 110.93 173.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.405 HG21 ' CG1' ' A' ' 29' ' ' VAL . 4.8 t -156.07 149.77 24.99 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.367 1.067 . . . . 0.0 111.085 177.418 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -77.63 119.24 20.9 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 167.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.45 175.4 9.64 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.284 1.434 . . . . 0.0 113.096 176.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.438 ' H ' ' HB ' ' A' ' 25' ' ' THR . 50.0 t -84.85 -38.44 13.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 O-C-N 121.345 -0.847 . . . . 0.0 111.673 170.56 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.452 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 2.8 t70 174.69 -156.8 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 131.248 3.819 . . . . 0.0 106.891 173.243 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.82 -21.44 1.68 Allowed 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 120.618 1.554 . . . . 0.0 114.082 169.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.18 -7.32 22.73 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.971 1.309 . . . . 0.0 113.848 173.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.438 ' HB ' ' H ' ' A' ' 21' ' ' VAL . 53.4 m -138.0 -36.1 0.62 Allowed 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.977 1.711 . . . . 0.0 112.218 176.364 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.9 -36.15 83.43 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.047 1.339 . . . . 0.0 110.594 175.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -77.66 5.51 9.09 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 114.993 1.479 . . . . 0.0 114.993 178.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.61 16.43 3.98 Favored 'General case' 0 N--CA 1.464 0.265 0 O-C-N 120.415 -1.428 . . . . 0.0 111.932 173.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.405 ' CG1' HG21 ' A' ' 18' ' ' THR . 3.1 p -124.38 -41.02 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 124.205 1.002 . . . . 0.0 112.411 -179.686 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -65.16 -29.62 70.47 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 118.997 -0.525 . . . . 0.0 111.826 170.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -55.22 -28.76 55.43 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.046 1.338 . . . . 0.0 113.146 177.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.44 -57.17 3.91 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 122.996 0.518 . . . . 0.0 110.445 175.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -63.69 -38.97 93.1 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.574 1.15 . . . . 0.0 112.473 -174.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.81 -52.78 62.81 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 125.204 1.402 . . . . 0.0 111.181 174.011 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 -63.2 -22.69 67.03 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 177.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -81.25 -27.81 35.02 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 119.336 0.971 . . . . 0.0 113.463 174.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -76.75 -45.25 29.92 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 107.132 -1.432 . . . . 0.0 107.132 168.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 139.23 -8.04 3.19 Favored Glycine 0 CA--C 1.529 0.952 0 C-N-CA 127.1 2.286 . . . . 0.0 114.159 167.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.7 m -70.08 153.77 8.44 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.109 0.964 . . . . 0.0 113.367 176.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -168.92 22.59 0.02 OUTLIER 'General case' 0 CA--C 1.56 1.336 0 N-CA-C 115.53 1.678 . . . . 0.0 115.53 169.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.99 -131.18 0.58 Allowed Glycine 0 CA--C 1.541 1.71 0 C-N-CA 127.299 2.38 . . . . 0.0 116.194 -171.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -71.77 81.4 0.87 Allowed 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.067 1.347 . . . . 0.0 112.621 -175.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 87.3 m95 -60.23 118.51 6.46 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 124.675 1.19 . . . . 0.0 110.836 179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.74 163.46 22.79 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 126.796 2.039 . . . . 0.0 110.916 -172.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -151.28 167.08 28.98 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.848 1.259 . . . . 0.0 111.219 177.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -139.65 125.26 19.32 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.57 1.548 . . . . 0.0 108.974 170.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.421 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 3.5 m-20 -84.48 -3.14 58.21 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 115.1 1.518 . . . . 0.0 115.1 -175.28 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -107.73 -29.49 9.08 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.066 1.346 . . . . 0.0 112.29 -178.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.1 t -111.63 0.46 16.37 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.671 0.789 . . . . 0.0 112.686 172.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.421 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 4.1 mmpt? 54.61 39.59 31.3 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 126.122 1.769 . . . . 0.0 113.008 169.472 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.9 m -122.74 108.8 13.46 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.93 1.292 . . . . 0.0 109.904 -170.222 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -64.71 161.64 17.46 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 122.395 1.093 . . . . 0.0 111.33 169.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 26.5 m -145.46 159.01 43.72 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 125.5 1.52 . . . . 0.0 107.519 169.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.2 p -148.28 124.03 2.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 C-N-CA 126.768 2.027 . . . . 0.0 106.473 171.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.6 m . . . . . 0 N--CA 1.474 0.749 0 CA-C-O 121.863 0.839 . . . . 0.0 111.328 -176.789 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . 0.253 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.974 0 CA-C-O 121.617 0.722 . . . . 0.0 112.555 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 55.8 t -127.27 143.47 40.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 127.733 2.413 . . . . 0.0 111.789 -168.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -93.94 148.82 21.78 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 126.295 1.838 . . . . 0.0 110.839 170.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -152.21 148.77 14.18 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.151 0 CA-C-O 122.706 1.241 . . . . 0.0 113.14 169.664 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.896 0 C-N-CA 125.435 1.493 . . . . 0.0 109.376 168.651 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.4 pttp . . . . . 0 N--CA 1.479 1.022 0 N-CA-C 119.578 3.177 . . . . 0.0 119.578 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 19.1 m -45.66 -56.88 4.69 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 126.076 1.75 . . . . 0.0 115.365 -169.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 50.9 tt0 -75.95 -43.93 42.47 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 121.454 -0.779 . . . . 0.0 111.219 -175.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.5 pp -60.98 -34.06 74.19 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 119.314 0.961 . . . . 0.0 112.034 177.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -63.37 -46.4 86.69 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 124.759 1.224 . . . . 0.0 111.707 177.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.2 -36.98 82.87 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 119.155 0.888 . . . . 0.0 112.197 170.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.06 -44.95 95.57 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.096 0.958 . . . . 0.0 111.567 -177.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.422 ' CD1' ' CD2' ' A' ' 130' ' ' LEU . 12.5 m-85 -66.6 -64.09 0.93 Allowed 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 124.898 1.279 . . . . 0.0 112.011 174.49 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.44 -19.18 46.53 Favored Glycine 0 CA--C 1.546 1.974 0 N-CA-C 115.323 0.889 . . . . 0.0 115.323 -173.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -54.94 -49.3 71.69 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.987 1.715 . . . . 0.0 113.218 168.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -69.61 -41.06 76.19 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.431 0.692 . . . . 0.0 111.125 176.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -172.13 155.58 23.89 Favored Glycine 0 N--CA 1.472 1.059 0 CA-C-O 118.177 -1.346 . . . . 0.0 113.51 169.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -57.18 141.67 94.42 Favored 'Trans proline' 0 N--CA 1.462 -0.362 0 CA-C-N 121.255 2.527 . . . . 0.0 114.562 -169.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 17.9 mt -87.05 159.27 19.01 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.461 1.504 . . . . 0.0 111.475 171.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 33.1 ttp-105 -118.78 -30.46 5.09 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.679 1.592 . . . . 0.0 111.983 171.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.2 m -144.96 148.56 33.94 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.821 1.249 . . . . 0.0 110.706 169.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 68.8 t -138.17 131.06 40.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 125.452 1.501 . . . . 0.0 107.749 171.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 77.1 t90 -139.38 144.08 38.02 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 125.333 1.453 . . . . 0.0 110.04 -170.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 10.5 m -144.53 155.52 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 C-N-CA 124.391 1.076 . . . . 0.0 108.887 177.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.403 0 C-N-CA 122.805 0.442 . . . . 0.0 110.187 176.425 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.544 0.734 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -163.61 175.92 10.17 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 -166.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -147.35 147.52 30.4 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.476 0.71 . . . . 0.0 111.733 172.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 17.1 m -135.5 170.8 18.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 O-C-N 120.734 -1.229 . . . . 0.0 112.993 178.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 48.9 tt0 -141.48 110.2 6.09 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 125.745 1.618 . . . . 0.0 107.785 179.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -75.86 160.56 29.81 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 173.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -58.01 -44.38 87.21 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.773 -0.579 . . . . 0.0 111.557 174.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -139.16 148.2 56.35 Favored Pre-proline 0 CA--C 1.546 0.802 0 O-C-N 120.956 -1.09 . . . . 0.0 111.531 -179.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_exo -49.74 -34.55 36.01 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 124.26 3.307 . . . . 0.0 115.253 177.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.34 -31.07 71.66 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 173.506 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -74.25 -44.43 52.99 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 118.327 0.512 . . . . 0.0 110.989 174.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.82 -39.21 88.16 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 172.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.13 -48.58 73.08 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 118.838 0.745 . . . . 0.0 112.324 176.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -58.04 -42.19 84.84 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 118.932 0.787 . . . . 0.0 111.817 174.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.78 -62.82 1.4 Allowed 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 123.146 0.579 . . . . 0.0 109.949 177.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 46.5 t -50.2 -40.46 17.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.559 1.144 . . . . 0.0 112.276 -179.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 37.9 ttp-105 -63.27 -42.06 99.09 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 177.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -102.06 -12.97 17.73 Favored 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 115.764 1.764 . . . . 0.0 115.764 -177.311 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.422 ' CD2' ' CD1' ' A' ' 94' ' ' PHE . 12.3 tp -106.63 -18.19 14.03 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 126.222 1.809 . . . . 0.0 113.584 -169.145 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -81.84 158.93 23.86 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 124.966 1.306 . . . . 0.0 113.149 177.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 60.17 -17.39 0.04 OUTLIER Glycine 0 CA--C 1.54 1.608 0 C-N-CA 129.129 3.252 . . . . 0.0 120.265 169.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 60.7 mtt85 -86.82 -37.48 17.73 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-N 119.413 1.607 . . . . 0.0 114.932 -169.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.4 t 123.57 160.23 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.627 1 C-N-CA 133.541 4.737 . . . . 0.0 110.245 -178.248 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 58.1 tp -161.66 138.89 8.65 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 127.664 2.386 . . . . 0.0 105.599 -178.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 53.0 m 66.17 -54.4 0.39 Allowed 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 125.002 1.321 . . . . 0.0 110.528 -167.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 141.7 60.64 0.03 OUTLIER Glycine 0 C--N 1.349 1.259 0 N-CA-C 118.544 2.178 . . . . 0.0 118.544 167.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 43.8 t -155.5 -61.77 0.11 Allowed 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 118.999 1.4 . . . . 0.0 111.721 169.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -164.56 150.06 10.17 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 126.283 1.833 . . . . 0.0 109.901 174.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 9.2 p -133.32 145.63 33.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 124.118 0.967 . . . . 0.0 112.397 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.99 121.78 28.69 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 128.015 2.526 . . . . 0.0 107.097 169.549 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 24.0 t -138.49 126.59 29.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 106.756 -1.572 . . . . 0.0 106.756 176.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -144.47 177.34 8.72 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 121.034 -1.041 . . . . 0.0 111.765 -169.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 9.5 mp -83.69 128.13 34.3 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 120.246 -1.534 . . . . 0.0 108.252 169.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.475 0.824 0 C-N-CA 123.179 0.592 . . . . 0.0 111.458 177.12 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 . . . . . 0 N--CA 1.472 0.634 0 CA-C-O 121.265 0.555 . . . . 0.0 111.73 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.436 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 81.1 m-85 -122.53 153.17 39.57 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 127.158 2.183 . . . . 0.0 108.527 -175.473 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -105.95 163.13 13.0 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.344 1.058 . . . . 0.0 111.285 178.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.9 tp -144.18 139.14 28.59 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 127.023 2.129 . . . . 0.0 109.819 172.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.6 mp -115.0 109.02 26.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 125.867 1.667 . . . . 0.0 108.324 171.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 78.4 mt -77.35 74.79 3.91 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 124.804 1.242 . . . . 0.0 109.153 169.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.412 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 26.7 t30 . . . . . 0 CA--C 1.553 1.096 0 C-N-CA 125.825 1.65 . . . . 0.0 114.813 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.403 ' HE2' ' H ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.472 0.67 0 N-CA-C 119.308 3.077 . . . . 0.0 119.308 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -166.63 -155.14 8.75 Favored Glycine 0 CA--C 1.533 1.188 0 CA-C-N 114.043 -1.435 . . . . 0.0 115.885 169.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -158.93 163.76 36.24 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.773 1.629 . . . . 0.0 112.275 -175.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.8 t -159.0 -174.96 5.01 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 126.185 1.794 . . . . 0.0 110.391 174.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 78.2 p -141.01 172.26 12.92 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.612 1.565 . . . . 0.0 110.522 172.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.3 t -158.88 152.47 23.01 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 121.131 -0.98 . . . . 0.0 111.538 173.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -79.29 123.61 27.61 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 167.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -143.93 173.93 11.28 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.115 1.766 . . . . 0.0 112.077 -178.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.1 p -86.36 -31.61 6.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 O-C-N 121.567 -0.708 . . . . 0.0 112.75 171.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.436 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 2.1 t70 167.82 -157.79 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.077 1 C-N-CA 131.992 4.117 . . . . 0.0 107.588 176.017 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.62 -22.49 2.04 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 120.439 -1.413 . . . . 0.0 114.194 169.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.95 -4.68 13.87 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.28 1.032 . . . . 0.0 113.756 173.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.5 m -137.07 -37.29 0.65 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.482 1.513 . . . . 0.0 112.278 173.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.22 -38.73 91.34 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.726 1.21 . . . . 0.0 111.088 176.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -74.51 3.3 7.85 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 179.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.65 19.96 4.26 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 125.557 1.543 . . . . 0.0 111.729 174.447 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.8 t -124.15 -48.94 2.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 124.94 1.296 . . . . 0.0 109.892 177.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -62.5 -29.74 70.76 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 176.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -55.82 -32.55 63.67 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.192 0.997 . . . . 0.0 112.249 174.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -75.47 -51.69 12.43 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.239 0.616 . . . . 0.0 109.951 -179.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -61.62 -43.6 98.55 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.896 1.278 . . . . 0.0 112.529 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.74 -50.78 71.2 Favored 'General case' 0 N--CA 1.453 -0.281 0 O-C-N 121.267 -0.896 . . . . 0.0 111.249 178.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -70.88 -18.87 62.67 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-O 117.847 -1.073 . . . . 0.0 113.5 -179.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . 0.316 1.4 p30 -88.91 -17.79 28.84 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 120.146 1.339 . . . . 0.0 114.002 172.727 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 -81.79 -40.63 22.31 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 166.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.19 -3.56 7.28 Favored Glycine 0 CA--C 1.534 1.267 0 C-N-CA 128.698 3.047 . . . . 0.0 114.909 173.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.4 t -75.41 150.01 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 CA-C-N 118.898 1.349 . . . . 0.0 111.366 179.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -167.76 89.59 0.3 Allowed 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 113.522 -1.672 . . . . 0.0 108.772 167.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.565 ' H ' HG22 ' A' ' 54' ' ' VAL . . . -119.15 -149.64 8.57 Favored Glycine 0 CA--C 1.534 1.275 0 N-CA-C 116.992 1.557 . . . . 0.0 116.992 -178.346 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -67.24 88.99 0.19 Allowed 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.613 1.165 . . . . 0.0 111.719 174.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 82.1 m95 -61.54 116.51 4.78 Favored 'General case' 0 C--O 1.234 0.274 0 O-C-N 120.822 -1.174 . . . . 0.0 110.381 179.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.11 163.83 24.63 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 126.862 2.065 . . . . 0.0 110.811 -171.2 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -154.72 165.2 37.31 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.344 1.058 . . . . 0.0 111.975 -178.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -143.14 151.47 40.73 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.913 2.085 . . . . 0.0 109.647 -176.033 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.459 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -123.7 5.52 8.83 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 114.994 1.479 . . . . 0.0 114.994 -177.296 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -93.49 -29.53 15.49 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.718 1.207 . . . . 0.0 110.639 169.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.73 -7.22 4.56 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.021 0.928 . . . . 0.0 113.274 -176.054 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.459 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 1.8 mmpt? 61.01 44.49 10.32 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 126.191 1.797 . . . . 0.0 112.753 179.254 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 89.2 m -117.83 108.08 14.91 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.781 0.833 . . . . 0.0 111.547 -172.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -63.4 159.93 17.21 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 122.025 0.917 . . . . 0.0 110.712 168.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.5 m -146.06 158.97 43.88 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 124.989 1.316 . . . . 0.0 107.942 170.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.565 HG22 ' H ' ' A' ' 41' ' ' GLY . 14.0 p -152.29 89.49 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 122.399 1.095 . . . . 0.0 111.129 177.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.412 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 18.3 m . . . . . 0 N--CA 1.472 0.653 0 CA-C-O 122.294 1.045 . . . . 0.0 112.236 -178.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.471 0.581 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 82.7 t -122.4 137.62 55.3 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 C-N-CA 125.061 1.344 . . . . 0.0 112.298 -167.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -91.16 150.12 21.51 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 124.763 1.225 . . . . 0.0 109.25 168.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -146.37 133.51 14.6 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.261 0 CA-C-O 121.331 0.586 . . . . 0.0 110.551 169.069 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.736 0 N-CA-C 116.061 1.184 . . . . 0.0 116.061 178.53 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.5 pttp . . . . . 0 N--CA 1.487 1.376 0 N-CA-C 120.881 3.66 . . . . 0.0 120.881 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 95.8 m -47.5 -49.1 26.76 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 126.894 2.078 . . . . 0.0 114.619 -168.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -77.44 -44.84 27.66 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 119.006 0.821 . . . . 0.0 111.553 -178.14 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.3 pp -62.52 -35.66 80.12 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 119.626 1.103 . . . . 0.0 111.71 177.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -64.37 -47.65 78.49 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.563 1.545 . . . . 0.0 112.027 178.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.8 ppt_? -66.59 -38.52 87.2 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 118.938 0.79 . . . . 0.0 111.485 171.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.36 -40.95 98.08 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 123.904 0.882 . . . . 0.0 111.702 -177.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -69.42 -64.92 0.78 Allowed 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 124.076 0.95 . . . . 0.0 111.803 172.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -57.85 -18.62 33.33 Favored Glycine 0 CA--C 1.548 2.106 0 N-CA-C 115.706 1.043 . . . . 0.0 115.706 -175.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -53.41 -49.94 66.22 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.525 1.93 . . . . 0.0 112.879 168.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -70.69 -44.43 67.0 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.643 0.777 . . . . 0.0 111.079 178.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -168.78 160.19 33.57 Favored Glycine 0 N--CA 1.478 1.44 0 CA-C-O 118.472 -1.182 . . . . 0.0 113.266 174.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -67.06 138.63 48.23 Favored 'Trans proline' 0 CA--C 1.534 0.493 0 CA-C-N 121.417 2.609 . . . . 0.0 113.577 -169.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 14.7 mt -77.91 154.74 31.39 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.631 1.572 . . . . 0.0 112.181 177.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 26.2 ttp180 -110.02 -27.64 9.1 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 126.576 1.95 . . . . 0.0 111.975 170.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 13.8 m -157.6 151.43 24.2 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.227 1.411 . . . . 0.0 111.997 169.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 72.2 t -137.5 131.21 43.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 125.34 1.456 . . . . 0.0 109.046 170.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.427 ' CH2' ' HA ' ' A' ' 106' ' ' ALA . 65.2 t90 -137.32 144.01 42.38 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 127.326 2.251 . . . . 0.0 108.749 -178.449 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 35.8 m -142.95 30.05 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.352 0 CA-C-O 123.503 1.621 . . . . 0.0 112.848 -169.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.427 ' HA ' ' CH2' ' A' ' 104' ' ' TRP . . . . . . . . 0 CA--C 1.546 0.789 0 C-N-CA 130.549 3.54 . . . . 0.0 117.589 -171.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . 0.277 0.0 OUTLIER . . . . . 0 CA--C 1.54 0.57 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -174.6 173.07 2.94 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 127.713 2.405 . . . . 0.0 110.652 -170.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -145.16 141.36 28.67 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.026 0.93 . . . . 0.0 110.106 170.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 9.7 m -135.57 172.34 15.91 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 O-C-N 120.667 -1.27 . . . . 0.0 112.658 -177.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -147.67 137.97 23.04 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 124.727 1.211 . . . . 0.0 109.208 169.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -96.75 168.83 10.27 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.18 0.992 . . . . 0.0 112.444 178.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -70.52 -27.74 64.41 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 172.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -144.78 126.67 8.0 Favored Pre-proline 0 CA--C 1.548 0.89 0 C-N-CA 124.569 1.148 . . . . 0.0 111.243 -172.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -68.67 -20.14 40.82 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 123.582 2.855 . . . . 0.0 114.144 -174.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 21.1 ttp-105 -59.63 -49.11 79.01 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 120.211 1.369 . . . . 0.0 109.411 169.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -76.29 -33.99 59.09 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.949 -176.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.03 -43.59 91.65 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.301 0.641 . . . . 0.0 111.552 169.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -68.8 -41.86 78.13 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.636 0.775 . . . . 0.0 111.914 178.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -61.59 -41.0 96.77 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 118.515 0.598 . . . . 0.0 111.579 174.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.76 -55.75 20.82 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.343 1.057 . . . . 0.0 110.984 174.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 24.3 t -51.13 -47.54 31.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 125.271 1.429 . . . . 0.0 111.66 176.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 32.4 ttp-105 -57.62 -44.09 85.25 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.089 0.956 . . . . 0.0 111.839 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -95.73 -13.52 24.11 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 114.828 1.418 . . . . 0.0 114.828 -172.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 32.6 mt -87.01 -39.61 15.5 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.292 1.437 . . . . 0.0 113.331 175.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -63.0 149.08 45.82 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 114.621 1.341 . . . . 0.0 114.621 -169.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 61.19 -14.75 0.05 OUTLIER Glycine 0 CA--C 1.541 1.712 0 N-CA-C 120.292 2.877 . . . . 0.0 120.292 168.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 69.8 mtt85 -81.14 -65.56 1.0 Allowed 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 119.059 1.43 . . . . 0.0 113.425 -168.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 6.1 m 149.47 143.32 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.324 1 C-N-CA 131.97 4.108 . . . . 0.0 106.934 -169.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 42.3 tp -146.63 -59.59 0.29 Allowed 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.286 0.635 . . . . 0.0 111.098 175.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 15.8 t -91.62 -46.56 7.87 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.405 0.682 . . . . 0.0 110.648 171.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 155.47 51.16 0.01 OUTLIER Glycine 0 CA--C 1.533 1.195 0 N-CA-C 114.963 0.745 . . . . 0.0 114.963 170.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 5.8 t -149.27 -153.74 0.51 Allowed 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 124.503 1.121 . . . . 0.0 111.654 -172.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -110.77 61.96 0.61 Allowed 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 127.081 2.152 . . . . 0.0 110.396 -174.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 48.9 t -43.29 136.43 0.91 Allowed 'Isoleucine or valine' 0 CA--C 1.519 -0.244 0 C-N-CA 128.967 2.907 . . . . 0.0 113.932 -167.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.51 124.27 41.91 Favored 'General case' 0 CA--C 1.512 -0.505 0 C-N-CA 126.403 1.881 . . . . 0.0 106.46 169.478 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 78.5 t -141.22 115.33 5.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 105.5 -2.037 . . . . 0.0 105.5 170.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -141.69 -178.5 5.68 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 118.956 0.798 . . . . 0.0 112.871 -167.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 13.7 tp -80.61 128.73 33.95 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 120.753 -1.217 . . . . 0.0 108.272 168.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 59.9 p . . . . . 0 CA--C 1.543 0.678 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 -171.811 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 . . . . . 0 CA--C 1.545 0.755 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -127.75 158.32 37.98 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 127.553 2.341 . . . . 0.0 108.885 176.86 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -109.51 161.88 14.91 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.945 1.298 . . . . 0.0 111.568 -179.039 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 17.5 tp -143.15 140.84 30.98 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 126.676 1.99 . . . . 0.0 110.547 173.495 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mp -114.9 129.8 70.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 126.644 1.978 . . . . 0.0 107.853 169.454 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 78.0 mt -106.93 69.39 0.76 Allowed 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 127.951 2.5 . . . . 0.0 110.721 173.262 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 . . . . . 0 CA--C 1.545 0.76 0 O-C-N 120.678 -1.264 . . . . 0.0 111.139 169.329 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.9 0 N-CA-C 115.716 1.747 . . . . 0.0 115.716 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -161.46 -171.0 26.91 Favored Glycine 0 C--O 1.223 -0.539 0 N-CA-C 118.537 2.175 . . . . 0.0 118.537 172.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -152.2 156.85 40.56 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.23 1.412 . . . . 0.0 111.812 178.01 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.1 t -158.45 -176.15 5.73 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 126.123 1.769 . . . . 0.0 110.074 -175.544 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 65.3 p -142.51 169.97 16.59 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.506 1.523 . . . . 0.0 111.095 176.738 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.404 HG23 ' CG1' ' A' ' 29' ' ' VAL . 4.9 t -155.65 149.56 25.39 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.328 1.051 . . . . 0.0 111.06 176.589 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -77.5 119.92 21.76 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 107.394 -1.335 . . . . 0.0 107.394 167.78 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.01 175.89 9.17 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.001 1.32 . . . . 0.0 113.43 177.358 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.46 ' H ' ' HB ' ' A' ' 25' ' ' THR . 68.0 t -81.4 -46.61 20.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 O-C-N 121.291 -0.881 . . . . 0.0 110.584 169.566 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.6 t70 178.32 -156.95 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 130.846 3.658 . . . . 0.0 106.098 177.22 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.03 -20.72 1.49 Allowed 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 120.92 1.691 . . . . 0.0 114.36 170.504 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.93 -9.71 23.34 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.452 1.101 . . . . 0.0 113.808 172.17 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.46 ' HB ' ' H ' ' A' ' 21' ' ' VAL . 54.5 m -140.76 -31.85 0.59 Allowed 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.739 1.616 . . . . 0.0 112.518 178.86 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.57 -36.65 79.05 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.58 1.152 . . . . 0.0 110.62 173.25 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -78.99 6.57 9.01 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 114.832 1.419 . . . . 0.0 114.832 179.625 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.64 19.12 3.89 Favored 'General case' 0 N--CA 1.463 0.204 0 O-C-N 120.573 -1.33 . . . . 0.0 111.408 172.893 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.404 ' CG1' HG23 ' A' ' 18' ' ' THR . 3.6 p -125.73 -42.13 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 124.021 0.929 . . . . 0.0 112.263 178.248 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -64.77 -26.22 68.26 Favored 'General case' 0 C--O 1.224 -0.273 0 O-C-N 121.706 -0.621 . . . . 0.0 112.246 170.261 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -56.67 -28.38 60.64 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.883 1.273 . . . . 0.0 112.855 173.935 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -79.85 -52.22 8.17 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 118.706 0.685 . . . . 0.0 110.79 176.645 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -62.48 -41.0 98.49 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.215 1.006 . . . . 0.0 112.222 -179.337 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.49 -49.51 77.26 Favored 'General case' 0 N--CA 1.453 -0.286 0 O-C-N 121.317 -0.864 . . . . 0.0 111.426 -179.355 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 59.0 m-80 -69.91 -19.98 63.38 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 178.708 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -79.54 -30.91 41.95 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 173.639 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 57.5 m-80 -80.83 -32.28 35.24 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 118.4 0.545 . . . . 0.0 109.549 168.688 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.36 12.93 9.3 Favored Glycine 0 CA--C 1.53 1.003 0 C-N-CA 128.125 2.774 . . . . 0.0 116.2 169.193 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 51.9 t -92.6 150.82 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.881 1.273 . . . . 0.0 112.105 172.721 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -165.22 51.35 0.1 Allowed 'General case' 0 CA--C 1.548 0.886 0 CA-C-O 123.03 1.395 . . . . 0.0 110.276 168.414 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -75.85 -149.25 2.47 Favored Glycine 0 CA--C 1.544 1.883 0 C-N-CA 125.304 1.431 . . . . 0.0 115.767 178.874 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -69.22 92.9 0.58 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.275 1.43 . . . . 0.0 112.438 179.827 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 96.0 m95 -65.41 113.1 3.87 Favored 'General case' 0 C--O 1.235 0.339 0 O-C-N 120.677 -1.264 . . . . 0.0 109.975 179.526 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 24.6 m -133.07 161.53 34.13 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 127.898 2.479 . . . . 0.0 108.502 -169.215 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -155.07 167.71 29.46 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.855 1.262 . . . . 0.0 111.116 -169.659 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -141.37 150.43 42.4 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.23 1.412 . . . . 0.0 110.368 176.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.468 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -115.49 5.09 14.38 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 -176.61 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -102.46 -29.78 11.4 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.782 1.633 . . . . 0.0 111.71 171.234 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.0 t -125.45 2.04 7.67 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.329 1.052 . . . . 0.0 113.469 178.053 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.468 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 3.2 mmpt? 51.29 42.61 29.17 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.032 1.333 . . . . 0.0 113.191 168.821 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.8 m -120.62 111.74 18.02 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 125.907 1.683 . . . . 0.0 109.0 -171.355 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -65.04 156.63 30.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 122.1 0.952 . . . . 0.0 109.836 169.173 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.5 m -146.73 137.1 23.71 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 106.737 -1.579 . . . . 0.0 106.737 169.745 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.6 p -131.04 125.74 58.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 175.681 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 89.9 m . . . . . 0 N--CA 1.469 0.478 0 C-N-CA 123.203 0.601 . . . . 0.0 110.475 -169.848 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 54.9 mttp . . . . . 0 N--CA 1.47 0.525 0 CA-C-O 122.226 1.012 . . . . 0.0 112.139 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.3 t -139.53 137.75 40.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 125.953 1.701 . . . . 0.0 111.539 -170.082 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -88.85 146.54 24.9 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 125.65 1.58 . . . . 0.0 108.006 167.666 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -149.15 154.57 9.4 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.441 0 CA-C-O 122.316 1.055 . . . . 0.0 111.333 171.031 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.744 0 N-CA-C 108.367 -1.893 . . . . 0.0 108.367 168.095 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.472 0.657 0 N-CA-C 115.767 1.766 . . . . 0.0 115.767 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 32.8 m -51.54 -64.19 0.89 Allowed 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 115.584 1.698 . . . . 0.0 115.584 -168.133 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -75.06 -41.42 59.05 Favored 'General case' 0 CA--C 1.53 0.183 0 O-C-N 121.041 -1.037 . . . . 0.0 110.857 -174.682 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.9 pp -58.79 -35.93 73.62 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 119.551 1.069 . . . . 0.0 111.806 176.033 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -60.93 -48.13 83.23 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 119.578 1.081 . . . . 0.0 112.335 174.57 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.94 -40.1 91.05 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 119.564 1.075 . . . . 0.0 111.992 174.36 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.8 -39.21 93.71 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 124.427 1.091 . . . . 0.0 112.018 -178.01 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.443 ' CD2' HG23 ' A' ' 115' ' ' VAL . 10.7 m-85 -72.07 -63.15 1.2 Allowed 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 125.346 1.458 . . . . 0.0 111.968 173.301 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -62.09 -13.8 43.48 Favored Glycine 0 CA--C 1.544 1.856 0 N-CA-C 115.557 0.983 . . . . 0.0 115.557 -176.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -55.07 -47.1 75.31 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.629 1.571 . . . . 0.0 111.695 167.392 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -67.39 -45.33 76.52 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.773 0.829 . . . . 0.0 110.116 172.776 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 174.46 165.02 30.31 Favored Glycine 0 N--CA 1.476 1.301 0 N-CA-C 115.363 0.905 . . . . 0.0 115.363 169.082 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -57.65 138.74 87.59 Favored 'Trans proline' 0 CA--C 1.536 0.591 0 C-N-CA 122.744 2.296 . . . . 0.0 114.688 -168.277 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.04 142.47 47.36 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.019 1.328 . . . . 0.0 112.101 173.514 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 15.3 ttm-85 -75.17 -33.9 61.52 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.802 1.641 . . . . 0.0 111.128 179.754 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 14.3 m -151.4 153.18 34.21 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 113.502 0.926 . . . . 0.0 113.502 178.822 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 2.4 m -130.13 137.96 55.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 C-N-CA 128.558 2.743 . . . . 0.0 106.85 169.869 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.469 ' CH2' ' HA ' ' A' ' 106' ' ' ALA . 73.9 t90 -141.79 147.92 38.07 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 124.933 1.293 . . . . 0.0 110.798 -175.559 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 24.3 m -143.26 154.49 16.73 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 C-N-CA 125.607 1.563 . . . . 0.0 109.271 174.414 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.469 ' HA ' ' CH2' ' A' ' 104' ' ' TRP . . . . . . . . 0 CA--C 1.538 0.491 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -170.308 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . 0.262 1.8 p90 . . . . . 0 CA--C 1.548 0.876 0 CA-C-O 121.727 0.775 . . . . 0.0 111.742 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -157.0 172.02 19.43 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 127.796 2.439 . . . . 0.0 112.575 -167.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -145.46 168.43 20.57 Favored 'General case' 0 N--CA 1.484 1.244 0 O-C-N 121.34 -0.85 . . . . 0.0 112.651 172.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.443 HG23 ' CD2' ' A' ' 94' ' ' PHE . 1.4 t -153.12 162.26 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 126.112 1.765 . . . . 0.0 111.824 -174.898 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -137.58 107.65 6.37 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.257 1.023 . . . . 0.0 109.666 165.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.403 ' CZ ' ' HB3' ' A' ' 94' ' ' PHE . 44.8 m-85 -78.05 152.68 32.85 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.74 1.616 . . . . 0.0 111.452 169.563 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -73.98 -57.03 4.24 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.297 -0.877 . . . . 0.0 111.757 176.648 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -82.52 124.29 77.9 Favored Pre-proline 0 CA--C 1.545 0.78 0 O-C-N 121.462 -0.774 . . . . 0.0 109.431 173.445 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -61.33 -20.07 66.71 Favored 'Trans proline' 0 CA--C 1.539 0.73 0 C-N-CA 121.82 1.68 . . . . 0.0 112.976 172.932 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.54 -27.25 62.11 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 120.979 -1.076 . . . . 0.0 112.709 169.921 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -67.91 -43.79 78.44 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 120.009 1.277 . . . . 0.0 110.296 169.726 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.08 -40.29 93.14 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 122.957 0.503 . . . . 0.0 112.244 172.002 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.28 -48.76 76.77 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 118.735 0.698 . . . . 0.0 112.196 174.757 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -60.2 -39.6 87.12 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.433 1.015 . . . . 0.0 112.499 174.387 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.25 -59.22 5.65 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 123.848 0.859 . . . . 0.0 109.779 175.672 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 45.0 t -49.09 -45.43 16.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 CA-C-N 119.752 1.16 . . . . 0.0 112.287 173.768 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -63.39 -36.94 85.38 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 126.142 1.777 . . . . 0.0 112.772 -176.014 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -106.34 -19.43 13.7 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 -176.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 94.9 mt -97.38 -33.24 11.49 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.082 1.353 . . . . 0.0 113.931 -177.666 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -64.91 113.38 3.81 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 120.261 1.391 . . . . 0.0 112.599 -169.824 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 70.65 14.9 72.94 Favored Glycine 0 CA--C 1.54 1.622 0 N-CA-C 115.14 0.816 . . . . 0.0 115.14 -173.449 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.01 97.46 6.96 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 126.107 1.763 . . . . 0.0 110.005 178.953 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 19.0 m -9.47 110.01 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 130.463 3.505 . . . . 0.0 114.99 171.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.85 138.59 25.75 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 127.786 2.434 . . . . 0.0 105.836 -179.479 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 68.5 m 64.68 -41.0 0.27 Allowed 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 126.478 1.911 . . . . 0.0 111.55 -166.23 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 113.63 47.79 0.61 Allowed Glycine 0 CA--C 1.528 0.894 0 N-CA-C 119.126 2.41 . . . . 0.0 119.126 165.763 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 4.7 t -151.83 -39.27 0.11 Allowed 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 118.634 1.217 . . . . 0.0 112.994 169.073 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.96 156.9 1.82 Allowed 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 128.029 2.532 . . . . 0.0 110.618 169.12 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 32.9 m -141.73 162.47 20.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 169.851 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.3 141.1 47.81 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 129.174 2.989 . . . . 0.0 106.747 169.042 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 60.2 t -149.4 124.65 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 CA-C-N 119.846 1.203 . . . . 0.0 108.653 169.551 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -140.84 167.53 21.96 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 120.356 1.434 . . . . 0.0 111.101 178.938 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 71.1 mt -74.6 147.73 41.4 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 120.067 -1.645 . . . . 0.0 108.367 168.331 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 87.9 p . . . . . 0 N--CA 1.473 0.694 0 CA-C-N 119.321 0.964 . . . . 0.0 111.796 -178.892 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 . . . . . 0 N--CA 1.47 0.527 0 CA-C-O 121.198 0.523 . . . . 0.0 111.468 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -125.82 154.27 42.86 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 126.644 1.978 . . . . 0.0 108.762 -175.701 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -105.05 161.46 14.2 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.512 1.125 . . . . 0.0 111.375 -179.587 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.3 tp -142.98 139.47 30.64 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 126.145 1.778 . . . . 0.0 110.31 172.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mp -116.04 111.31 34.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 126.128 1.771 . . . . 0.0 108.444 171.756 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 71.3 mt -80.92 72.12 7.91 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.893 1.677 . . . . 0.0 110.597 169.707 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 57.3 m-20 . . . . . 0 CA--C 1.561 1.393 0 C-N-CA 125.956 1.702 . . . . 0.0 114.348 169.571 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.402 ' HE2' ' H ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.321 0 N-CA-C 117.261 2.319 . . . . 0.0 117.261 . . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -175.3 -153.91 10.72 Favored Glycine 0 CA--C 1.529 0.948 0 N-CA-C 116.691 1.436 . . . . 0.0 116.691 169.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -152.51 159.36 43.32 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 119.12 1.46 . . . . 0.0 113.776 -173.15 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.7 t -158.85 -175.84 5.52 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.555 1.942 . . . . 0.0 110.675 -177.148 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.7 p -141.49 171.96 13.34 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.564 1.546 . . . . 0.0 110.987 173.748 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.4 t -156.68 155.02 31.02 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.592 1.157 . . . . 0.0 110.921 179.496 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -85.29 125.63 33.07 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 107.745 -1.205 . . . . 0.0 107.745 167.658 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -143.09 173.34 11.66 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.921 1.688 . . . . 0.0 112.735 179.429 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.417 ' H ' ' HB ' ' A' ' 25' ' ' THR . 4.3 p -87.25 -31.06 5.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 O-C-N 121.24 -0.912 . . . . 0.0 112.94 170.896 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.5 t70 168.12 -157.68 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.074 1 C-N-CA 132.488 4.315 . . . . 0.0 107.102 173.71 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.63 -22.66 2.13 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 120.593 1.542 . . . . 0.0 114.415 171.755 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.95 -8.43 22.54 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.181 0.992 . . . . 0.0 113.612 173.347 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.417 ' HB ' ' H ' ' A' ' 21' ' ' VAL . 20.4 m -134.71 -36.17 0.86 Allowed 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 125.692 1.597 . . . . 0.0 112.436 173.411 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.67 -35.14 80.08 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.301 1.041 . . . . 0.0 110.692 176.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -78.14 5.49 10.02 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 176.608 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.68 20.23 3.31 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 120.335 -1.478 . . . . 0.0 111.755 174.795 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.0 p -123.98 -42.23 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 C-N-CA 124.37 1.068 . . . . 0.0 111.905 177.126 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -68.64 -25.15 64.69 Favored 'General case' 0 C--O 1.226 -0.166 0 C-N-CA 123.565 0.746 . . . . 0.0 112.875 173.421 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -54.82 -30.58 57.69 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.264 1.426 . . . . 0.0 112.997 175.132 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -81.7 -50.64 9.06 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.94 0.896 . . . . 0.0 110.67 179.408 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -60.1 -41.88 93.48 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.273 1.029 . . . . 0.0 112.101 177.327 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.21 -53.06 62.59 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.7 0.8 . . . . 0.0 111.015 178.861 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 -65.79 -23.25 66.66 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.012 0.925 . . . . 0.0 113.195 178.4 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -80.05 -29.99 39.32 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 118.9 0.773 . . . . 0.0 112.955 176.09 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 54.7 m-80 -76.59 -44.62 33.67 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 168.026 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 126.04 14.59 3.01 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 128.258 2.837 . . . . 0.0 115.5 171.864 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 93.7 t -87.95 151.34 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 125.595 1.558 . . . . 0.0 111.479 170.159 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -166.48 46.43 0.07 Allowed 'General case' 0 CA--C 1.548 0.897 0 CA-C-O 122.272 1.034 . . . . 0.0 111.121 168.109 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -72.14 -157.57 3.38 Favored Glycine 0 CA--C 1.54 1.644 0 C-N-CA 125.371 1.462 . . . . 0.0 115.835 -176.327 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -62.0 125.09 22.66 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 121.137 -1.214 . . . . 0.0 108.865 170.844 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 89.0 m95 -91.55 133.0 35.9 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.473 1.033 . . . . 0.0 110.374 178.186 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -139.12 160.91 38.68 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 127.462 2.305 . . . . 0.0 109.532 -173.325 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -155.01 166.31 33.98 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.216 1.406 . . . . 0.0 110.69 -173.577 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -140.54 139.02 34.95 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.977 1.311 . . . . 0.0 110.445 175.451 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.443 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 31.6 t70 -93.54 -8.55 41.03 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 114.906 1.447 . . . . 0.0 114.906 -175.459 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -102.68 -28.72 11.95 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.172 1.389 . . . . 0.0 112.001 -178.548 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.6 t -117.03 -0.24 12.21 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.103 0.961 . . . . 0.0 113.129 175.65 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.443 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 3.6 mmpt? 51.08 42.47 28.64 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.565 1.546 . . . . 0.0 113.01 169.564 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 51.6 m -123.14 112.03 17.23 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 125.553 1.541 . . . . 0.0 109.259 -171.475 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -67.1 158.71 30.45 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 124.177 0.991 . . . . 0.0 110.487 169.492 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 22.9 m -149.52 130.24 14.12 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 171.742 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.1 p -122.12 110.93 28.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 124.57 1.148 . . . . 0.0 109.984 177.402 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 99.1 m . . . . . 0 N--CA 1.471 0.607 0 C-N-CA 123.76 0.824 . . . . 0.0 109.7 -169.94 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 23.4 tttp . . . . . 0 N--CA 1.473 0.698 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 39.2 t -116.28 137.83 48.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 CA-C-O 121.946 0.879 . . . . 0.0 112.603 -167.482 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -95.88 150.43 20.44 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 127.447 2.299 . . . . 0.0 110.344 169.695 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -147.96 140.35 18.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.346 0.593 . . . . 0.0 110.857 169.474 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.119 0 N-CA-C 116.655 1.422 . . . . 0.0 116.655 -179.172 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.222 -0.38 0 N-CA-C 116.436 2.013 . . . . 0.0 116.436 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 60.0 m -51.32 -56.29 13.87 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 115.725 1.75 . . . . 0.0 115.725 -168.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -74.44 -44.36 52.12 Favored 'General case' 0 C--N 1.344 0.327 0 CA-C-N 119.832 1.196 . . . . 0.0 110.924 -178.628 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . 0.255 3.5 pp -59.87 -36.19 76.39 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 119.72 1.145 . . . . 0.0 112.073 179.206 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -60.0 -49.84 76.07 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 124.308 1.043 . . . . 0.0 112.589 172.746 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.2 ppt_? -63.83 -35.69 81.44 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 119.732 1.151 . . . . 0.0 112.216 173.506 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.93 -41.15 71.56 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 123.616 0.767 . . . . 0.0 111.997 -175.056 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.425 ' CD1' ' CD2' ' A' ' 130' ' ' LEU . 15.7 m-85 -67.86 -61.61 1.79 Allowed 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 123.812 0.845 . . . . 0.0 110.141 172.194 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.39 -18.11 42.14 Favored Glycine 0 CA--C 1.546 2.006 0 N-CA-C 115.695 1.038 . . . . 0.0 115.695 -176.934 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -55.2 -48.12 74.31 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 126.028 1.731 . . . . 0.0 112.165 167.882 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -67.18 -43.38 82.31 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.71 0.804 . . . . 0.0 110.453 174.02 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 177.29 164.36 30.79 Favored Glycine 0 N--CA 1.476 1.331 0 CA-C-O 119.028 -0.873 . . . . 0.0 114.571 169.495 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -57.66 129.39 33.4 Favored 'Trans proline' 0 N--CA 1.46 -0.492 0 C-N-CA 122.667 2.245 . . . . 0.0 115.121 -168.312 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 19.2 mt -73.58 157.69 36.21 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 113.006 -1.906 . . . . 0.0 111.728 170.08 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -118.18 -30.62 5.24 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.015 1.326 . . . . 0.0 111.537 172.406 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 7.5 m -141.17 142.37 34.03 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.438 1.095 . . . . 0.0 110.693 171.557 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 15.4 t -140.94 124.5 16.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 124.86 1.264 . . . . 0.0 108.374 176.618 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 83.7 t90 -141.67 148.47 39.19 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 125.087 1.355 . . . . 0.0 111.419 -171.071 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 4.8 m -140.41 149.83 21.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 124.672 1.189 . . . . 0.0 109.145 171.024 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.51 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 -169.757 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.536 0.435 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -161.11 171.67 18.13 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.875 1.27 . . . . 0.0 113.23 -168.187 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -145.28 149.0 34.07 Favored 'General case' 0 N--CA 1.48 1.029 0 O-C-N 121.946 -0.471 . . . . 0.0 111.634 171.852 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.6 m -138.65 170.3 16.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 CA-C-O 122.281 1.038 . . . . 0.0 112.555 178.057 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -149.37 117.59 6.41 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 124.856 1.262 . . . . 0.0 108.781 176.57 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -80.66 156.17 26.46 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 121.711 0.767 . . . . 0.0 112.142 177.301 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -70.48 -18.31 62.97 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.45 0.7 . . . . 0.0 112.517 177.248 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -139.3 136.68 18.16 Favored Pre-proline 0 CA--C 1.553 1.06 0 C-N-CA 127.894 2.477 . . . . 0.0 110.339 178.782 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -71.81 -20.9 25.55 Favored 'Trans proline' 0 CA--C 1.537 0.641 0 C-N-CA 123.001 2.467 . . . . 0.0 114.448 -174.087 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.43 -29.6 53.01 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 120.917 -1.114 . . . . 0.0 111.218 174.282 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -62.53 -45.18 94.17 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 119.271 0.942 . . . . 0.0 109.908 168.904 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.66 -41.52 95.16 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 118.695 -0.669 . . . . 0.0 112.728 173.214 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.78 -43.25 84.46 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 119.813 1.188 . . . . 0.0 113.29 178.075 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -58.13 -41.43 83.64 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 121.359 -0.838 . . . . 0.0 110.922 173.094 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.82 -46.23 79.35 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.667 -0.645 . . . . 0.0 111.422 173.385 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.94 -15.66 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 O-C-N 120.526 -1.359 . . . . 0.0 114.191 -177.079 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -121.4 -5.15 9.35 Favored 'General case' 0 N--CA 1.485 1.302 0 N-CA-C 118.121 2.637 . . . . 0.0 118.121 170.594 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -114.54 -20.52 10.71 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-N 120.746 1.612 . . . . 0.0 114.484 170.718 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.425 ' CD2' ' CD1' ' A' ' 94' ' ' PHE . 7.5 tp -98.67 -21.21 16.55 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.629 1.572 . . . . 0.0 112.335 179.572 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -68.17 144.27 55.04 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.441 1.497 . . . . 0.0 112.498 169.94 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 72.91 -40.26 0.82 Allowed Glycine 0 CA--C 1.537 1.442 0 C-N-CA 126.538 2.018 . . . . 0.0 117.672 170.382 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -51.58 -51.19 57.47 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 125.77 1.628 . . . . 0.0 115.23 -168.753 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 6.9 m 140.91 143.67 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.281 1 C-N-CA 132.36 4.264 . . . . 0.0 107.35 -174.306 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 43.0 tp -161.8 133.62 5.56 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 -179.417 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 49.4 t 61.39 -48.47 0.13 Allowed 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.932 2.093 . . . . 0.0 112.131 -168.163 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 173.2 20.03 0.02 OUTLIER Glycine 0 C--N 1.345 1.047 0 N-CA-C 118.69 2.236 . . . . 0.0 118.69 168.426 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 46.0 t -154.78 175.98 13.04 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 118.703 1.251 . . . . 0.0 108.499 -172.623 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -65.17 130.17 42.38 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 178.001 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 11.2 p -116.68 144.69 23.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 C-N-CA 125.069 1.347 . . . . 0.0 110.045 -169.639 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 17.4 mtp85 -109.75 136.99 48.2 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 106.548 -1.649 . . . . 0.0 106.548 168.964 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 71.2 t -143.63 118.49 4.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 170.842 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -142.86 158.97 43.1 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 119.799 1.181 . . . . 0.0 111.95 -172.381 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 41.3 mt -80.73 153.08 28.03 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 120.656 -1.278 . . . . 0.0 109.588 169.556 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 32.3 t . . . . . 0 N--CA 1.479 0.992 0 C-N-CA 126.934 2.093 . . . . 0.0 115.27 172.823 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 . . . . . 0 CA--C 1.545 0.773 0 CA-C-O 120.975 0.417 . . . . 0.0 111.66 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.412 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 91.6 m-85 -127.14 154.78 44.33 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 127.595 2.358 . . . . 0.0 108.909 -178.446 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -110.3 162.73 14.34 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.646 1.178 . . . . 0.0 111.76 -177.659 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.5 tp -145.33 139.41 27.02 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 126.805 2.042 . . . . 0.0 110.915 174.337 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mp -118.49 109.01 25.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 126.496 1.918 . . . . 0.0 109.152 173.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 55.4 mt -81.32 72.05 8.34 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.48 1.912 . . . . 0.0 111.017 170.58 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 . . . . . 0 CA--C 1.56 1.358 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 173.215 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.467 0.394 0 N-CA-C 116.112 1.893 . . . . 0.0 116.112 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -165.98 -165.01 22.62 Favored Glycine 0 C--O 1.226 -0.383 0 N-CA-C 117.211 1.644 . . . . 0.0 117.211 171.318 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -152.73 157.08 40.34 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.741 1.216 . . . . 0.0 112.371 -179.4 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.0 t -156.83 -176.03 5.75 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 126.333 1.853 . . . . 0.0 109.805 -177.213 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 56.6 p -143.72 171.37 14.29 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.793 1.637 . . . . 0.0 110.856 176.599 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.2 t -155.59 154.66 32.03 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.104 0.961 . . . . 0.0 111.028 171.348 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -82.91 116.56 22.26 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 168.843 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -138.43 177.8 7.62 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.687 1.595 . . . . 0.0 112.599 -178.569 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.5 p -83.28 -39.43 15.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 O-C-N 120.977 -1.077 . . . . 0.0 111.683 169.408 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.412 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 3.9 t70 173.01 -160.39 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 131.486 3.914 . . . . 0.0 106.815 -179.326 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.56 -20.56 1.99 Allowed 'General case' 0 CA--C 1.545 0.786 0 O-C-N 120.113 -1.617 . . . . 0.0 114.422 170.64 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.93 -5.68 18.18 Favored 'General case' 0 CA--C 1.546 0.825 0 O-C-N 120.848 -1.158 . . . . 0.0 113.523 173.031 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.1 m -137.22 -37.27 0.64 Allowed 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.988 1.715 . . . . 0.0 112.348 173.681 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.96 -38.17 85.61 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.92 1.288 . . . . 0.0 111.173 177.184 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -75.62 4.83 6.94 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 178.637 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.84 18.56 4.64 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 125.182 1.393 . . . . 0.0 111.482 172.227 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.2 t -119.07 -52.96 3.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 125.292 1.437 . . . . 0.0 110.099 178.057 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -61.98 -26.6 68.31 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 176.947 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -54.46 -29.74 50.72 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.732 1.213 . . . . 0.0 113.178 175.088 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -81.32 -55.75 4.51 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.386 0.674 . . . . 0.0 109.613 177.325 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -58.99 -42.25 89.59 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.213 1.005 . . . . 0.0 112.458 -177.173 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.05 -51.77 67.93 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.01 0.924 . . . . 0.0 111.807 176.826 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 62.8 m-80 -72.11 -16.66 62.01 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 177.322 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -77.54 -31.57 53.37 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 119.494 1.043 . . . . 0.0 112.108 171.556 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -78.13 -40.55 37.76 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 168.331 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 118.8 6.74 11.08 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 128.868 3.128 . . . . 0.0 114.742 171.111 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.9 t -79.19 144.85 10.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 124.216 1.006 . . . . 0.0 110.943 173.369 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -164.86 63.81 0.13 Allowed 'General case' 0 CA--C 1.55 0.969 0 CA-C-O 122.577 1.179 . . . . 0.0 112.377 168.89 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.432 ' H ' HG21 ' A' ' 54' ' ' VAL . . . -91.99 -137.74 7.87 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 125.613 1.578 . . . . 0.0 115.805 176.019 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -68.54 86.96 0.31 Allowed 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.259 1.424 . . . . 0.0 112.984 -174.662 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 73.9 m95 -62.79 109.16 1.34 Allowed 'General case' 0 N--CA 1.467 0.413 0 O-C-N 120.384 -1.447 . . . . 0.0 109.785 179.445 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 75.3 m -134.07 162.03 33.22 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 126.86 2.064 . . . . 0.0 109.103 -169.383 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -154.9 165.13 37.66 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.638 1.575 . . . . 0.0 110.613 -173.575 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -142.54 156.0 45.07 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 126.338 1.855 . . . . 0.0 110.345 -174.298 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.42 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -126.24 1.93 7.1 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 114.884 1.438 . . . . 0.0 114.884 -177.379 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -89.36 -30.06 18.66 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.428 1.091 . . . . 0.0 110.309 169.332 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.04 -7.75 3.89 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 -175.586 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.42 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 1.2 mmpt? 60.68 46.71 8.89 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.328 1.851 . . . . 0.0 112.679 179.037 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 63.6 m -120.46 112.87 19.51 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.184 0.994 . . . . 0.0 111.695 -171.843 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -66.4 159.15 27.57 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.917 0.887 . . . . 0.0 111.524 169.27 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 52.8 m -146.72 153.67 40.52 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.532 1.533 . . . . 0.0 108.353 169.794 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.432 HG21 ' H ' ' A' ' 41' ' ' GLY 0.263 8.1 p -148.0 64.35 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 CA-C-O 123.204 1.478 . . . . 0.0 111.709 -177.228 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.3 m . . . . . 0 N--CA 1.474 0.761 0 C-N-CA 125.54 1.536 . . . . 0.0 112.928 -177.027 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 63.3 mttp . . . . . 0 N--CA 1.471 0.592 0 CA-C-O 121.644 0.735 . . . . 0.0 111.925 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 73.0 t -133.64 149.64 31.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 125.853 1.661 . . . . 0.0 110.072 -174.637 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -112.85 140.83 47.31 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 127.106 2.162 . . . . 0.0 109.255 177.231 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 6.1 p -144.23 142.28 24.1 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 C-N-CA 123.342 0.657 . . . . 0.0 112.442 177.46 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.172 0 N-CA-C 116.519 1.368 . . . . 0.0 116.519 177.837 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.4 ptmm? . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 115.268 1.581 . . . . 0.0 115.268 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 52.0 m -49.59 -52.92 26.86 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 115.673 1.731 . . . . 0.0 115.673 -168.125 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -66.05 -55.4 16.81 Favored 'General case' 0 C--N 1.339 0.12 0 CA-C-N 119.035 0.834 . . . . 0.0 110.934 -179.564 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.9 pp -61.89 -35.03 77.15 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -177.247 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -58.63 -43.28 89.66 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.505 1.122 . . . . 0.0 112.188 172.859 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.44 -41.88 72.29 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 118.803 0.728 . . . . 0.0 111.913 172.318 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.06 -44.33 82.93 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.226 1.01 . . . . 0.0 112.442 177.955 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.456 ' CD2' HG23 ' A' ' 115' ' ' VAL . 18.6 m-85 -70.75 -60.99 1.94 Allowed 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 125.953 1.701 . . . . 0.0 111.942 175.853 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -65.64 -12.48 56.61 Favored Glycine 0 CA--C 1.542 1.767 0 C-N-CA 120.213 -0.994 . . . . 0.0 115.085 -173.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -58.42 -49.19 78.17 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.208 1.803 . . . . 0.0 112.365 168.196 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -62.9 -42.08 99.66 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 118.448 0.567 . . . . 0.0 109.693 172.82 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 178.39 157.98 20.15 Favored Glycine 0 N--CA 1.475 1.242 0 CA-C-O 118.869 -0.962 . . . . 0.0 114.731 168.772 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -58.35 142.34 97.57 Favored 'Trans proline' 0 CA--C 1.536 0.618 0 C-N-CA 122.421 2.08 . . . . 0.0 113.733 -169.1 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -127.17 150.75 49.37 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.092 1.357 . . . . 0.0 112.468 179.261 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 18.6 ttm180 -93.95 -38.47 11.17 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.666 1.586 . . . . 0.0 112.97 -169.662 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.0 m -136.55 140.58 43.03 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.933 0.893 . . . . 0.0 109.833 -175.897 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 19.0 t -145.52 129.69 11.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 124.702 1.201 . . . . 0.0 107.957 -178.925 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 83.0 t90 -142.84 150.19 39.57 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 124.331 1.052 . . . . 0.0 111.208 -169.947 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 14.0 m -140.39 151.82 21.24 Favored 'Isoleucine or valine' 0 C--O 1.238 0.47 0 C-N-CA 124.031 0.932 . . . . 0.0 109.181 169.65 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.634 0 C-N-CA 123.846 0.858 . . . . 0.0 113.173 178.966 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 69.6 t80 . . . . . 0 CA--C 1.546 0.804 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -164.57 170.71 15.44 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 126.364 1.866 . . . . 0.0 112.477 -168.555 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -144.0 163.34 33.78 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 -174.849 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.456 HG23 ' CD2' ' A' ' 94' ' ' PHE . 1.4 t -146.21 163.21 10.02 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 126.006 1.722 . . . . 0.0 111.853 -175.37 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 62.0 tt0 -142.07 99.27 3.49 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.799 2.04 . . . . 0.0 111.153 169.556 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -68.97 173.83 5.06 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.034 0.934 . . . . 0.0 112.836 170.497 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -119.08 0.63 11.31 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.251 1.02 . . . . 0.0 113.421 -179.429 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -148.34 125.48 5.58 Favored Pre-proline 0 CA--C 1.547 0.845 0 O-C-N 120.607 -1.308 . . . . 0.0 110.376 177.855 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -69.15 -24.31 32.62 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 123.131 2.554 . . . . 0.0 113.779 -173.716 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 22.8 ttp-105 -61.17 -51.42 69.12 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 119.765 1.166 . . . . 0.0 110.338 170.309 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -75.05 -35.87 61.85 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.318 -174.899 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.85 -37.55 87.79 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 122.964 0.506 . . . . 0.0 112.311 171.173 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -68.37 -45.7 72.07 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 119.297 0.953 . . . . 0.0 111.938 174.917 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.81 -42.97 80.48 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.232 0.613 . . . . 0.0 111.394 172.415 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.99 -57.91 9.88 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.112 0.565 . . . . 0.0 110.463 174.766 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 24.3 t -52.9 -35.11 21.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 125.428 1.491 . . . . 0.0 113.785 178.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.65 -1.92 36.8 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 114.676 1.361 . . . . 0.0 114.676 -174.684 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -116.46 -22.95 8.5 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.169 0.987 . . . . 0.0 113.034 169.543 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 86.3 mt -91.17 6.71 43.96 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 126.544 1.937 . . . . 0.0 111.787 169.142 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 22.0 p30 -42.59 -27.56 0.17 Allowed 'General case' 0 CA--C 1.553 1.066 0 N-CA-C 119.519 3.155 . . . . 0.0 119.519 -169.688 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 164.55 -27.1 0.2 Allowed Glycine 0 CA--C 1.533 1.183 0 C-N-CA 124.809 1.195 . . . . 0.0 115.933 -169.825 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 19.2 mtt180 -40.72 -70.11 0.11 Allowed 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 126.918 2.087 . . . . 0.0 115.127 -169.596 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 2.0 m 174.3 154.75 0.12 Allowed 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 131.334 3.854 . . . . 0.0 106.587 -177.768 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -138.2 -63.19 0.56 Allowed 'General case' 0 N--CA 1.478 0.954 0 CA-C-N 118.54 0.609 . . . . 0.0 111.025 172.194 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 2.7 t -82.67 -51.22 7.93 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 118.781 0.719 . . . . 0.0 109.852 169.254 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 170.31 33.32 0.02 OUTLIER Glycine 0 N--CA 1.476 1.337 0 CA-C-O 121.728 0.627 . . . . 0.0 113.87 177.434 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -161.9 157.76 24.36 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 128.8 2.84 . . . . 0.0 106.649 -168.235 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -69.29 130.59 43.03 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.202 0.601 . . . . 0.0 109.745 -169.356 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 7.5 p -109.21 56.77 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 126.424 1.89 . . . . 0.0 109.013 -169.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.95 113.08 2.12 Favored 'General case' 0 N--CA 1.479 0.983 0 O-C-N 120.786 -1.196 . . . . 0.0 109.504 -171.137 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 6.4 t -120.99 143.82 31.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 123.094 0.558 . . . . 0.0 111.106 -172.645 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -140.58 172.32 12.87 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.417 1.087 . . . . 0.0 110.916 171.008 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 6.2 tt -82.28 128.34 34.1 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 168.413 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.709 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -169.609 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 . . . . . 0 CA--C 1.543 0.7 0 N-CA-C 114.965 1.469 . . . . 0.0 114.965 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -127.98 154.35 45.69 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 126.739 2.016 . . . . 0.0 109.107 -176.58 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -112.06 161.5 16.41 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.402 1.081 . . . . 0.0 111.776 -174.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.412 ' CD1' ' HG ' ' A' ' 7' ' ' LEU . 2.2 tm? -144.26 133.51 23.05 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 126.328 1.851 . . . . 0.0 110.579 176.34 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mp -114.66 112.82 41.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 125.918 1.687 . . . . 0.0 110.02 172.513 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.412 ' HG ' ' CD1' ' A' ' 5' ' ' LEU . 42.7 mt -83.09 43.44 0.87 Allowed 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 127.518 2.327 . . . . 0.0 111.912 173.57 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 . . . . . 0 N--CA 1.469 0.5 0 O-C-N 119.612 -1.93 . . . . 0.0 112.305 -175.91 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.464 0.275 0 CA-C-O 120.762 0.315 . . . . 0.0 110.363 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -172.6 -170.13 36.02 Favored Glycine 0 CA--C 1.529 0.949 0 N-CA-C 115.526 0.97 . . . . 0.0 115.526 168.621 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -155.32 157.96 37.99 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.637 1.175 . . . . 0.0 112.959 -179.615 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.9 t -156.25 -175.9 5.68 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 126.117 1.767 . . . . 0.0 110.404 179.194 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.6 p -141.66 175.05 10.0 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 125.211 1.405 . . . . 0.0 110.874 173.729 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.0 t -157.85 151.35 23.61 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 124.031 0.933 . . . . 0.0 110.772 171.906 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -77.03 125.9 30.08 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 106.546 -1.65 . . . . 0.0 106.546 166.392 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -143.67 174.52 10.72 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.364 1.466 . . . . 0.0 111.556 178.489 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.1 t -77.1 -47.14 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 O-C-N 121.666 -0.646 . . . . 0.0 109.994 169.158 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.4 t70 179.0 -157.12 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 130.429 3.492 . . . . 0.0 106.281 179.269 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.23 -20.81 2.87 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 120.049 -1.657 . . . . 0.0 113.963 169.661 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.61 -7.41 10.38 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.578 1.151 . . . . 0.0 113.826 172.156 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 45.3 m -138.68 -37.0 0.55 Allowed 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.538 1.535 . . . . 0.0 112.17 176.178 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.72 -38.12 86.05 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.939 1.296 . . . . 0.0 111.215 177.445 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -74.34 2.91 8.25 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 179.603 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.57 19.07 5.21 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 125.169 1.388 . . . . 0.0 111.57 173.454 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.1 t -119.54 -52.08 3.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 125.234 1.414 . . . . 0.0 109.924 177.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -62.75 -26.31 68.63 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 178.11 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -56.27 -32.89 64.95 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.571 1.148 . . . . 0.0 112.583 175.744 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -79.53 -49.77 11.74 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.312 0.645 . . . . 0.0 110.597 179.154 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -59.1 -41.82 89.02 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.538 1.135 . . . . 0.0 112.23 178.729 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.1 -46.23 90.0 Favored 'General case' 0 N--CA 1.451 -0.397 0 O-C-N 121.177 -0.952 . . . . 0.0 111.582 179.174 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -69.48 -17.41 63.61 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 114.167 1.173 . . . . 0.0 114.167 178.089 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . 0.285 1.2 p30 -91.21 -16.38 27.74 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 120.206 1.366 . . . . 0.0 114.419 171.673 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 63.6 m-80 -87.62 -32.73 19.13 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.273 0.629 . . . . 0.0 109.824 167.671 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.02 6.88 22.22 Favored Glycine 0 CA--C 1.531 1.067 0 C-N-CA 127.792 2.615 . . . . 0.0 114.928 171.219 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.2 t -84.82 152.6 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 123.857 0.863 . . . . 0.0 111.693 173.708 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -162.51 52.35 0.2 Allowed 'General case' 0 CA--C 1.549 0.93 0 CA-C-O 123.067 1.413 . . . . 0.0 111.969 168.889 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.44 -154.69 1.3 Allowed Glycine 0 CA--C 1.545 1.959 0 C-N-CA 127.188 2.327 . . . . 0.0 117.714 177.855 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -62.49 0.59 0.45 Allowed 'General case' 0 N--CA 1.486 1.349 1 N-CA-C 121.839 4.015 . . . . 0.0 121.839 -168.265 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 82.2 m95 28.4 74.51 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 129.225 3.01 . . . . 0.0 116.27 -174.735 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.46 165.48 11.63 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 125.657 1.583 . . . . 0.0 112.003 176.291 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -151.52 164.32 37.07 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 126.236 1.814 . . . . 0.0 110.737 178.688 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -139.72 168.76 19.08 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.916 1.286 . . . . 0.0 111.742 -178.239 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.418 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.4 OUTLIER -129.33 -6.16 4.8 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.768 1.627 . . . . 0.0 114.276 176.823 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.91 -32.75 51.86 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 121.467 -0.771 . . . . 0.0 110.624 170.481 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.4 t -139.01 8.78 2.53 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 177.943 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.418 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 2.8 mmpt? 53.78 42.05 31.89 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-O 122.657 1.218 . . . . 0.0 113.269 168.623 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 46.4 m -121.17 113.91 20.67 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 125.883 1.673 . . . . 0.0 109.419 -169.815 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -66.27 156.8 33.27 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.044 0.938 . . . . 0.0 110.518 169.299 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.3 m -149.18 133.47 17.42 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 108.201 -1.036 . . . . 0.0 108.201 171.11 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.2 p -130.42 66.07 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 123.12 1.438 . . . . 0.0 109.917 -171.466 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 31.0 m . . . . . 0 N--CA 1.466 0.335 0 CA-C-N 114.359 -1.292 . . . . 0.0 113.446 -173.44 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.476 0.867 0 CA-C-O 120.809 0.338 . . . . 0.0 111.156 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 42.8 t -130.08 134.34 62.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 125.396 1.478 . . . . 0.0 110.935 -172.089 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -90.65 147.46 23.28 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 124.682 1.193 . . . . 0.0 109.056 169.149 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -150.12 152.65 11.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.879 0.847 . . . . 0.0 111.89 170.749 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.42 ' HA2' ' HA ' ' A' ' 112' ' ' PHE . . . . . . . . 0 CA--C 1.525 0.672 0 N-CA-C 108.333 -1.907 . . . . 0.0 108.333 167.464 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.9 ptmm? . . . . . 0 N--CA 1.47 0.531 0 N-CA-C 115.171 1.545 . . . . 0.0 115.171 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 14.6 m -47.6 -62.0 1.66 Allowed 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 120.403 1.456 . . . . 0.0 114.753 -169.478 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -76.26 -42.85 44.34 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 117.681 -1.152 . . . . 0.0 110.221 -176.555 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . 0.259 2.7 pp -60.02 -36.1 76.52 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 120.731 1.605 . . . . 0.0 112.618 179.56 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -61.01 -48.72 80.51 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.611 1.164 . . . . 0.0 112.429 173.898 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.9 ppt_? -65.47 -39.33 91.84 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 119.497 1.044 . . . . 0.0 112.446 172.124 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.3 -43.12 92.12 Favored 'General case' 0 C--O 1.221 -0.427 0 C-N-CA 125.127 1.371 . . . . 0.0 111.042 -174.845 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.458 ' CD2' HG22 ' A' ' 115' ' ' VAL . 10.5 m-85 -63.68 -64.66 0.84 Allowed 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 124.431 1.092 . . . . 0.0 111.497 173.229 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -61.75 -17.72 54.94 Favored Glycine 0 CA--C 1.545 1.954 0 N-CA-C 115.112 0.805 . . . . 0.0 115.112 -174.593 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -56.4 -50.93 70.18 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.848 1.659 . . . . 0.0 112.902 168.806 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -68.24 -38.74 82.16 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.403 0.681 . . . . 0.0 111.128 177.361 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -174.1 156.18 23.04 Favored Glycine 0 N--CA 1.472 1.093 0 CA-C-O 118.182 -1.344 . . . . 0.0 113.307 169.513 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -61.87 149.79 88.7 Favored 'Trans proline' 0 CA--C 1.536 0.595 0 CA-C-N 121.187 2.494 . . . . 0.0 113.215 -169.647 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -132.24 158.9 40.59 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 177.293 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 20.9 ptt-85 -120.65 -8.88 9.45 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.582 1.553 . . . . 0.0 114.607 -169.681 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.7 t -148.11 139.41 23.48 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.072 0.949 . . . . 0.0 110.935 169.329 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 12.6 t -143.73 124.64 9.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 125.759 1.624 . . . . 0.0 108.517 174.389 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 78.0 t90 -137.72 152.34 49.14 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 125.542 1.537 . . . . 0.0 111.412 179.559 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 4.5 m -145.37 150.5 15.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 124.42 1.088 . . . . 0.0 110.981 176.054 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.496 0 C-N-CA 123.019 0.528 . . . . 0.0 110.459 178.128 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.42 ' HA ' ' HA2' ' A' ' 79' ' ' GLY 0.379 0.1 OUTLIER . . . . . 0 CA--C 1.547 0.841 0 CA-C-O 122.243 1.02 . . . . 0.0 113.041 . . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -158.95 170.84 21.21 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 126.346 1.858 . . . . 0.0 113.547 -168.162 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -147.14 157.7 43.69 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 177.576 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.458 HG22 ' CD2' ' A' ' 94' ' ' PHE . 2.3 t -149.28 157.45 6.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 125.038 1.335 . . . . 0.0 112.604 -174.408 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -133.08 112.43 11.78 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.551 1.14 . . . . 0.0 108.355 165.725 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -74.02 168.03 20.34 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.959 1.303 . . . . 0.0 113.806 173.46 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -71.34 -43.66 66.56 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 121.229 -0.92 . . . . 0.0 112.244 176.78 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -132.84 153.88 81.21 Favored Pre-proline 0 CA--C 1.555 1.153 0 C-N-CA 125.567 1.547 . . . . 0.0 112.468 179.693 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -57.62 -31.83 92.85 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 123.771 2.981 . . . . 0.0 115.024 178.539 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.84 -38.53 79.86 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 120.153 1.342 . . . . 0.0 111.984 173.969 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -57.01 -49.14 76.71 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 119.268 0.94 . . . . 0.0 110.272 173.729 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.47 -43.74 98.1 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-O 118.727 -0.654 . . . . 0.0 112.678 174.6 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.51 -44.5 86.79 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 119.915 1.234 . . . . 0.0 112.691 -178.493 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -64.47 -40.41 95.64 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 118.631 0.65 . . . . 0.0 110.987 174.826 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.49 -53.62 39.88 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 122.023 -0.423 . . . . 0.0 111.695 177.49 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 38.2 t -52.69 -42.54 41.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 125.51 1.524 . . . . 0.0 111.8 176.126 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 34.7 ttp-105 -69.41 -38.58 77.99 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.428 0.691 . . . . 0.0 112.445 179.746 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -97.58 -0.3 46.06 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 -176.245 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 90.4 mt -115.19 -17.15 11.45 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.29 1.836 . . . . 0.0 112.804 173.067 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 41.8 p30 6.43 -54.74 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.973 1 C-N-CA 132.441 4.297 . . . . 0.0 120.145 169.805 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 167.47 12.45 0.02 OUTLIER Glycine 0 CA--C 1.539 1.583 0 C-N-CA 128.349 2.88 . . . . 0.0 116.393 -179.071 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -69.81 -49.1 55.97 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.847 1.659 . . . . 0.0 115.168 -169.503 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 165.09 146.8 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 130.34 3.456 . . . . 0.0 108.747 175.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 10.9 tp -165.82 147.02 6.95 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 127.001 2.12 . . . . 0.0 106.484 177.452 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 64.3 m 63.35 -40.91 0.2 Allowed 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 127.72 2.408 . . . . 0.0 112.098 -166.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 144.22 28.14 0.11 Allowed Glycine 0 CA--C 1.528 0.904 0 C-N-CA 126.772 2.13 . . . . 0.0 115.048 168.373 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 12.0 t -148.69 -152.31 0.43 Allowed 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.019 1.327 . . . . 0.0 107.6 -174.718 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -70.72 142.21 51.49 Favored 'General case' 0 N--CA 1.463 0.217 0 O-C-N 121.351 -0.843 . . . . 0.0 110.854 171.084 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 9.5 p -130.32 169.86 20.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 105.558 -2.015 . . . . 0.0 105.558 168.074 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -161.51 133.56 5.75 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 126.172 1.789 . . . . 0.0 107.725 168.968 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 64.5 t -139.18 134.59 41.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 CA-C-N 119.293 0.951 . . . . 0.0 110.206 -174.473 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -139.85 161.62 37.14 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.714 0.806 . . . . 0.0 111.179 -176.324 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.76 134.58 38.03 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 168.872 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.471 0.621 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 -169.833 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . 0.266 15.9 tt0 . . . . . 0 CA--C 1.545 0.772 0 N-CA-C 114.835 1.42 . . . . 0.0 114.835 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.419 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 89.8 m-85 -128.55 150.1 50.33 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 127.058 2.143 . . . . 0.0 108.885 -176.703 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -105.71 162.35 13.6 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.743 1.217 . . . . 0.0 111.491 -179.455 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -144.92 137.91 26.53 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 127.044 2.138 . . . . 0.0 110.315 175.96 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.3 mp -117.28 113.63 43.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 126.42 1.888 . . . . 0.0 109.7 173.434 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 84.2 mt -85.18 66.8 9.92 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 126.508 1.923 . . . . 0.0 110.271 171.65 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 55.8 t30 . . . . . 0 N--CA 1.477 0.894 0 N-CA-C 114.352 1.242 . . . . 0.0 114.352 -177.035 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.471 0.62 0 N-CA-C 117.154 2.279 . . . . 0.0 117.154 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.86 -160.63 15.8 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 117.364 1.705 . . . . 0.0 117.364 169.585 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -147.29 165.54 29.81 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.344 1.458 . . . . 0.0 111.647 -175.628 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.0 t -160.19 -177.53 6.34 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.883 1.673 . . . . 0.0 110.238 169.15 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 74.8 p -141.47 170.09 16.37 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 126.022 1.729 . . . . 0.0 109.711 172.112 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.0 t -155.92 155.79 33.45 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 121.204 -0.935 . . . . 0.0 110.876 170.734 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -84.09 119.51 25.06 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 168.252 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.36 173.86 11.11 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.698 1.599 . . . . 0.0 112.077 -176.704 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 83.9 t -77.87 -46.63 26.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 O-C-N 121.631 -0.668 . . . . 0.0 110.5 169.275 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.419 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 5.3 t70 177.25 -156.88 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 131.064 3.746 . . . . 0.0 106.07 179.429 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.67 -20.37 2.03 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 120.014 -1.679 . . . . 0.0 114.163 169.841 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.17 -7.24 11.72 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.452 1.101 . . . . 0.0 113.735 172.002 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 54.3 m -140.34 -37.69 0.46 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.979 1.712 . . . . 0.0 112.101 177.035 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.01 -38.85 86.7 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.164 1.386 . . . . 0.0 111.046 177.622 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -74.48 3.31 7.78 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.426 ' HE3' HG22 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -131.27 19.13 4.87 Favored 'General case' 0 C--O 1.226 -0.176 0 C-N-CA 125.111 1.364 . . . . 0.0 111.492 172.924 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.426 HG22 ' HE3' ' A' ' 28' ' ' LYS . 3.5 t -119.21 -51.73 3.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 124.928 1.291 . . . . 0.0 110.117 176.79 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -60.38 -27.46 67.43 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.816 0.672 . . . . 0.0 112.816 177.084 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -56.87 -30.31 63.73 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.886 1.274 . . . . 0.0 112.78 174.119 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -77.78 -52.4 8.98 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 118.605 0.639 . . . . 0.0 110.71 176.808 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -61.8 -41.8 98.21 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.362 1.065 . . . . 0.0 112.383 -178.09 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.38 -50.58 73.14 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 123.353 0.661 . . . . 0.0 111.455 178.116 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 57.4 m-80 -71.82 -15.83 62.15 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 179.881 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -81.78 -31.34 31.9 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 118.99 0.814 . . . . 0.0 112.89 172.112 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 56.8 m-80 -76.97 -35.91 56.85 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 168.08 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 118.56 -3.73 15.3 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 129.297 3.332 . . . . 0.0 114.28 172.4 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 71.4 t -72.28 148.47 9.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 CA-C-N 118.603 1.202 . . . . 0.0 111.878 176.312 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -164.64 52.24 0.12 Allowed 'General case' 0 CA--C 1.547 0.856 0 CA-C-O 123.323 1.535 . . . . 0.0 109.866 167.953 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.38 -157.42 0.22 Allowed Glycine 0 CA--C 1.539 1.555 0 C-N-CA 127.067 2.27 . . . . 0.0 116.351 172.721 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -71.6 95.61 1.45 Allowed 'General case' 0 CA--C 1.546 0.789 0 O-C-N 121.344 -1.091 . . . . 0.0 112.178 177.843 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 84.8 m95 -60.6 118.88 7.1 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 120.717 -1.24 . . . . 0.0 110.07 -179.313 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -130.72 161.05 32.54 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 126.851 2.06 . . . . 0.0 110.243 -174.397 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -153.09 164.87 37.22 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.69 1.196 . . . . 0.0 111.101 -179.688 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -140.6 164.22 30.75 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.015 1.726 . . . . 0.0 110.463 -176.826 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.403 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 21.4 t70 -132.57 -2.02 3.43 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.095 1.358 . . . . 0.0 114.59 -179.311 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.83 -28.88 32.84 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 121.453 -0.779 . . . . 0.0 110.28 169.572 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.6 p -135.11 -12.88 2.15 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 125.667 1.587 . . . . 0.0 113.175 -171.951 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.403 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 1.0 OUTLIER 62.54 46.58 5.49 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.622 1.569 . . . . 0.0 112.407 178.018 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 95.4 m -118.25 113.64 21.8 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 125.041 1.337 . . . . 0.0 111.088 -174.059 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -67.64 159.31 30.22 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.994 0.918 . . . . 0.0 111.171 169.033 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 25.7 m -146.23 159.6 43.11 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 125.321 1.449 . . . . 0.0 107.814 170.645 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.259 12.2 p -152.73 68.84 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-O 122.77 1.272 . . . . 0.0 110.943 -179.519 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 94.8 m . . . . . 0 N--CA 1.472 0.64 0 O-C-N 121.496 -0.752 . . . . 0.0 112.266 -172.146 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.465 0.304 0 CA-C-O 122.104 0.954 . . . . 0.0 112.258 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -134.94 154.57 36.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 C-N-CA 126.807 2.043 . . . . 0.0 109.089 -177.787 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -112.45 148.82 33.57 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 127.926 2.49 . . . . 0.0 109.829 -176.723 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.9 p -144.98 140.23 22.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-O 121.609 0.719 . . . . 0.0 111.321 169.152 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.231 0 N-CA-C 116.29 1.276 . . . . 0.0 116.29 175.458 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.277 20.3 pttp . . . . . 0 N--CA 1.48 1.068 0 N-CA-C 114.44 1.274 . . . . 0.0 114.44 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 54.5 m -40.2 -58.43 1.48 Allowed 'General case' 0 N--CA 1.483 1.225 0 N-CA-C 115.438 1.644 . . . . 0.0 115.438 -169.192 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.46 ' HG2' ' HG ' ' A' ' 136' ' ' CYS . 1.0 OUTLIER -64.91 -56.54 12.67 Favored 'General case' 0 C--O 1.235 0.318 0 O-C-N 122.068 -0.395 . . . . 0.0 110.628 -178.242 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.4 pp -65.42 -28.68 69.42 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -174.218 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -64.59 -47.94 76.8 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 126.346 1.858 . . . . 0.0 111.116 175.896 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.78 -31.95 71.33 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 119.398 0.999 . . . . 0.0 112.525 170.695 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.59 -45.45 94.06 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 118.827 0.74 . . . . 0.0 112.158 176.059 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -64.49 -64.81 0.78 Allowed 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 125.961 1.704 . . . . 0.0 110.984 173.617 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -54.08 -22.31 20.52 Favored Glycine 0 CA--C 1.546 2.006 0 N-CA-C 116.178 1.231 . . . . 0.0 116.178 -179.447 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -56.58 -50.72 71.1 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.583 1.553 . . . . 0.0 113.257 169.021 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.44 ' CE2' HD23 ' A' ' 130' ' ' LEU . 88.9 m-85 -63.91 -38.14 90.0 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 118.97 0.805 . . . . 0.0 109.997 175.511 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 176.05 165.45 31.89 Favored Glycine 0 N--CA 1.471 1.012 0 CA-C-O 118.863 -0.965 . . . . 0.0 113.982 168.871 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -61.04 126.06 18.61 Favored 'Trans proline' 0 N--CA 1.459 -0.516 0 CA-C-N 120.565 2.183 . . . . 0.0 114.483 -169.006 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 23.5 mt -63.17 161.12 14.1 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 126.532 1.933 . . . . 0.0 113.067 171.113 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.7 ttm180 -110.8 -35.96 5.83 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.541 1.536 . . . . 0.0 110.743 169.043 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.6 m -168.98 161.06 10.46 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 126.148 1.779 . . . . 0.0 111.216 171.191 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 60.4 t -142.06 141.89 28.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 125.35 1.46 . . . . 0.0 109.305 177.303 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 72.0 t90 -140.66 142.68 34.92 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.716 1.607 . . . . 0.0 110.372 179.112 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -142.29 146.77 22.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 169.28 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.721 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 -178.63 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.551 0.993 0 N-CA-C 106.89 -1.522 . . . . 0.0 106.89 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -163.21 171.5 16.16 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 124.049 0.94 . . . . 0.0 112.887 -169.576 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -135.95 157.46 46.79 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.698 1.199 . . . . 0.0 112.647 176.942 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 1.1 p -156.61 154.72 5.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 124.389 1.075 . . . . 0.0 111.763 -170.515 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -143.79 150.36 38.44 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 125.425 1.49 . . . . 0.0 110.082 168.11 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -121.0 160.72 22.95 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.977 1.311 . . . . 0.0 111.854 -172.807 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -81.21 -21.69 39.38 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 120.921 -1.112 . . . . 0.0 113.33 -175.83 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -125.91 125.05 24.82 Favored Pre-proline 0 CA--C 1.545 0.784 0 C-N-CA 126.285 1.834 . . . . 0.0 107.915 170.486 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -49.26 -28.88 15.83 Favored 'Trans proline' 0 CA--C 1.535 0.561 0 C-N-CA 123.705 2.936 . . . . 0.0 114.413 171.771 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.12 -26.08 62.86 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.169 0.987 . . . . 0.0 113.168 174.165 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -67.76 -45.8 73.88 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 119.796 1.18 . . . . 0.0 110.273 169.72 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.78 -34.88 78.18 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 118.462 -0.78 . . . . 0.0 112.002 172.941 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.54 -45.27 76.16 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 120.06 1.3 . . . . 0.0 112.914 174.307 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -54.21 -46.09 72.4 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.191 0.596 . . . . 0.0 110.445 170.532 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.87 -51.01 64.32 Favored 'General case' 0 CA--C 1.549 0.941 0 O-C-N 121.577 -0.702 . . . . 0.0 111.672 176.699 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 24.2 t -56.95 -18.15 6.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 O-C-N 119.748 -1.845 . . . . 0.0 114.222 178.186 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.72 -2.91 11.79 Favored 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 116.026 1.862 . . . . 0.0 116.026 173.009 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -132.56 -1.53 3.47 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.163 1.385 . . . . 0.0 114.543 -176.142 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.44 HD23 ' CE2' ' A' ' 97' ' ' TYR . 8.6 tp -126.31 -6.31 6.52 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 128.092 2.557 . . . . 0.0 111.409 -177.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -86.93 133.84 33.56 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 127.456 2.302 . . . . 0.0 112.937 179.024 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 53.44 37.66 56.22 Favored Glycine 0 CA--C 1.537 1.443 0 O-C-N 120.463 -1.398 . . . . 0.0 113.856 179.295 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 27.0 mmt-85 -111.66 -17.18 13.07 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 115.047 1.499 . . . . 0.0 115.047 -169.634 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 97.0 m 63.19 131.4 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 127.498 2.319 . . . . 0.0 110.713 -168.27 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 18.8 tp -150.23 -78.98 0.13 Allowed 'General case' 0 N--CA 1.472 0.625 0 O-C-N 121.316 -0.865 . . . . 0.0 111.627 -169.587 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . 0.46 ' HG ' ' HG2' ' A' ' 89' ' ' GLU . 12.3 m -69.08 -21.41 64.07 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 123.756 0.823 . . . . 0.0 111.33 178.781 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 158.56 -21.54 0.33 Allowed Glycine 0 CA--C 1.536 1.402 0 C-N-CA 125.396 1.474 . . . . 0.0 116.237 169.864 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 11.9 t -106.33 -90.02 0.43 Allowed 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 118.639 1.219 . . . . 0.0 113.055 -169.757 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -141.94 -29.94 0.59 Allowed 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 116.931 2.197 . . . . 0.0 116.931 -170.361 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . 0.291 3.3 m 45.72 74.21 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 129.798 3.239 . . . . 0.0 115.996 -171.395 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -65.36 134.84 54.4 Favored 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 105.748 -1.945 . . . . 0.0 105.748 166.275 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 81.2 t -141.08 129.04 22.74 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 CA-C-N 119.754 1.161 . . . . 0.0 108.631 -176.289 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -144.39 171.7 13.97 Favored 'General case' 0 N--CA 1.483 1.193 0 CA-C-N 119.011 0.823 . . . . 0.0 111.38 -172.067 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 8.9 tt -73.22 135.86 44.6 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 119.828 -1.795 . . . . 0.0 108.656 168.253 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 24.5 t . . . . . 0 N--CA 1.472 0.653 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -172.954 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 . . . . . 0 CA--C 1.546 0.813 0 CA-C-O 120.746 0.308 . . . . 0.0 111.76 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -127.06 153.56 45.81 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 127.425 2.29 . . . . 0.0 108.951 -179.792 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -103.68 161.26 14.06 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.492 1.117 . . . . 0.0 111.177 178.343 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -144.96 135.8 24.66 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 126.641 1.976 . . . . 0.0 110.118 175.052 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mp -114.49 109.77 29.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 126.309 1.843 . . . . 0.0 109.505 172.325 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 88.0 mt -78.77 79.22 5.19 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 124.473 1.109 . . . . 0.0 108.162 168.91 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 22.3 m-20 . . . . . 0 CA--C 1.56 1.353 0 C-N-CA 125.469 1.507 . . . . 0.0 111.952 168.607 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.965 0 N-CA-C 121.527 3.899 . . . . 0.0 121.527 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.83 -161.98 18.68 Favored Glycine 0 CA--C 1.531 1.078 0 N-CA-C 117.562 1.785 . . . . 0.0 117.562 169.763 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -156.46 157.02 34.77 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.632 1.573 . . . . 0.0 112.843 -179.626 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.9 t -159.98 -172.03 3.47 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 126.168 1.787 . . . . 0.0 109.521 178.047 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 64.3 p -138.55 169.42 17.81 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 126.086 1.755 . . . . 0.0 110.733 176.715 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.0 t -153.46 151.87 30.36 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.404 1.082 . . . . 0.0 110.593 177.483 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.9 tp10 -84.02 115.98 22.61 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 169.241 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.76 177.01 8.19 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.198 1.399 . . . . 0.0 113.653 179.823 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.469 ' H ' ' HB ' ' A' ' 25' ' ' THR . 97.7 t -79.33 -49.17 20.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 O-C-N 120.842 -1.161 . . . . 0.0 110.61 169.323 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 t70 178.49 -157.7 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 131.52 3.928 . . . . 0.0 105.821 179.729 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.98 -18.87 1.53 Allowed 'General case' 0 CA--C 1.546 0.824 0 CA-C-N 121.376 1.898 . . . . 0.0 114.667 170.859 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.27 -10.41 42.08 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.451 1.1 . . . . 0.0 113.488 172.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.469 ' HB ' ' H ' ' A' ' 21' ' ' VAL . 46.4 m -140.06 -32.41 0.61 Allowed 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.269 1.827 . . . . 0.0 112.542 178.682 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.4 -36.13 78.67 Favored 'General case' 0 CA--C 1.546 0.799 0 O-C-N 120.838 -1.164 . . . . 0.0 110.632 174.868 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -76.41 5.17 7.59 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 114.656 1.354 . . . . 0.0 114.656 178.449 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.19 18.33 3.42 Favored 'General case' 0 N--CA 1.466 0.351 0 O-C-N 120.307 -1.495 . . . . 0.0 111.738 173.561 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.1 p -120.47 -41.75 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 C-N-CA 124.377 1.071 . . . . 0.0 112.195 177.287 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -68.78 -26.02 65.0 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 123.99 0.916 . . . . 0.0 113.11 173.296 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -54.97 -29.95 58.04 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.261 1.424 . . . . 0.0 112.959 175.123 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -80.25 -53.18 6.89 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 123.993 0.917 . . . . 0.0 110.283 177.033 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -57.0 -43.04 81.36 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.471 1.109 . . . . 0.0 112.327 178.878 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.79 -53.3 58.37 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 124.075 0.95 . . . . 0.0 111.541 175.751 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -69.86 -16.1 63.2 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.128 0.971 . . . . 0.0 113.504 177.261 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -78.19 -31.44 49.51 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 120.191 1.36 . . . . 0.0 112.299 170.831 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -77.95 -37.32 47.78 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 168.0 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 123.23 -11.35 8.62 Favored Glycine 0 CA--C 1.539 1.551 1 C-N-CA 130.727 4.013 . . . . 0.0 113.896 172.549 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.5 t -62.11 148.07 10.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 CA-C-N 118.834 1.317 . . . . 0.0 111.986 -177.389 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -163.96 61.04 0.16 Allowed 'General case' 0 CA--C 1.551 0.999 0 CA-C-O 122.517 1.151 . . . . 0.0 113.407 169.458 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -88.29 -150.98 21.9 Favored Glycine 0 CA--C 1.543 1.802 0 C-N-CA 126.342 1.925 . . . . 0.0 116.295 -176.742 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -71.94 94.7 1.48 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.848 1.659 . . . . 0.0 111.809 175.804 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -64.22 128.98 38.13 Favored 'General case' 0 N--CA 1.465 0.308 0 O-C-N 120.617 -1.302 . . . . 0.0 110.342 -179.384 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.69 162.63 32.21 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 126.529 1.932 . . . . 0.0 110.373 -170.931 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -154.39 167.86 28.57 Favored 'General case' 0 CA--C 1.543 0.712 0 C-N-CA 124.201 1.0 . . . . 0.0 111.834 -178.841 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -144.24 161.48 38.8 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.39 1.876 . . . . 0.0 110.523 -177.767 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -129.68 -1.68 4.83 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 179.446 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.52 -28.43 33.98 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 121.521 -0.737 . . . . 0.0 110.664 170.273 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.6 p -135.23 -13.04 2.11 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.719 1.608 . . . . 0.0 113.203 -172.369 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? 63.65 47.31 3.75 Favored 'General case' 0 C--N 1.347 0.489 0 C-N-CA 125.848 1.659 . . . . 0.0 112.425 178.544 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 89.6 m -117.09 110.86 18.73 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.81 1.244 . . . . 0.0 111.615 -173.931 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -64.62 160.62 19.32 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.043 0.937 . . . . 0.0 110.959 168.623 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 32.4 m -147.19 161.54 40.7 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 125.216 1.406 . . . . 0.0 107.963 170.498 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.6 p -151.06 93.58 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 C-N-CA 124.752 1.221 . . . . 0.0 110.629 172.309 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 50.0 m . . . . . 0 N--CA 1.471 0.597 0 O-C-N 121.625 -0.672 . . . . 0.0 110.884 -178.45 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.4 ttmm . . . . . 0 CA--C 1.537 0.443 0 CA-C-O 121.556 0.693 . . . . 0.0 109.482 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.0 m -118.23 150.95 20.32 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 C-N-CA 127.848 2.459 . . . . 0.0 108.204 176.212 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -98.15 151.75 20.07 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 124.993 1.317 . . . . 0.0 110.131 178.002 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -155.51 151.11 10.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 122.065 0.936 . . . . 0.0 112.049 175.609 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.892 0 N-CA-C 110.129 -1.189 . . . . 0.0 110.129 168.487 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.467 0.411 0 N-CA-C 115.508 1.669 . . . . 0.0 115.508 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 26.7 m -52.36 -56.46 14.76 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 114.992 1.479 . . . . 0.0 114.992 -169.182 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -75.86 -43.69 44.42 Favored 'General case' 0 C--N 1.345 0.375 0 CA-C-N 119.579 1.081 . . . . 0.0 110.541 -176.966 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.2 pp -60.78 -35.53 76.68 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 120.158 1.345 . . . . 0.0 112.334 178.769 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -60.28 -50.04 75.23 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 121.139 -0.976 . . . . 0.0 112.163 173.212 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.38 -34.69 78.91 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 119.555 1.07 . . . . 0.0 112.279 173.513 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.86 -43.32 83.89 Favored 'General case' 0 C--O 1.223 -0.311 0 C-N-CA 124.159 0.984 . . . . 0.0 111.427 -177.443 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -67.75 -62.62 1.33 Allowed 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 124.562 1.145 . . . . 0.0 111.422 173.557 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.03 -17.91 45.98 Favored Glycine 0 CA--C 1.545 1.964 0 N-CA-C 115.817 1.087 . . . . 0.0 115.817 -178.543 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -54.82 -50.06 69.5 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 119.143 1.471 . . . . 0.0 112.182 168.446 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -65.59 -43.17 90.53 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.601 0.76 . . . . 0.0 110.281 175.027 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 179.01 159.13 22.71 Favored Glycine 0 N--CA 1.476 1.303 0 CA-C-O 118.483 -1.176 . . . . 0.0 114.787 169.205 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -51.31 128.04 24.18 Favored 'Trans proline' 0 C--O 1.235 0.363 0 C-N-CA 122.895 2.396 . . . . 0.0 116.06 -169.288 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 15.1 mt -68.43 152.81 44.88 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 113.676 -1.602 . . . . 0.0 111.492 169.808 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -98.04 -29.8 13.06 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.827 1.651 . . . . 0.0 111.525 169.909 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.6 m -169.97 163.33 9.43 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 126.075 1.75 . . . . 0.0 111.11 169.245 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 62.4 t -139.9 140.6 35.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 125.794 1.637 . . . . 0.0 109.442 179.204 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 86.3 t90 -145.62 140.25 27.21 Favored 'General case' 0 N--CA 1.461 0.116 0 C-N-CA 125.335 1.454 . . . . 0.0 111.31 179.831 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -144.32 150.49 16.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 168.203 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.663 0 O-C-N 121.907 -0.495 . . . . 0.0 111.528 175.415 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.553 1.071 0 N-CA-C 106.811 -1.551 . . . . 0.0 106.811 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -158.18 175.12 14.18 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 115.404 1.631 . . . . 0.0 115.404 -166.02 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -145.4 149.04 34.02 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.534 0.734 . . . . 0.0 111.403 170.794 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 28.4 m -138.68 172.25 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 O-C-N 120.802 -1.186 . . . . 0.0 112.235 172.294 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -148.14 153.0 38.25 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 124.162 0.985 . . . . 0.0 110.143 169.63 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -122.52 153.5 39.11 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.711 1.204 . . . . 0.0 112.244 -169.59 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -72.76 -17.25 61.61 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 178.631 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -146.14 126.77 7.17 Favored Pre-proline 0 CA--C 1.555 1.163 0 C-N-CA 124.477 1.111 . . . . 0.0 112.504 -173.947 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -53.41 -36.02 77.71 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 124.5 3.466 . . . . 0.0 115.41 174.864 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 23.3 ttp-105 -57.13 -48.15 79.36 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 119.235 0.925 . . . . 0.0 110.432 174.721 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -77.09 -34.84 56.84 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 119.099 -0.477 . . . . 0.0 111.275 -173.902 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.18 -45.35 93.41 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.57 0.748 . . . . 0.0 111.648 169.833 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.44 -46.09 74.13 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.708 0.803 . . . . 0.0 111.807 179.834 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -68.44 -33.2 73.78 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.654 0.661 . . . . 0.0 112.261 178.511 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.87 -57.14 13.93 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.303 0.641 . . . . 0.0 110.029 169.914 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 41.1 t -50.72 -42.83 23.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 124.396 1.078 . . . . 0.0 112.444 174.329 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 53.3 ttp85 -61.75 -31.98 72.19 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 126.115 1.766 . . . . 0.0 113.314 179.264 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -109.78 -10.56 14.78 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 124.694 1.198 . . . . 0.0 114.133 -176.215 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 53.0 mt -100.57 -34.08 10.05 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.447 1.499 . . . . 0.0 114.16 -176.863 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -67.79 142.73 56.11 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 -172.486 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 69.9 -24.73 0.41 Allowed Glycine 0 CA--C 1.538 1.497 0 N-CA-C 119.848 2.699 . . . . 0.0 119.848 169.099 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -71.88 -81.08 0.06 Allowed 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.53 1.532 . . . . 0.0 114.439 -169.323 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.8 m -179.72 141.99 0.16 Allowed 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 130.11 3.364 . . . . 0.0 107.591 -174.808 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -159.3 136.21 9.51 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 177.239 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 17.5 t 68.44 -44.59 0.51 Allowed 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 127.184 2.194 . . . . 0.0 110.731 -167.086 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 162.53 12.13 0.03 OUTLIER Glycine 0 CA--C 1.532 1.095 0 N-CA-C 117.498 1.759 . . . . 0.0 117.498 168.658 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 6.4 t -157.33 -168.37 2.58 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.377 1.588 . . . . 0.0 108.738 -176.687 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 3.9 ptt180 -30.79 118.35 0.18 Allowed 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 128.548 2.739 . . . . 0.0 113.957 175.615 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 9.1 p -129.29 148.36 33.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 C-N-CA 125.824 1.65 . . . . 0.0 110.138 171.951 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -149.26 140.31 22.97 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 126.373 1.869 . . . . 0.0 108.985 172.515 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 58.9 t -146.32 125.65 5.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -170.026 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -135.32 -179.16 5.46 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 119.307 0.958 . . . . 0.0 110.927 -173.695 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -97.84 137.04 37.3 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 120.874 -1.141 . . . . 0.0 108.288 169.825 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 84.7 p . . . . . 0 N--CA 1.471 0.604 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 -169.462 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 . . . . . 0 CA--C 1.548 0.882 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -127.21 154.98 44.15 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 127.503 2.321 . . . . 0.0 109.27 -179.015 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -105.85 162.75 13.28 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 124.857 1.263 . . . . 0.0 111.679 -179.753 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -149.21 131.59 15.64 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 126.511 1.925 . . . . 0.0 110.966 176.159 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mp -110.18 120.47 61.23 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.247 0 C-N-CA 126.257 1.823 . . . . 0.0 111.217 175.375 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.423 ' CD2' ' HA ' ' A' ' 34' ' ' ALA . 3.0 mp -97.67 60.92 1.58 Allowed 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 126.947 2.099 . . . . 0.0 111.588 -178.648 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 . . . . . 0 CA--C 1.551 1.018 0 O-C-N 121.084 -1.01 . . . . 0.0 113.153 174.873 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.464 0.246 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -168.76 -167.96 30.14 Favored Glycine 0 CA--C 1.532 1.134 0 N-CA-C 116.274 1.269 . . . . 0.0 116.274 169.626 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -159.54 153.76 23.66 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.966 1.706 . . . . 0.0 112.157 174.36 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.3 t -153.6 -172.18 4.14 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.138 1.375 . . . . 0.0 109.603 175.486 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.1 p -141.55 172.79 12.2 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.588 1.555 . . . . 0.0 110.501 176.154 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.5 t -158.03 148.67 20.68 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 121.222 -0.924 . . . . 0.0 111.106 178.658 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.2 tp10 -77.02 120.57 22.31 Favored 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 107.3 -1.37 . . . . 0.0 107.3 167.548 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.39 175.97 9.11 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.26 1.424 . . . . 0.0 113.087 175.671 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.482 ' H ' ' HB ' ' A' ' 25' ' ' THR . 93.7 t -78.94 -47.8 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 O-C-N 120.939 -1.101 . . . . 0.0 110.227 169.035 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 t70 178.53 -156.94 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 131.251 3.821 . . . . 0.0 105.86 178.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.77 -19.69 1.78 Allowed 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 121.158 1.799 . . . . 0.0 114.581 170.693 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.83 -9.84 32.48 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.42 1.088 . . . . 0.0 113.745 172.753 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.482 ' HB ' ' H ' ' A' ' 21' ' ' VAL . 44.6 m -140.27 -32.41 0.6 Allowed 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.917 1.687 . . . . 0.0 112.582 178.127 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.51 -37.29 82.57 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 120.852 -1.155 . . . . 0.0 110.402 174.707 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -76.23 5.03 7.53 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 178.254 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.13 18.65 3.43 Favored 'General case' 0 N--CA 1.468 0.425 0 O-C-N 120.291 -1.506 . . . . 0.0 111.874 173.336 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.1 p -121.27 -41.69 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 C-N-CA 124.423 1.089 . . . . 0.0 112.27 176.662 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -68.24 -27.05 66.02 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 124.662 1.185 . . . . 0.0 112.991 173.281 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -54.7 -32.7 59.88 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.925 1.29 . . . . 0.0 112.985 175.764 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -81.03 -48.8 11.72 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.686 0.795 . . . . 0.0 110.829 179.651 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -63.4 -40.46 97.28 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.431 1.092 . . . . 0.0 111.982 179.408 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.423 ' HA ' ' CD2' ' A' ' 7' ' ' LEU . . . -63.3 -45.17 92.62 Favored 'General case' 0 N--CA 1.452 -0.353 0 O-C-N 121.237 -0.914 . . . . 0.0 112.32 178.16 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -67.07 -18.98 65.58 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.777 1.029 . . . . 0.0 113.777 173.312 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -80.42 -31.01 37.7 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.615 1.098 . . . . 0.0 112.943 173.202 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -75.44 -36.31 60.75 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 167.938 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 110.97 0.71 28.6 Favored Glycine 0 N--CA 1.436 -1.34 0 C-N-CA 128.72 3.057 . . . . 0.0 113.916 177.08 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.7 t -77.29 144.03 12.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-N 118.627 1.214 . . . . 0.0 110.605 177.307 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -160.1 50.8 0.31 Allowed 'General case' 0 CA--C 1.553 1.067 0 CA-C-O 122.545 1.164 . . . . 0.0 113.169 170.3 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.22 -145.52 4.64 Favored Glycine 0 CA--C 1.541 1.666 0 C-N-CA 126.493 1.997 . . . . 0.0 116.482 177.767 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -64.66 94.08 0.12 Allowed 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.926 1.69 . . . . 0.0 112.345 -177.507 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 79.4 m95 -64.81 108.25 1.69 Allowed 'General case' 0 N--CA 1.466 0.326 0 O-C-N 120.166 -1.584 . . . . 0.0 109.907 178.052 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -123.53 163.42 20.98 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 126.675 1.99 . . . . 0.0 110.716 -172.41 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -154.21 166.55 32.76 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.207 1.003 . . . . 0.0 112.069 -178.939 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -144.0 162.51 36.02 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.445 1.898 . . . . 0.0 110.592 -177.44 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -130.18 -2.36 4.51 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 179.319 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.54 -28.71 37.23 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 121.621 -0.674 . . . . 0.0 110.512 170.063 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.7 p -135.4 -12.76 2.08 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 125.678 1.591 . . . . 0.0 113.212 -172.173 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? 63.82 46.72 3.84 Favored 'General case' 0 C--N 1.347 0.469 0 C-N-CA 125.821 1.648 . . . . 0.0 112.518 178.03 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 92.7 m -117.55 111.7 19.58 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.863 1.265 . . . . 0.0 111.863 -172.77 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -65.52 162.04 18.9 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.198 0.999 . . . . 0.0 110.669 168.463 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 22.1 m -147.75 159.68 43.54 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.298 1.439 . . . . 0.0 108.118 169.84 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.273 9.5 p -149.13 56.55 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 125.325 1.45 . . . . 0.0 111.815 -178.23 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.4 m . . . . . 0 N--CA 1.475 0.807 0 C-N-CA 124.835 1.254 . . . . 0.0 112.62 -177.653 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 44.5 tptt . . . . . 0 N--CA 1.471 0.578 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -134.72 139.36 47.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 CA-C-O 123.017 1.389 . . . . 0.0 110.96 -172.682 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -83.87 152.18 24.7 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 127.732 2.413 . . . . 0.0 110.283 176.674 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -152.9 149.24 13.58 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.181 0 N-CA-C 115.0 1.481 . . . . 0.0 115.0 176.624 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.337 0 C-N-CA 125.871 1.7 . . . . 0.0 110.537 168.049 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.342 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.367 0 N-CA-C 119.399 3.111 . . . . 0.0 119.399 . . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 4.4 m -58.78 -52.28 66.39 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.205 1.402 . . . . 0.0 111.521 172.723 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.06 -55.57 33.29 Favored 'General case' 0 C--N 1.34 0.185 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 178.378 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.7 mt -48.45 -59.81 3.18 Favored 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 124.706 1.202 . . . . 0.0 110.492 -178.466 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -59.61 -42.52 92.8 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 123.678 0.791 . . . . 0.0 112.099 -171.114 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.69 -35.41 65.17 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 118.56 -0.733 . . . . 0.0 112.712 174.058 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -67.54 -44.73 77.63 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 119.483 1.038 . . . . 0.0 111.629 -176.886 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.43 ' CD1' ' CD2' ' A' ' 130' ' ' LEU . 17.5 m-85 -69.12 -61.68 1.69 Allowed 'General case' 0 CA--C 1.509 -0.622 0 C-N-CA 125.886 1.674 . . . . 0.0 111.895 173.821 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -64.52 -13.1 54.42 Favored Glycine 0 CA--C 1.547 2.072 0 CA-C-O 118.964 -0.909 . . . . 0.0 114.445 -176.161 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -56.82 -49.88 74.06 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 119.175 1.487 . . . . 0.0 110.977 167.046 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -63.74 -46.91 83.2 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.706 0.802 . . . . 0.0 109.627 172.546 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 176.21 154.57 11.8 Favored Glycine 0 CA--C 1.534 1.261 0 N-CA-C 115.427 0.931 . . . . 0.0 115.427 169.201 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -48.43 124.53 10.83 Favored 'Trans proline' 0 CA--C 1.535 0.537 0 C-N-CA 124.371 3.381 . . . . 0.0 115.903 -169.646 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 33.6 mt -67.1 152.75 45.2 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.706 1.603 . . . . 0.0 112.474 169.932 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -79.41 -39.18 33.06 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 166.632 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.2 p -173.8 168.54 4.29 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 126.136 1.774 . . . . 0.0 113.078 168.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 2.7 p -128.04 145.18 35.63 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 126.019 1.728 . . . . 0.0 110.17 171.22 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 87.9 t90 -133.97 143.26 48.06 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 126.66 1.984 . . . . 0.0 110.232 -179.497 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 12.5 m -143.47 152.72 16.43 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 124.23 1.012 . . . . 0.0 109.491 174.96 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.882 0 CA-C-O 122.521 1.153 . . . . 0.0 114.049 -174.323 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.554 1.113 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -171.14 175.94 4.13 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 126.186 1.794 . . . . 0.0 111.902 -169.121 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -144.5 150.02 36.89 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.175 -0.953 . . . . 0.0 113.033 173.414 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 29.7 m -144.71 168.42 9.74 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 N-CA-C 115.156 1.539 . . . . 0.0 115.156 -178.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -146.96 130.61 16.9 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.233 1.413 . . . . 0.0 110.975 177.184 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -104.31 -20.85 13.63 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.05 1.34 . . . . 0.0 113.365 175.331 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 57.28 -13.51 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 128.103 2.561 . . . . 0.0 117.042 -169.757 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -100.42 132.28 22.7 Favored Pre-proline 0 CA--C 1.547 0.856 0 C-N-CA 125.732 1.613 . . . . 0.0 110.125 169.795 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -77.58 -24.64 8.76 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 122.342 2.028 . . . . 0.0 114.329 -173.145 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.61 -37.6 30.87 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 121.019 1.736 . . . . 0.0 111.156 175.883 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -55.36 -53.02 61.44 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 123.137 0.575 . . . . 0.0 109.554 172.018 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.92 -41.0 95.92 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 118.395 -0.812 . . . . 0.0 112.785 176.263 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -58.83 -45.63 89.55 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 120.614 1.552 . . . . 0.0 112.947 177.762 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -64.9 -39.45 93.55 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-O 121.885 0.85 . . . . 0.0 110.816 175.2 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -80.36 8.22 8.0 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.465 1.906 . . . . 0.0 114.52 177.232 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 13.0 t -123.09 -24.02 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 125.96 1.704 . . . . 0.0 111.248 173.187 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.79 -1.13 12.12 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 116.158 1.91 . . . . 0.0 116.158 -176.145 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -126.76 -34.67 2.38 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.966 0.907 . . . . 0.0 110.819 168.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.43 ' CD2' ' CD1' ' A' ' 94' ' ' PHE . 13.6 tp -70.53 14.88 0.11 Allowed 'General case' 0 CA--C 1.557 1.214 0 C-N-CA 126.116 1.766 . . . . 0.0 114.372 170.466 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -130.88 139.62 50.13 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 120.026 -1.671 . . . . 0.0 112.59 -169.8 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 68.93 -19.64 0.42 Allowed Glycine 0 CA--C 1.541 1.662 0 C-N-CA 127.351 2.405 . . . . 0.0 118.166 175.077 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . 0.279 2.0 ppt_? -89.3 -34.09 16.7 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 118.994 2.961 . . . . 0.0 118.994 -168.287 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 2.5 m 145.54 152.28 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 131.33 3.852 . . . . 0.0 109.437 -177.505 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . 0.258 13.4 tp -130.63 -96.02 0.36 Allowed 'General case' 0 N--CA 1.486 1.342 0 CA-C-N 119.958 1.254 . . . . 0.0 112.949 169.011 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 36.4 t -56.96 -39.17 74.08 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-N 121.339 1.881 . . . . 0.0 111.744 172.297 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 162.55 31.4 0.02 OUTLIER Glycine 0 CA--C 1.535 1.284 0 N-CA-C 115.387 0.915 . . . . 0.0 115.387 172.138 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 19.9 t -160.9 -161.72 0.86 Allowed 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 105.372 -2.084 . . . . 0.0 105.372 -176.224 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 15.0 ptt180 -41.43 141.79 0.67 Allowed 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.206 1.402 . . . . 0.0 114.688 179.811 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 5.1 p -141.22 132.09 27.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 C-N-CA 125.521 1.528 . . . . 0.0 107.006 166.607 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.61 104.07 3.58 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 -172.281 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 99.1 t -137.04 129.38 43.79 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 123.707 0.803 . . . . 0.0 109.805 -168.001 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -147.65 150.53 34.55 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 119.505 1.048 . . . . 0.0 111.68 -171.317 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.06 152.97 43.51 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 120.264 1.393 . . . . 0.0 111.466 172.76 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 67.9 m . . . . . 0 N--CA 1.473 0.702 0 N-CA-C 114.795 1.406 . . . . 0.0 114.795 -169.496 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.544 0.738 0 CA-C-O 120.879 0.371 . . . . 0.0 111.933 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.413 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 86.4 m-85 -126.0 155.04 42.06 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 127.698 2.399 . . . . 0.0 109.04 175.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -107.14 161.76 14.47 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.925 1.29 . . . . 0.0 111.461 -179.666 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 17.5 tp -142.47 140.55 31.93 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 126.746 2.018 . . . . 0.0 110.56 173.045 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.6 mp -120.9 113.92 41.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 125.241 1.416 . . . . 0.0 110.47 174.851 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.6 mp -86.85 67.75 9.91 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 127.721 2.408 . . . . 0.0 109.215 178.55 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 . . . . . 0 CA--C 1.561 1.4 0 C-N-CA 126.563 1.945 . . . . 0.0 114.313 -179.45 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.471 0.611 0 N-CA-C 117.243 2.312 . . . . 0.0 117.243 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -168.87 -157.42 11.52 Favored Glycine 0 CA--C 1.527 0.83 0 N-CA-C 116.661 1.424 . . . . 0.0 116.661 169.679 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -143.49 162.67 35.2 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.082 1.353 . . . . 0.0 111.716 -174.202 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.8 t -158.13 -177.55 6.64 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.469 1.508 . . . . 0.0 110.551 169.758 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 72.4 p -142.39 168.22 20.26 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 125.658 1.583 . . . . 0.0 110.503 173.382 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.414 HG23 ' CG1' ' A' ' 29' ' ' VAL . 5.2 t -153.36 149.37 27.76 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.336 1.054 . . . . 0.0 110.99 175.81 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.6 tp10 -78.51 118.98 21.16 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 167.614 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -138.95 176.05 9.03 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.002 1.321 . . . . 0.0 113.45 177.723 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.425 ' H ' ' HB ' ' A' ' 25' ' ' THR . 62.1 t -79.33 -48.0 21.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 O-C-N 121.2 -0.938 . . . . 0.0 110.25 169.19 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.413 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 5.2 t70 178.47 -157.3 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 131.17 3.788 . . . . 0.0 105.973 178.888 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.79 -20.26 1.22 Allowed 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 121.189 1.813 . . . . 0.0 114.306 169.821 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.75 -8.34 20.65 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.502 1.121 . . . . 0.0 113.685 172.654 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.425 ' HB ' ' H ' ' A' ' 21' ' ' VAL . 36.9 m -140.56 -35.41 0.49 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.112 1.765 . . . . 0.0 112.441 177.341 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.6 -36.87 79.26 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.416 1.486 . . . . 0.0 111.052 176.407 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -76.74 6.97 5.15 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 114.527 1.306 . . . . 0.0 114.527 179.376 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.19 13.96 3.87 Favored 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 124.972 1.309 . . . . 0.0 111.997 174.957 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.414 ' CG1' HG23 ' A' ' 18' ' ' THR . 3.2 p -120.09 -42.31 2.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 124.292 1.037 . . . . 0.0 112.545 179.745 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -64.57 -27.54 69.02 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.15 0.58 . . . . 0.0 112.053 169.7 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -62.13 -3.46 1.29 Allowed 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.435 1.494 . . . . 0.0 115.029 176.034 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -107.0 -52.68 2.73 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.114 0.966 . . . . 0.0 109.093 169.645 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -61.66 -44.87 96.14 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 123.254 0.622 . . . . 0.0 112.303 -176.09 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.31 -52.9 63.5 Favored 'General case' 0 N--CA 1.456 -0.171 0 O-C-N 121.464 -0.772 . . . . 0.0 110.979 175.522 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -67.37 -18.79 65.28 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.081 1.752 . . . . 0.0 112.717 -177.12 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -84.43 -32.3 24.15 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.943 1.297 . . . . 0.0 112.055 173.967 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 66.4 m-80 -72.9 -33.82 66.25 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 168.037 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 122.35 -5.95 10.06 Favored Glycine 0 N--CA 1.439 -1.136 0 C-N-CA 128.612 3.006 . . . . 0.0 113.894 171.943 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 37.6 t -69.1 148.48 11.59 Favored 'Isoleucine or valine' 0 C--N 1.342 0.251 0 CA-C-N 118.7 1.25 . . . . 0.0 112.005 175.364 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -163.43 34.35 0.09 Allowed 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 114.577 -1.192 . . . . 0.0 111.632 173.59 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -57.5 -159.17 0.02 OUTLIER Glycine 0 CA--C 1.541 1.704 0 C-N-CA 127.461 2.458 . . . . 0.0 117.976 179.732 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -65.33 88.62 0.08 Allowed 'General case' 0 CA--C 1.547 0.853 0 O-C-N 121.23 -1.159 . . . . 0.0 111.648 172.664 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 84.2 m95 -59.25 117.42 4.75 Favored 'General case' 0 C--O 1.235 0.294 0 O-C-N 120.492 -1.38 . . . . 0.0 110.024 179.926 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.01 163.07 28.4 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 126.689 1.996 . . . . 0.0 110.608 -171.848 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -153.04 164.7 37.51 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.39 1.076 . . . . 0.0 111.408 179.624 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -141.31 152.6 44.58 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.639 1.975 . . . . 0.0 110.0 -174.302 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.437 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -124.64 4.53 8.22 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 114.785 1.402 . . . . 0.0 114.785 -177.338 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -92.09 -29.87 16.31 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.862 1.265 . . . . 0.0 110.573 169.547 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -130.37 -7.83 4.22 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 -176.206 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.437 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 1.6 mmpt? 61.03 45.77 8.95 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.063 1.745 . . . . 0.0 112.681 179.232 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 63.5 m -120.47 111.84 18.22 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.912 0.885 . . . . 0.0 111.368 -172.507 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -63.9 158.13 22.99 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 122.068 0.937 . . . . 0.0 111.104 169.003 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 27.0 m -145.13 160.61 41.15 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 125.334 1.454 . . . . 0.0 107.496 170.406 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.252 7.2 p -156.23 70.14 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 CA-C-O 122.728 1.251 . . . . 0.0 109.662 -177.071 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 62.9 m . . . . . 0 N--CA 1.475 0.82 0 C-N-CA 124.569 1.147 . . . . 0.0 111.274 -175.35 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.0 mtmp? . . . . . 0 N--CA 1.471 0.617 0 CA-C-O 122.825 1.297 . . . . 0.0 111.739 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 74.1 t -119.2 126.81 75.69 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 C-N-CA 128.177 2.591 . . . . 0.0 108.426 -169.531 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -79.03 152.18 31.06 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 123.444 0.698 . . . . 0.0 110.134 176.68 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -154.17 154.21 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 122.192 0.996 . . . . 0.0 112.862 170.125 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 C-N-CA 126.474 1.987 . . . . 0.0 109.989 168.859 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.468 0.471 0 N-CA-C 115.451 1.648 . . . . 0.0 115.451 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 7.9 m -58.08 -52.39 65.73 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 119.869 1.213 . . . . 0.0 112.36 -171.782 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.93 -58.98 6.14 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 -177.641 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.9 pp -65.76 -32.65 74.31 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 118.91 -0.567 . . . . 0.0 111.432 -173.109 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -57.33 -49.35 76.41 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 119.528 1.058 . . . . 0.0 111.948 173.821 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.09 -33.61 73.8 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 119.105 0.866 . . . . 0.0 112.272 173.839 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.32 -38.31 89.77 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.54 0.736 . . . . 0.0 112.203 -179.289 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.419 ' HB3' ' CZ ' ' A' ' 117' ' ' PHE . 14.9 m-85 -76.56 -62.35 1.66 Allowed 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 125.36 1.464 . . . . 0.0 111.412 175.949 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -52.2 -22.62 10.43 Favored Glycine 0 CA--C 1.547 2.081 0 N-CA-C 115.692 1.037 . . . . 0.0 115.692 177.287 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -51.83 -51.61 55.29 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.314 1.445 . . . . 0.0 112.956 168.29 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -69.89 -43.85 70.94 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.951 0.901 . . . . 0.0 111.18 179.482 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -170.95 162.74 35.71 Favored Glycine 0 N--CA 1.478 1.494 0 CA-C-O 118.343 -1.254 . . . . 0.0 113.259 175.248 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -67.35 132.71 28.22 Favored 'Trans proline' 0 CA--C 1.534 0.498 0 CA-C-N 121.552 2.676 . . . . 0.0 113.794 -169.534 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 16.5 mt -69.49 166.38 18.95 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.057 1.743 . . . . 0.0 113.051 175.089 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -130.15 -23.74 2.68 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 127.093 2.157 . . . . 0.0 112.495 175.596 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 11.2 t -157.21 151.65 25.21 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.05 1.34 . . . . 0.0 111.015 169.474 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 80.1 t -143.91 132.13 18.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 125.341 1.456 . . . . 0.0 109.302 173.395 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 53.7 t90 -144.56 153.17 41.54 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 126.598 1.959 . . . . 0.0 111.303 178.741 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.412 ' HA ' ' HA ' ' A' ' 113' ' ' ALA . 2.9 m -139.16 149.57 23.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 O-C-N 121.045 -1.034 . . . . 0.0 112.108 169.934 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.63 0 C-N-CA 123.656 0.782 . . . . 0.0 112.956 -173.38 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 2.6 p90 . . . . . 0 CA--C 1.542 0.659 0 CA-C-O 123.055 1.407 . . . . 0.0 113.945 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.412 ' HA ' ' HA ' ' A' ' 105' ' ' VAL . . . -153.63 173.41 15.82 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 127.906 2.483 . . . . 0.0 112.625 -172.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -145.0 147.71 32.94 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.705 0.802 . . . . 0.0 112.579 170.598 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.4 m -137.18 179.63 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 C-N-CA 124.626 1.171 . . . . 0.0 112.269 176.468 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -152.69 150.49 29.51 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.415 1.486 . . . . 0.0 109.078 169.854 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.419 ' CZ ' ' HB3' ' A' ' 94' ' ' PHE . 47.1 m-85 -117.46 166.64 12.1 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.42 1.088 . . . . 0.0 112.93 -176.372 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -53.31 -35.08 59.77 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.831 1.252 . . . . 0.0 112.469 172.078 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -151.98 135.4 9.43 Favored Pre-proline 0 CA--C 1.549 0.936 0 C-N-CA 124.977 1.311 . . . . 0.0 110.421 -171.637 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -47.71 -29.08 10.38 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 125.042 3.828 . . . . 0.0 115.336 170.21 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 11.2 ptt-85 -54.57 -38.98 67.32 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 119.702 1.137 . . . . 0.0 111.736 171.52 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -83.75 -41.72 17.32 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -172.562 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.97 -45.63 82.75 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.436 0.694 . . . . 0.0 112.184 169.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.31 -44.48 87.76 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.984 0.914 . . . . 0.0 112.795 178.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -74.15 -31.58 62.78 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.43 -0.794 . . . . 0.0 112.5 179.364 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.43 -55.94 25.72 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 169.246 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 35.3 t -48.26 -46.5 13.73 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 124.645 1.178 . . . . 0.0 112.053 171.552 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -51.21 -43.45 61.4 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.471 1.509 . . . . 0.0 112.597 179.429 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -113.65 2.9 15.42 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 115.641 1.719 . . . . 0.0 115.641 -176.946 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 42.7 mt -99.25 -38.3 8.93 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.448 1.499 . . . . 0.0 114.173 173.828 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -64.89 149.63 49.23 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 115.407 1.632 . . . . 0.0 115.407 -168.911 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 69.86 -56.49 0.76 Allowed Glycine 0 CA--C 1.535 1.339 0 C-N-CA 128.193 2.806 . . . . 0.0 118.278 169.218 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 46.6 mtm180 -62.13 -69.4 0.25 Allowed 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.167 1.787 . . . . 0.0 115.656 -167.794 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.2 m -175.6 147.65 0.84 Allowed 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 126.669 1.988 . . . . 0.0 109.008 -170.938 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 2.4 tt -140.67 -62.9 0.48 Allowed 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.216 1.006 . . . . 0.0 109.668 169.46 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 4.0 t -70.0 -44.08 70.09 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 119.199 0.909 . . . . 0.0 111.562 169.835 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 154.8 14.05 0.06 OUTLIER Glycine 0 CA--C 1.538 1.478 0 N-CA-C 116.434 1.334 . . . . 0.0 116.434 -176.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 8.9 t -150.45 174.12 13.28 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.744 1.618 . . . . 0.0 107.817 173.836 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.22 130.49 47.22 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.261 1.424 . . . . 0.0 111.514 -169.846 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 22.6 m -117.3 179.06 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 126.814 2.046 . . . . 0.0 112.543 -173.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -140.11 133.33 29.71 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 127.763 2.425 . . . . 0.0 108.226 173.419 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 58.4 t -147.47 122.47 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 169.212 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . 0.409 ' HG2' ' H ' ' A' ' 144' ' ' LEU . 9.4 tt0 -148.66 -162.15 1.49 Allowed 'General case' 0 N--CA 1.476 0.831 0 O-C-N 121.221 -0.924 . . . . 0.0 111.595 -169.977 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.409 ' H ' ' HG2' ' A' ' 143' ' ' GLU . 10.3 tp -118.37 146.3 44.5 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.156 1.383 . . . . 0.0 109.686 174.356 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 19.1 m . . . . . 0 N--CA 1.477 0.897 0 C-N-CA 125.338 1.455 . . . . 0.0 114.853 -177.867 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.9 mtm . . . . . 0 N--CA 1.483 1.19 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -83.55 145.22 29.0 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 120.835 -1.166 . . . . 0.0 111.929 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.403 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 96.9 m-85 -130.5 158.27 40.38 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 127.4 2.28 . . . . 0.0 109.089 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -112.26 162.65 15.27 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.158 1.383 . . . . 0.0 111.672 -176.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -146.8 136.77 23.36 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 126.278 1.831 . . . . 0.0 110.86 174.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mp -116.05 131.76 67.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 126.5 1.92 . . . . 0.0 110.746 173.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.8 mp -107.34 55.71 0.65 Allowed 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 128.183 2.593 . . . . 0.0 110.918 -176.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -56.6 86.18 0.01 OUTLIER 'General case' 0 CA--C 1.555 1.167 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 -178.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -117.36 172.77 14.44 Favored Glycine 0 N--CA 1.473 1.117 0 O-C-N 120.727 -1.233 . . . . 0.0 115.426 171.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 58.0 tptt -62.13 -44.37 96.77 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 121.738 -0.86 . . . . 0.0 112.794 -172.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 36.0 p -123.06 -33.91 3.25 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 -170.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.44 ' H ' ' CD2' ' A' ' 12' ' ' LEU . 2.6 pt? -99.97 -3.38 32.35 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 116.408 2.003 . . . . 0.0 116.408 -168.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.3 147.59 0.25 Allowed 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 117.283 2.327 . . . . 0.0 117.283 -168.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -170.11 -155.49 10.25 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 117.484 1.754 . . . . 0.0 117.484 169.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -156.44 158.78 37.88 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 126.481 1.912 . . . . 0.0 112.133 177.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.0 t -156.73 -175.49 5.46 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.908 1.683 . . . . 0.0 110.092 177.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 61.9 p -142.76 170.72 15.17 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 125.804 1.642 . . . . 0.0 110.739 176.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.8 t -157.23 152.73 26.52 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.814 0.846 . . . . 0.0 111.584 172.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.7 tp10 -76.29 122.21 24.08 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 107.0 -1.481 . . . . 0.0 107.0 166.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.22 178.13 7.41 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.461 1.504 . . . . 0.0 112.02 174.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.9 p -84.44 -39.91 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 O-C-N 120.989 -1.07 . . . . 0.0 110.807 169.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.403 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 3.2 p30 178.19 -163.69 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 129.86 3.264 . . . . 0.0 108.054 -179.518 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.32 -27.19 0.97 Allowed 'General case' 0 CA--C 1.553 1.091 0 N-CA-C 114.093 1.145 . . . . 0.0 114.093 170.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.77 -5.41 20.52 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.688 1.595 . . . . 0.0 113.88 178.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.9 m -134.09 -35.38 0.95 Allowed 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 125.079 1.352 . . . . 0.0 112.277 173.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.26 -37.99 89.44 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.775 0.83 . . . . 0.0 110.861 175.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -74.63 4.9 5.43 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 178.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.44 18.53 3.97 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 120.298 -1.501 . . . . 0.0 111.788 174.462 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.7 t -119.59 -52.14 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 125.344 1.457 . . . . 0.0 110.01 177.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -61.4 -27.12 68.31 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 123.767 0.827 . . . . 0.0 113.171 176.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -55.76 -30.43 61.24 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.642 1.177 . . . . 0.0 112.975 175.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -81.16 -53.81 6.06 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.291 0.637 . . . . 0.0 109.932 177.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -59.92 -41.7 92.32 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.336 1.054 . . . . 0.0 112.372 -177.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.78 -49.45 77.67 Favored 'General case' 0 N--CA 1.452 -0.354 0 O-C-N 121.384 -0.823 . . . . 0.0 111.724 176.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -65.29 -22.24 66.82 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 174.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -77.44 -29.43 52.88 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.67 1.123 . . . . 0.0 112.626 174.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 -78.17 -41.57 34.28 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 168.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 125.67 -1.84 8.05 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 129.016 3.198 . . . . 0.0 114.556 171.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 41.3 t -73.61 146.0 10.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 CA-C-N 118.925 1.363 . . . . 0.0 110.865 176.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -161.61 53.71 0.25 Allowed 'General case' 0 CA--C 1.55 0.96 0 CA-C-O 121.78 0.8 . . . . 0.0 112.663 169.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -92.08 -137.72 7.9 Favored Glycine 0 CA--C 1.541 1.672 0 C-N-CA 125.627 1.584 . . . . 0.0 115.451 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -69.86 93.68 0.77 Allowed 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.724 1.21 . . . . 0.0 113.002 -172.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 84.5 m95 -64.74 113.74 3.98 Favored 'General case' 0 C--O 1.235 0.315 0 O-C-N 120.158 -1.589 . . . . 0.0 110.7 178.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.88 163.67 25.83 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 125.982 1.713 . . . . 0.0 111.27 -172.213 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -147.21 147.01 30.03 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.389 1.475 . . . . 0.0 110.161 175.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -112.25 121.21 44.27 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 124.288 1.035 . . . . 0.0 108.93 171.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.7 0.59 42.68 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 115.343 1.609 . . . . 0.0 115.343 -173.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -111.98 -29.2 7.72 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.183 1.393 . . . . 0.0 112.607 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.2 t -113.65 3.35 15.6 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.74 0.816 . . . . 0.0 112.488 173.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? 54.65 40.43 31.88 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 126.076 1.75 . . . . 0.0 112.527 169.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.8 m -121.77 114.42 21.07 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 125.718 1.607 . . . . 0.0 109.167 -170.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -68.03 162.41 24.58 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 122.249 1.024 . . . . 0.0 111.271 169.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.7 m -145.67 157.77 43.92 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 124.713 1.205 . . . . 0.0 108.043 169.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.1 p -147.67 72.83 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 126.273 1.829 . . . . 0.0 109.486 177.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.9 m -67.45 110.41 3.6 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 121.305 -0.872 . . . . 0.0 110.202 179.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -57.4 146.27 29.86 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 128.021 2.528 . . . . 0.0 115.749 -169.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -167.01 38.33 0.24 Allowed Glycine 0 CA--C 1.535 1.338 0 C-N-CA 126.448 1.975 . . . . 0.0 110.638 169.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.7 m -146.09 -14.21 0.47 Allowed 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.932 1.693 . . . . 0.0 114.779 -168.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -85.31 8.75 17.5 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 124.694 1.198 . . . . 0.0 112.043 174.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 60.1 m80 58.24 36.81 25.98 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 127.32 2.248 . . . . 0.0 115.145 169.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -144.34 132.01 21.18 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.158 0.983 . . . . 0.0 112.726 171.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -164.67 146.68 8.34 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.516 1.526 . . . . 0.0 110.979 170.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 15.8 p80 -158.81 156.68 30.15 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.416 1.486 . . . . 0.0 109.991 168.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.458 ' CD2' ' HD1' ' A' ' 66' ' ' HIS . 24.9 p-80 -156.4 -172.8 4.22 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.637 1.575 . . . . 0.0 110.397 170.113 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.75 57.65 0.06 Allowed 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 127.486 2.314 . . . . 0.0 115.93 -175.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.458 ' HD1' ' CD2' ' A' ' 64' ' ' HIS . 10.2 p-80 -129.83 155.8 45.39 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.973 1.709 . . . . 0.0 111.387 173.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.2 tpp180 -161.16 -71.1 0.06 Allowed 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 169.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -82.68 38.82 0.58 Allowed 'General case' 0 CA--C 1.555 1.144 0 C-N-CA 125.366 1.466 . . . . 0.0 112.701 -176.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.4 t -151.36 38.78 0.64 Allowed 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.995 2.118 . . . . 0.0 110.25 -177.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 53.1 m -111.18 171.86 4.0 Favored Pre-proline 0 CA--C 1.544 0.734 0 C-N-CA 126.124 1.77 . . . . 0.0 111.867 -173.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -48.61 -14.23 0.34 Allowed 'Trans proline' 0 CA--C 1.542 0.878 0 C-N-CA 124.758 3.639 . . . . 0.0 117.632 172.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 81.5 mt -76.88 -27.6 55.06 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 119.87 1.214 . . . . 0.0 113.34 171.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -84.27 -4.52 58.9 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.26 1.424 . . . . 0.0 114.426 -169.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 35.4 m -65.71 7.9 0.22 Allowed 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 117.85 2.537 . . . . 0.0 117.85 -169.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -76.08 141.98 41.87 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 120.522 1.51 . . . . 0.0 111.805 176.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 14.4 t -138.68 158.28 30.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 126.685 1.994 . . . . 0.0 109.706 -169.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -122.88 144.61 49.1 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 128.123 2.569 . . . . 0.0 110.225 178.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.0 p -143.61 134.14 21.78 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-O 121.373 0.606 . . . . 0.0 110.739 169.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -152.15 173.35 31.33 Favored Glycine 0 N--CA 1.47 0.944 0 N-CA-C 115.47 0.948 . . . . 0.0 115.47 173.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 54.25 54.23 9.82 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.474 1.11 . . . . 0.0 110.299 -168.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 52.7 tp -96.04 -29.37 14.16 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 126.43 1.892 . . . . 0.0 114.479 -175.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 111.97 159.99 15.34 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 125.475 1.512 . . . . 0.0 109.422 -169.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 32.5 m120 -67.3 92.51 0.28 Allowed 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 118.542 1.171 . . . . 0.0 112.637 -172.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -153.01 125.34 8.1 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 126.772 2.029 . . . . 0.0 110.113 -177.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -136.58 39.0 1.69 Allowed Glycine 0 CA--C 1.531 1.043 0 C-N-CA 125.689 1.614 . . . . 0.0 112.071 174.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -110.52 -0.46 17.36 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.303 1.441 . . . . 0.0 112.202 -175.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.253 19.0 pttp 48.9 -28.52 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 131.6 3.96 . . . . 0.0 119.085 -171.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 22.1 m -50.09 -47.65 53.64 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 126.555 1.942 . . . . 0.0 113.946 -169.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.72 -57.62 9.4 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 -178.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.8 pp -64.51 -32.36 73.96 Favored 'General case' 0 C--O 1.22 -0.476 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.335 -176.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -64.73 -48.63 73.93 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 125.521 1.529 . . . . 0.0 111.284 178.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.44 -31.96 70.6 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 118.536 -0.745 . . . . 0.0 112.378 172.246 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.09 -46.85 87.24 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 119.187 0.903 . . . . 0.0 111.464 175.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -62.95 -63.24 1.26 Allowed 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 125.038 1.335 . . . . 0.0 111.411 174.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -58.08 -20.25 41.58 Favored Glycine 0 CA--C 1.546 2.024 0 N-CA-C 115.917 1.127 . . . . 0.0 115.917 -179.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -57.69 -50.75 72.16 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 119.295 1.547 . . . . 0.0 112.976 169.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -63.17 -37.99 89.4 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 118.822 0.737 . . . . 0.0 110.07 174.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 174.74 160.84 23.49 Favored Glycine 0 N--CA 1.473 1.147 0 CA-C-O 118.577 -1.124 . . . . 0.0 114.625 168.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -54.22 127.67 26.77 Favored 'Trans proline' 0 CA--C 1.536 0.61 0 CA-C-N 121.133 2.466 . . . . 0.0 117.113 -169.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 21.3 mt -67.4 169.21 9.37 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.785 2.034 . . . . 0.0 113.243 169.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -123.78 -37.55 2.6 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.756 2.022 . . . . 0.0 111.25 169.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 9.0 t -154.6 157.26 37.95 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.73 1.212 . . . . 0.0 111.594 174.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 78.6 t -144.71 142.22 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 125.614 1.566 . . . . 0.0 108.829 176.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 81.5 t90 -138.77 145.01 39.67 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 125.703 1.601 . . . . 0.0 110.365 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 14.2 m -141.06 153.02 20.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 C-N-CA 124.416 1.087 . . . . 0.0 108.361 170.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -81.13 -172.1 3.58 Favored 'General case' 0 CA--C 1.552 1.057 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -169.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.15 -16.76 13.71 Favored 'General case' 0 N--CA 1.484 1.255 0 N-CA-C 117.736 2.495 . . . . 0.0 117.736 -168.175 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -119.46 114.29 34.62 Favored Pre-proline 0 CA--C 1.542 0.654 0 CA-C-O 117.268 -1.349 . . . . 0.0 108.921 -172.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER 6.83 63.31 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.085 1 C-N-CA 128.088 5.859 . . . . 0.0 116.781 -168.677 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -77.7 158.1 31.81 Favored 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 122.987 2.458 . . . . 0.0 114.797 -167.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -148.42 35.38 1.14 Allowed Glycine 0 CA--C 1.533 1.187 0 C-N-CA 128.299 2.857 . . . . 0.0 108.421 168.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -154.6 140.28 18.0 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 129.84 3.256 . . . . 0.0 107.422 -168.241 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -164.25 175.24 10.29 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.341 1.056 . . . . 0.0 112.801 -167.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -135.01 164.14 28.3 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-O 122.074 0.94 . . . . 0.0 112.835 175.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -153.91 155.45 6.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 124.502 1.121 . . . . 0.0 110.785 -169.198 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -143.28 128.57 18.83 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.569 1.548 . . . . 0.0 109.498 169.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -97.58 173.56 7.08 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.212 1.005 . . . . 0.0 112.72 176.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -90.12 -55.0 3.78 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 120.977 -1.077 . . . . 0.0 112.491 176.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -87.5 130.72 46.31 Favored Pre-proline 0 CA--C 1.547 0.845 0 C-N-CA 124.4 1.08 . . . . 0.0 109.026 170.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -61.72 -22.16 73.77 Favored 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 121.889 1.726 . . . . 0.0 112.56 175.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.9 -27.04 62.58 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.597 1.159 . . . . 0.0 113.009 171.469 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -66.88 -46.9 73.52 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 119.683 1.129 . . . . 0.0 110.315 169.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.37 -44.96 89.07 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 122.752 0.421 . . . . 0.0 111.945 172.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.28 -49.39 77.22 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 118.645 0.657 . . . . 0.0 112.603 178.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.22 -42.91 99.42 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 118.78 0.718 . . . . 0.0 111.642 177.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.88 -55.33 34.31 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.254 0.622 . . . . 0.0 110.416 177.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 41.5 t -52.49 -41.02 35.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 124.733 1.213 . . . . 0.0 111.898 175.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.68 -20.56 61.92 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 114.968 1.47 . . . . 0.0 114.968 -179.358 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -127.75 16.2 6.92 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 115.343 1.608 . . . . 0.0 115.343 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 24.0 mt -112.09 -8.11 14.04 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.176 1.791 . . . . 0.0 113.94 172.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -93.17 151.53 19.78 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 117.19 2.292 . . . . 0.0 117.19 -168.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 57.56 22.09 44.57 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 127.077 2.275 . . . . 0.0 118.406 168.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 19.8 mtm180 -128.42 -72.81 0.6 Allowed 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.357 1.579 . . . . 0.0 114.724 -169.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 5.6 m 165.19 145.53 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 130.301 3.44 . . . . 0.0 107.853 -169.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -144.19 -65.03 0.36 Allowed 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 118.18 0.446 . . . . 0.0 110.81 168.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 18.7 t -84.72 -46.42 11.46 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 118.253 0.479 . . . . 0.0 110.657 170.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 170.29 48.05 0.03 OUTLIER Glycine 0 CA--C 1.532 1.151 0 N-CA-C 115.745 1.058 . . . . 0.0 115.745 173.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 5.9 t -153.42 -133.78 0.05 OUTLIER 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 124.197 0.999 . . . . 0.0 111.505 -174.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 18.5 mtm-85 -126.13 -3.86 6.89 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 115.939 1.829 . . . . 0.0 115.939 -170.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 6.1 m 34.13 80.63 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 130.555 3.542 . . . . 0.0 117.145 172.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -76.37 123.82 26.57 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 105.963 -1.866 . . . . 0.0 105.963 166.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 96.7 t -137.43 122.8 25.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 -171.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -142.75 167.78 21.27 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.464 0.705 . . . . 0.0 110.706 -169.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 4.2 pp -69.95 147.8 49.74 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 120.302 -1.499 . . . . 0.0 108.551 167.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.5 t -77.6 126.78 31.42 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 121.777 -0.577 . . . . 0.0 111.046 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 49.7 p30 -78.56 3.3 16.51 Favored 'General case' 0 CA--C 1.552 1.047 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 174.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -78.89 47.5 3.11 Favored Glycine 0 CA--C 1.539 1.575 0 C-N-CA 125.862 1.696 . . . . 0.0 116.287 -172.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -147.74 159.58 43.66 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 119.225 1.513 . . . . 0.0 112.888 175.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.06 25.08 2.52 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 126.696 1.998 . . . . 0.0 112.841 178.141 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 15.6 mmt180 . . . . . 0 N--CA 1.483 1.192 0 C-N-CA 126.827 2.051 . . . . 0.0 112.076 -168.303 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 151' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.826 1 C3'-C2'-C1' 105.393 4.326 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 152' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.124 3 O4'-C1'-N19 115.272 7.072 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.554 3.362 1 N19-C1'-C2' 124.363 6.852 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.351 4 O4'-C1'-N19 118.274 10.074 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.483 1.223 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -88.74 143.04 27.18 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 120.891 -1.13 . . . . 0.0 111.647 175.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.422 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 89.8 m-85 -128.7 156.57 43.28 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 127.347 2.259 . . . . 0.0 108.759 -178.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -110.7 161.55 15.65 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.903 1.281 . . . . 0.0 111.414 -178.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -146.03 135.45 23.01 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 126.097 1.759 . . . . 0.0 110.572 175.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mp -111.62 129.04 67.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 126.218 1.807 . . . . 0.0 110.458 172.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.4 mp -102.63 65.06 0.9 Allowed 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 128.005 2.522 . . . . 0.0 109.651 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -55.97 95.36 0.01 OUTLIER 'General case' 0 CA--C 1.555 1.147 0 C-N-CA 124.108 0.963 . . . . 0.0 112.46 172.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -144.77 147.82 19.23 Favored Glycine 0 CA--C 1.533 1.186 0 O-C-N 120.594 -1.316 . . . . 0.0 115.635 170.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 18.3 pttm -38.18 -37.84 0.3 Allowed 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 130.745 3.618 . . . . 0.0 120.703 -169.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.1 m -137.75 3.45 2.49 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.594 1.158 . . . . 0.0 112.254 -168.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -146.03 -2.15 0.72 Allowed 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 116.266 1.95 . . . . 0.0 116.266 -167.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.57 146.77 0.21 Allowed 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 116.851 2.167 . . . . 0.0 116.851 -168.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -168.4 -157.54 11.4 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 117.7 1.84 . . . . 0.0 117.7 169.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -157.84 157.88 34.1 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.448 1.899 . . . . 0.0 112.075 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.3 t -156.8 -174.77 5.08 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.921 1.688 . . . . 0.0 110.1 177.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 64.0 p -141.53 170.19 16.18 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 125.84 1.656 . . . . 0.0 110.899 176.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.3 t -156.45 154.82 31.03 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.833 0.853 . . . . 0.0 111.432 171.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -80.66 117.08 21.04 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 168.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -134.82 177.13 8.03 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.627 1.571 . . . . 0.0 112.645 179.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.46 ' H ' ' HB ' ' A' ' 25' ' ' THR . 52.3 t -85.95 -39.07 13.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 O-C-N 121.294 -0.879 . . . . 0.0 111.741 170.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.422 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 2.9 t70 175.95 -156.05 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 131.14 3.776 . . . . 0.0 106.679 172.26 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.19 -21.97 2.34 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 120.402 1.455 . . . . 0.0 114.325 169.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.39 -7.81 21.63 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.788 1.235 . . . . 0.0 113.589 173.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.46 ' HB ' ' H ' ' A' ' 21' ' ' VAL . 22.1 m -138.02 -35.72 0.62 Allowed 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.579 1.552 . . . . 0.0 112.62 176.313 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.24 -39.54 92.85 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.362 1.065 . . . . 0.0 110.511 175.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -76.87 8.82 3.36 Favored 'General case' 0 CA--C 1.553 1.068 0 N-CA-C 114.435 1.272 . . . . 0.0 114.435 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.33 17.63 4.46 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.966 1.706 . . . . 0.0 112.482 170.124 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.8 t -118.36 -48.4 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 124.752 1.221 . . . . 0.0 109.418 172.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -63.22 -29.23 70.61 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 178.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -61.66 -31.24 71.34 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.521 0.728 . . . . 0.0 112.675 176.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -84.74 -44.93 12.9 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.55 1.14 . . . . 0.0 110.159 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -63.02 -42.86 99.9 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.63 0.772 . . . . 0.0 111.989 177.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.76 -47.45 80.95 Favored 'General case' 0 N--CA 1.453 -0.302 0 O-C-N 121.318 -0.864 . . . . 0.0 112.053 -178.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -64.28 -23.13 67.19 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 174.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -79.04 -28.76 43.26 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.248 0.931 . . . . 0.0 113.135 175.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -77.97 -40.97 37.62 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 167.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 125.64 -0.41 7.95 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 128.439 2.923 . . . . 0.0 114.988 169.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.4 t -77.96 141.9 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-N 118.799 1.299 . . . . 0.0 109.908 175.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -161.61 60.7 0.26 Allowed 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 122.378 1.085 . . . . 0.0 113.046 169.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.425 ' H ' HG23 ' A' ' 54' ' ' VAL . . . -92.04 -147.65 20.99 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 125.163 1.363 . . . . 0.0 115.54 177.445 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -65.47 117.48 8.03 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.695 0.798 . . . . 0.0 111.011 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 77.8 m95 -81.64 130.63 35.12 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.916 0.865 . . . . 0.0 110.592 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -136.03 159.18 42.49 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 126.594 1.958 . . . . 0.0 110.105 -173.474 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -156.29 165.95 34.86 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.389 1.476 . . . . 0.0 110.701 -178.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -141.97 165.56 27.12 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.623 1.169 . . . . 0.0 112.18 176.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.45 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -125.18 0.31 7.8 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 115.122 1.527 . . . . 0.0 115.122 -179.592 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -94.01 -31.21 14.33 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.011 1.325 . . . . 0.0 111.367 170.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.1 t -129.73 2.43 4.94 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.611 1.164 . . . . 0.0 113.728 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.45 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 3.0 mmpt? 51.57 41.05 28.35 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 125.044 1.338 . . . . 0.0 113.612 168.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 45.2 m -118.02 111.6 19.16 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 125.815 1.646 . . . . 0.0 109.119 -170.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -67.42 162.97 21.89 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 122.196 0.998 . . . . 0.0 111.316 169.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.2 m -146.59 153.24 40.11 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 124.822 1.249 . . . . 0.0 108.139 169.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.425 HG23 ' H ' ' A' ' 41' ' ' GLY . 13.1 p -138.24 107.58 4.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 126.1 1.76 . . . . 0.0 108.403 171.559 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 87.0 m -109.28 104.13 13.21 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.776 0.83 . . . . 0.0 110.689 -173.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -46.97 120.64 3.16 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 126.088 1.755 . . . . 0.0 112.022 -175.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 49.3 28.24 8.74 Favored Glycine 0 CA--C 1.54 1.643 0 N-CA-C 116.14 1.216 . . . . 0.0 116.14 179.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.7 m 58.54 26.4 14.3 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.469 1.508 . . . . 0.0 114.889 -174.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -140.39 153.52 46.37 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.784 1.234 . . . . 0.0 112.419 174.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 13.8 t-160 -153.96 105.99 2.8 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 121.283 -0.885 . . . . 0.0 112.565 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -132.33 -157.42 0.82 Allowed 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 126.331 1.853 . . . . 0.0 109.653 175.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -131.83 102.12 5.73 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.044 1.337 . . . . 0.0 109.883 175.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 13.1 p80 -143.61 178.18 7.97 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.222 1.009 . . . . 0.0 112.096 176.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 6.7 m80 -126.5 -139.66 0.27 Allowed 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.29 1.036 . . . . 0.0 112.093 -167.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.89 19.36 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 127.103 2.161 . . . . 0.0 115.521 173.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 28.6 p80 -142.28 161.47 37.95 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 127.828 2.451 . . . . 0.0 109.579 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -75.71 143.99 41.79 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.348 0.659 . . . . 0.0 110.228 171.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -68.75 -5.09 18.55 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.531 1.532 . . . . 0.0 114.572 171.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 88.7 p -67.38 -6.53 19.42 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.002 1.321 . . . . 0.0 114.267 170.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 42.2 t -124.69 76.95 64.51 Favored Pre-proline 0 CA--C 1.549 0.915 0 C-N-CA 125.652 1.581 . . . . 0.0 111.102 171.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_exo -57.46 80.57 0.04 OUTLIER 'Trans proline' 0 CA--C 1.544 0.988 0 C-N-CA 124.909 3.74 . . . . 0.0 113.46 169.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -58.61 -11.11 2.69 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 126.265 1.826 . . . . 0.0 115.31 -178.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -70.63 -9.44 57.01 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 127.51 2.324 . . . . 0.0 114.933 169.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 94.0 m -67.9 13.64 0.08 Allowed 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 115.595 1.702 . . . . 0.0 115.595 178.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -71.97 129.3 38.23 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.808 1.643 . . . . 0.0 111.569 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -133.51 147.14 31.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 C-N-CA 125.874 1.67 . . . . 0.0 109.858 179.213 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -87.18 149.86 24.34 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 127.372 2.269 . . . . 0.0 109.796 177.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.1 p -148.79 115.58 0.86 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.312 0 CA-C-N 118.84 0.745 . . . . 0.0 110.731 169.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -151.49 -170.74 18.67 Favored Glycine 0 N--CA 1.473 1.142 0 N-CA-C 117.72 1.848 . . . . 0.0 117.72 -171.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.7 m120 62.25 23.65 14.01 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 126.964 2.106 . . . . 0.0 115.184 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -69.52 -23.73 63.64 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 120.972 -1.08 . . . . 0.0 112.997 170.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 81.56 -48.13 3.78 Favored Glycine 0 CA--C 1.539 1.581 0 C-N-CA 125.82 1.676 . . . . 0.0 115.993 176.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -151.66 42.97 0.73 Allowed 'General case' 0 CA--C 1.551 0.985 0 CA-C-N 118.834 1.317 . . . . 0.0 114.11 -169.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -144.46 48.14 1.36 Allowed 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.797 1.639 . . . . 0.0 112.287 -177.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -72.0 59.79 1.39 Allowed Glycine 0 N--CA 1.477 1.428 0 C-N-CA 125.098 1.332 . . . . 0.0 114.085 176.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -139.46 151.51 46.26 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 127.274 2.23 . . . . 0.0 108.775 174.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.5 ptmm? -111.02 3.95 19.09 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 116.208 1.929 . . . . 0.0 116.208 -170.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 5.5 m -58.0 -52.17 66.61 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 120.629 1.559 . . . . 0.0 111.175 175.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.87 -49.5 77.21 Favored 'General case' 0 C--N 1.339 0.135 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 176.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 59.8 mt -54.39 -55.77 25.3 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-O 121.737 0.779 . . . . 0.0 111.219 -175.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -60.32 -42.57 95.87 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 125.277 1.431 . . . . 0.0 112.01 -174.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.39 -37.05 66.11 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 119.192 0.906 . . . . 0.0 113.231 171.247 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.97 -46.33 85.1 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 119.242 0.928 . . . . 0.0 110.774 -176.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -63.68 -62.96 1.32 Allowed 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 125.477 1.511 . . . . 0.0 112.084 173.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.82 -19.8 56.18 Favored Glycine 0 CA--C 1.542 1.765 0 N-CA-C 115.289 0.876 . . . . 0.0 115.289 -175.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -54.98 -49.63 70.97 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.119 1.368 . . . . 0.0 112.406 168.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -71.01 -40.96 71.5 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.741 0.816 . . . . 0.0 111.183 178.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -173.72 161.69 32.29 Favored Glycine 0 N--CA 1.478 1.464 0 CA-C-O 118.8 -1.0 . . . . 0.0 114.279 169.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -64.25 140.71 72.17 Favored 'Trans proline' 0 CA--C 1.536 0.575 0 CA-C-N 120.81 2.305 . . . . 0.0 115.74 -168.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 15.7 mt -89.72 160.35 16.62 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 127.164 2.186 . . . . 0.0 113.21 -177.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -112.82 -37.66 4.78 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.928 1.691 . . . . 0.0 111.705 169.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 9.8 t -160.21 158.54 30.2 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.121 1.369 . . . . 0.0 112.107 172.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 58.7 t -141.88 143.84 26.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 125.988 1.715 . . . . 0.0 107.907 169.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 80.5 t90 -145.54 149.25 34.26 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 124.898 1.279 . . . . 0.0 111.004 -173.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 4.3 m -141.32 149.98 20.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.104 0.962 . . . . 0.0 109.035 173.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -88.31 135.89 33.24 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -169.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.413 ' HE ' ' ND2' ' A' ' 108' ' ' ASN . 0.0 OUTLIER -71.67 0.07 9.63 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 127.703 2.401 . . . . 0.0 116.543 -176.569 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.413 ' ND2' ' HE ' ' A' ' 107' ' ' ARG . 82.4 m-20 -121.35 -43.07 0.04 OUTLIER Pre-proline 0 CA--C 1.549 0.938 0 CA-C-O 117.213 -1.375 . . . . 0.0 113.857 178.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -109.72 94.73 0.02 OUTLIER 'Trans proline' 0 CA--C 1.547 1.17 0 C-N-CA 124.389 3.393 . . . . 0.0 109.543 178.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -75.88 44.98 1.4 Allowed 'Trans proline' 0 CA--C 1.544 1.022 0 C-N-CA 124.83 3.687 . . . . 0.0 113.986 -169.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -150.54 13.34 0.91 Allowed Glycine 0 CA--C 1.532 1.154 0 C-N-CA 125.282 1.42 . . . . 0.0 113.83 177.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -145.19 138.83 26.79 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 126.577 1.951 . . . . 0.0 108.795 -169.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -163.24 -179.55 6.69 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 -166.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -144.49 166.34 25.42 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 1.4 p -151.17 155.54 7.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 126.247 1.819 . . . . 0.0 111.086 -176.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 68.2 tt0 -140.49 120.15 13.34 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.272 1.429 . . . . 0.0 108.8 168.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -88.19 171.49 10.18 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 123.788 0.835 . . . . 0.0 112.238 177.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -80.16 -20.5 44.73 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 170.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -144.71 127.8 8.51 Favored Pre-proline 0 CA--C 1.551 0.995 0 C-N-CA 124.006 0.923 . . . . 0.0 111.99 -169.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_exo -56.11 -34.06 91.82 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 123.82 3.014 . . . . 0.0 114.89 177.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 22.5 ttp-105 -58.09 -47.88 81.87 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 119.104 0.865 . . . . 0.0 110.524 175.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -76.22 -34.87 59.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.183 -174.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.15 -42.65 95.33 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 122.943 0.497 . . . . 0.0 111.552 169.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -68.21 -44.61 75.39 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.761 0.824 . . . . 0.0 112.456 179.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -68.73 -34.2 75.21 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.416 -0.803 . . . . 0.0 112.261 176.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.37 -53.39 57.27 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 118.487 -0.768 . . . . 0.0 110.423 169.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 12.4 t -49.13 -48.2 17.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 C-N-CA 124.794 1.238 . . . . 0.0 111.874 172.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 19.7 ttp85 -57.85 -29.16 64.76 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.933 1.693 . . . . 0.0 113.203 177.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -114.35 16.67 17.81 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.395 1.478 . . . . 0.0 113.296 179.3 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 56.5 mt -133.73 -28.6 1.4 Allowed 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.295 1.038 . . . . 0.0 113.678 -178.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -67.6 128.4 36.3 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 120.076 1.307 . . . . 0.0 111.938 173.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 72.83 -39.02 0.77 Allowed Glycine 0 CA--C 1.535 1.329 0 C-N-CA 127.015 2.245 . . . . 0.0 116.68 171.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.88 6.47 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 130.129 3.371 . . . . 0.0 118.368 -172.622 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 90.1 m 65.42 134.12 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 128.559 2.744 . . . . 0.0 114.708 -175.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 10.3 tp -164.66 144.51 7.39 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 130.438 3.495 . . . . 0.0 102.534 -179.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 34.6 m 60.93 -57.09 0.09 Allowed 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.18 1.392 . . . . 0.0 113.211 -169.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 158.76 33.82 0.02 OUTLIER Glycine 0 CA--C 1.532 1.15 0 N-CA-C 118.37 2.108 . . . . 0.0 118.37 167.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 4.2 t -146.74 -155.72 0.65 Allowed 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 119.206 1.503 . . . . 0.0 112.331 -177.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -100.54 94.2 6.01 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 106.474 -1.676 . . . . 0.0 106.474 172.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 2.0 t -68.32 136.84 25.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 C-N-CA 125.108 1.363 . . . . 0.0 107.772 -173.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -108.55 96.7 6.52 Favored 'General case' 0 CA--C 1.511 -0.538 0 C-N-CA 124.322 1.049 . . . . 0.0 108.429 172.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 17.7 t -115.07 108.45 25.43 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 N-CA-C 106.703 -1.591 . . . . 0.0 106.703 -173.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -141.11 145.87 36.35 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 122.069 -0.394 . . . . 0.0 111.476 -167.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -60.08 130.79 48.46 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 120.217 -1.552 . . . . 0.0 109.246 173.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 32.5 t -63.4 119.35 9.55 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 121.398 0.618 . . . . 0.0 111.963 -169.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -132.14 9.47 4.46 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.933 1.693 . . . . 0.0 112.698 -175.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -84.58 171.53 47.52 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 124.19 0.9 . . . . 0.0 114.276 174.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -156.58 -178.77 7.59 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 126.151 1.781 . . . . 0.0 111.441 178.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -163.72 165.76 22.86 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.877 1.671 . . . . 0.0 112.209 169.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? . . . . . 0 C--O 1.253 1.258 0 C-N-CA 126.796 2.038 . . . . 0.0 111.191 176.918 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 151' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.738 1 C3'-C2'-C1' 106.524 5.582 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 152' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.267 1 P-O3'-C3' 125.422 4.768 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.792 3 N19-C1'-C2' 124.48 6.925 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.475 2 O4'-C1'-N19 113.849 5.649 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.7 mmt . . . . . 0 N--CA 1.487 1.42 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . 0.258 20.2 tt0 63.91 137.26 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 128.37 2.668 . . . . 0.0 114.501 -169.185 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -129.37 151.94 49.47 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 126.814 2.046 . . . . 0.0 108.323 -177.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -106.66 163.73 12.66 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.995 1.318 . . . . 0.0 111.174 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 15.9 tp -142.77 140.58 31.45 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 126.824 2.05 . . . . 0.0 110.759 173.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.4 mp -119.15 111.84 35.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 126.408 1.883 . . . . 0.0 108.92 173.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 68.9 mt -82.31 66.59 7.97 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 126.67 1.988 . . . . 0.0 111.549 172.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -65.53 74.1 0.06 Allowed 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 115.263 1.579 . . . . 0.0 115.263 -178.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.26 169.25 31.71 Favored Glycine 0 CA--C 1.526 0.735 0 O-C-N 120.962 -1.086 . . . . 0.0 114.467 171.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.8 tptt -53.73 -54.58 36.05 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.233 1.013 . . . . 0.0 112.834 -169.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.0 p -124.83 -26.25 3.8 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.785 1.234 . . . . 0.0 113.626 -177.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -90.43 -5.92 55.53 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 -170.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.63 148.32 0.1 Allowed 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 117.262 2.319 . . . . 0.0 117.262 -168.573 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.89 -161.11 16.83 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 116.648 1.419 . . . . 0.0 116.648 169.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -143.15 163.5 32.72 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.1 0.96 . . . . 0.0 112.551 -170.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.7 t -159.33 -177.39 6.41 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.568 1.547 . . . . 0.0 110.541 169.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 77.1 p -141.95 170.45 15.7 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 126.098 1.759 . . . . 0.0 110.347 173.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.406 HG21 ' CG1' ' A' ' 29' ' ' VAL . 5.3 t -157.59 151.36 24.12 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.154 0.982 . . . . 0.0 110.655 176.522 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -81.1 123.03 28.06 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 107.061 -1.459 . . . . 0.0 107.061 167.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.8 173.53 11.44 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.245 1.418 . . . . 0.0 112.272 178.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 97.0 t -78.03 -47.23 25.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 O-C-N 121.995 -0.44 . . . . 0.0 110.379 169.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.5 t70 178.75 -156.75 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 130.413 3.485 . . . . 0.0 106.236 178.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.52 -19.86 1.64 Allowed 'General case' 0 CA--C 1.547 0.831 0 O-C-N 120.011 -1.681 . . . . 0.0 114.535 169.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.22 -10.4 31.47 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.252 1.021 . . . . 0.0 113.654 172.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 53.7 m -137.5 -36.01 0.65 Allowed 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 126.105 1.762 . . . . 0.0 112.236 178.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.18 -34.91 77.16 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.988 1.315 . . . . 0.0 111.09 176.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -78.03 6.65 7.44 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 177.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.68 18.27 3.31 Favored 'General case' 0 N--CA 1.466 0.357 0 O-C-N 120.503 -1.373 . . . . 0.0 112.202 175.577 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.406 ' CG1' HG21 ' A' ' 18' ' ' THR . 6.1 p -123.77 -40.73 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 124.532 1.133 . . . . 0.0 111.941 177.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -68.46 -27.5 66.22 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 123.887 0.875 . . . . 0.0 113.031 173.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -54.8 -29.01 53.49 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.394 1.478 . . . . 0.0 113.256 176.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -81.06 -53.12 6.69 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.503 0.721 . . . . 0.0 109.922 178.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -60.19 -42.48 95.17 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.26 1.024 . . . . 0.0 112.675 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.95 -52.03 67.19 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 123.803 0.841 . . . . 0.0 111.798 178.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -68.76 -17.64 64.07 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -85.02 -30.39 24.19 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.878 0.871 . . . . 0.0 112.828 175.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 56.4 m-80 -76.29 -38.34 56.25 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 168.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 123.88 -0.69 9.2 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 128.288 2.851 . . . . 0.0 115.126 169.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.3 t -75.16 147.13 8.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 CA-C-N 118.502 1.151 . . . . 0.0 110.599 175.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -164.3 73.42 0.26 Allowed 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 122.413 1.101 . . . . 0.0 111.935 168.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.454 ' H ' HG21 ' A' ' 54' ' ' VAL . . . -111.84 -140.36 8.07 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 125.218 1.389 . . . . 0.0 116.323 -177.265 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -73.93 90.11 1.92 Allowed 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.109 1.364 . . . . 0.0 112.166 -173.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 92.1 m95 -63.88 110.99 2.28 Favored 'General case' 0 C--O 1.235 0.295 0 O-C-N 120.767 -1.208 . . . . 0.0 109.875 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 60.4 m -132.56 163.09 29.64 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 127.851 2.461 . . . . 0.0 109.048 -168.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -157.59 167.41 30.22 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.113 1.365 . . . . 0.0 111.174 -169.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -139.89 163.82 31.62 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.879 1.272 . . . . 0.0 111.608 174.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.434 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -124.73 2.71 8.2 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 114.87 1.433 . . . . 0.0 114.87 -178.523 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -98.36 -31.14 12.18 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.378 1.471 . . . . 0.0 111.435 170.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.6 t -127.43 0.85 6.29 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.404 1.081 . . . . 0.0 113.744 178.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.434 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 2.9 mmpt? 52.29 42.4 30.9 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.035 1.334 . . . . 0.0 113.421 168.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.7 m -119.49 112.93 19.99 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 126.08 1.752 . . . . 0.0 109.164 -171.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -65.32 159.88 22.97 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.194 0.998 . . . . 0.0 111.487 169.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 36.3 m -146.49 150.72 36.13 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 125.508 1.523 . . . . 0.0 108.001 169.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.454 HG21 ' H ' ' A' ' 41' ' ' GLY . 11.1 p -142.47 79.18 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 125.336 1.454 . . . . 0.0 109.732 177.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.3 m -67.2 107.63 2.41 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.51 177.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -42.53 131.35 3.85 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.897 1.679 . . . . 0.0 113.795 -172.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -58.23 -15.96 25.06 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 125.297 1.427 . . . . 0.0 116.05 -169.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.0 m -58.73 -23.71 60.25 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.096 1.358 . . . . 0.0 113.52 169.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -149.55 -179.73 7.32 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.515 1.526 . . . . 0.0 113.215 -175.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -140.22 151.31 45.08 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.812 2.045 . . . . 0.0 108.306 169.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 25.0 m-70 -133.07 -11.08 2.95 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 115.645 1.72 . . . . 0.0 115.645 -169.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -79.35 -41.53 27.67 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 120.359 1.436 . . . . 0.0 112.156 175.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -133.78 21.2 3.87 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 126.437 1.895 . . . . 0.0 111.756 177.549 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 18.8 m80 53.37 9.08 0.14 Allowed 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 118.723 2.86 . . . . 0.0 118.723 169.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 40.9 tpp -26.15 -66.02 0.06 Allowed 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 128.054 2.542 . . . . 0.0 115.169 -169.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 27.8 t-80 -90.2 93.15 9.24 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 167.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -34.79 111.53 0.12 Allowed 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 127.172 2.189 . . . . 0.0 114.166 -168.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -66.95 -17.43 64.91 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 114.133 1.16 . . . . 0.0 114.133 177.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 39.7 t -152.43 -62.74 0.16 Allowed 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.748 1.219 . . . . 0.0 111.783 170.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.495 ' H ' ' HD3' ' A' ' 71' ' ' PRO . 26.5 p -162.33 -2.12 0.0 OUTLIER Pre-proline 0 CA--C 1.564 1.49 0 N-CA-C 119.519 3.155 . . . . 0.0 119.519 -171.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.495 ' HD3' ' H ' ' A' ' 70' ' ' CYS . 96.3 Cg_exo -50.25 162.25 0.89 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 CA-C-N 124.285 2.566 . . . . 0.0 116.846 179.389 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 17.9 tp -121.81 4.59 9.99 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 125.563 1.545 . . . . 0.0 113.171 176.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -58.51 -9.14 1.47 Allowed 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 116.499 2.037 . . . . 0.0 116.499 -178.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 9.5 p -65.6 -29.89 70.55 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 120.204 -1.56 . . . . 0.0 112.879 169.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 61.7 mttm -87.18 170.11 11.76 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.193 1.397 . . . . 0.0 112.445 -177.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -139.72 146.79 24.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 125.171 1.388 . . . . 0.0 110.565 -179.411 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -102.57 150.56 23.29 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 126.947 2.099 . . . . 0.0 111.08 -173.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -147.0 125.98 4.3 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.193 0 O-C-N 122.203 -0.31 . . . . 0.0 110.301 169.543 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.412 ' HA2' ' HA ' ' A' ' 112' ' ' PHE . . . -152.2 -170.47 18.81 Favored Glycine 0 N--CA 1.469 0.9 0 N-CA-C 115.97 1.148 . . . . 0.0 115.97 -179.104 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 40.69 56.05 2.88 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.28 1.432 . . . . 0.0 110.94 -169.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 31.5 tp -110.42 -44.77 3.65 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.299 1.439 . . . . 0.0 114.799 -168.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 147.73 -178.65 25.19 Favored Glycine 0 CA--C 1.534 1.229 0 CA-C-N 119.233 0.924 . . . . 0.0 115.256 176.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -62.38 -33.58 75.02 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.559 1.544 . . . . 0.0 114.63 -177.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 43.0 m-20 -83.95 69.37 10.28 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.584 -0.698 . . . . 0.0 111.707 -169.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -67.87 70.28 0.29 Allowed Glycine 0 CA--C 1.531 1.077 0 C-N-CA 126.319 1.914 . . . . 0.0 113.336 175.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -133.28 139.6 47.0 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.2 1.8 . . . . 0.0 109.629 173.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.5 ptmm? -71.24 -28.34 64.11 Favored 'General case' 0 C--O 1.22 -0.456 0 N-CA-C 115.508 1.67 . . . . 0.0 115.508 -175.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 21.4 m -46.34 -57.08 4.94 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 115.785 1.772 . . . . 0.0 115.785 -168.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -78.25 -40.86 35.9 Favored 'General case' 0 CA--C 1.531 0.224 0 O-C-N 121.066 -1.021 . . . . 0.0 111.512 -175.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.3 pp -63.77 -32.13 73.54 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.638 1.108 . . . . 0.0 111.847 176.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -62.6 -46.5 87.99 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 125.165 1.386 . . . . 0.0 111.588 174.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -34.84 78.79 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 119.259 0.936 . . . . 0.0 112.518 169.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.34 -48.07 81.46 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 119.306 0.957 . . . . 0.0 111.403 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.41 ' CE1' HD12 ' A' ' 130' ' ' LEU . 19.3 m-85 -64.02 -62.9 1.33 Allowed 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 125.299 1.439 . . . . 0.0 111.61 173.443 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -55.73 -22.7 34.12 Favored Glycine 0 CA--C 1.547 2.033 0 N-CA-C 115.781 1.072 . . . . 0.0 115.781 -178.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -55.44 -52.37 63.83 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.708 1.603 . . . . 0.0 112.992 169.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -68.64 -40.38 80.3 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.659 0.784 . . . . 0.0 111.198 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -170.22 162.94 36.24 Favored Glycine 0 N--CA 1.477 1.387 0 CA-C-O 118.659 -1.078 . . . . 0.0 113.382 169.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -70.63 134.61 26.53 Favored 'Trans proline' 0 CA--C 1.534 0.501 0 CA-C-N 121.143 2.471 . . . . 0.0 114.51 -169.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 22.8 mt -80.46 153.16 28.37 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.535 1.934 . . . . 0.0 112.985 176.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -94.68 -43.01 8.47 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 126.403 1.881 . . . . 0.0 110.384 168.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 10.7 t -158.24 157.24 32.21 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.157 0.983 . . . . 0.0 111.972 -178.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 98.0 t -142.58 136.94 28.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 126.078 1.751 . . . . 0.0 109.213 178.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 86.2 t90 -142.8 146.42 34.2 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 125.4 1.48 . . . . 0.0 111.674 -178.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.5 m -143.39 149.97 17.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 124.427 1.091 . . . . 0.0 108.101 169.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.57 127.47 31.65 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.66 -0.65 . . . . 0.0 112.507 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.84 24.8 0.07 Allowed 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 126.513 1.925 . . . . 0.0 113.609 170.43 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -138.89 -162.46 0.05 OUTLIER Pre-proline 0 CA--C 1.563 1.464 0 C-N-CA 128.166 2.586 . . . . 0.0 108.528 -169.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_exo -43.17 119.3 1.59 Allowed 'Trans proline' 0 CA--C 1.55 1.321 0 C-N-CA 123.41 2.74 . . . . 0.0 114.405 177.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -80.63 169.88 16.35 Favored 'Trans proline' 0 CA--C 1.54 0.795 0 C-N-CA 123.61 2.873 . . . . 0.0 113.473 -170.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 140.52 -19.44 2.8 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 125.229 1.395 . . . . 0.0 114.158 173.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.412 ' C ' ' CD1' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -142.45 169.54 17.38 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 126.085 1.754 . . . . 0.0 111.986 -172.655 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -167.99 174.72 7.17 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 125.534 1.534 . . . . 0.0 111.656 -168.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -145.03 152.11 39.61 Favored 'General case' 0 N--CA 1.483 1.177 0 O-C-N 121.366 -0.834 . . . . 0.0 113.228 173.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 34.9 m -141.97 170.46 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 124.265 1.026 . . . . 0.0 113.183 175.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 60.7 tt0 -143.44 132.97 23.55 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.577 1.151 . . . . 0.0 109.267 169.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -104.05 155.68 18.49 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.48 1.512 . . . . 0.0 111.982 178.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -72.88 -20.17 61.15 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 175.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -139.19 131.44 15.37 Favored Pre-proline 0 CA--C 1.549 0.905 0 C-N-CA 124.438 1.095 . . . . 0.0 111.771 -172.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -78.53 -23.96 8.01 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 123.019 2.479 . . . . 0.0 114.863 -173.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -76.83 -33.76 57.92 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 120.683 1.583 . . . . 0.0 111.446 173.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -70.13 -39.12 75.6 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.515 0.726 . . . . 0.0 110.424 172.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.19 -41.68 93.43 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 122.841 0.457 . . . . 0.0 111.695 169.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.85 -43.69 92.21 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 119.338 0.972 . . . . 0.0 112.827 176.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -59.29 -44.16 92.53 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.784 -0.573 . . . . 0.0 111.266 172.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.62 -53.59 52.32 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.378 0.671 . . . . 0.0 110.099 178.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 41.0 t -49.03 -45.45 16.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 125.437 1.495 . . . . 0.0 111.714 174.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.71 -29.35 56.21 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 120.121 1.328 . . . . 0.0 114.449 -178.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -93.05 0.3 57.3 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 119.421 1.01 . . . . 0.0 112.895 176.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.41 HD12 ' CE1' ' A' ' 94' ' ' PHE . 89.3 mt -117.28 -29.56 5.84 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 126.133 1.773 . . . . 0.0 113.076 177.231 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -70.13 119.17 13.93 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.648 1.113 . . . . 0.0 112.209 175.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 77.5 41.09 21.33 Favored Glycine 0 CA--C 1.533 1.161 0 N-CA-C 115.422 0.929 . . . . 0.0 115.422 169.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.22 10.81 1.01 Allowed 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 118.639 2.829 . . . . 0.0 118.639 -168.642 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 90.3 m 65.41 129.9 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 127.243 2.217 . . . . 0.0 114.166 -178.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 6.1 tp -153.91 2.34 0.25 Allowed 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 113.399 0.889 . . . . 0.0 113.399 -176.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 34.9 t -158.08 -49.59 0.06 Allowed 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 127.994 2.517 . . . . 0.0 106.662 173.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 164.04 41.96 0.02 OUTLIER Glycine 0 CA--C 1.531 1.072 0 N-CA-C 116.408 1.323 . . . . 0.0 116.408 168.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 2.4 t -154.41 -160.64 1.1 Allowed 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 124.808 1.243 . . . . 0.0 111.002 -175.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.81 8.73 40.02 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.735 -1.228 . . . . 0.0 114.196 -170.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 3.5 t 32.77 67.55 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 128.059 2.544 . . . . 0.0 112.144 169.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.24 111.08 16.28 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 121.232 -0.918 . . . . 0.0 109.329 -178.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 78.3 t -124.4 129.67 73.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 124.773 1.229 . . . . 0.0 109.767 -168.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -145.77 165.91 27.44 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.201 0.6 . . . . 0.0 111.684 -172.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -75.44 140.86 43.15 Favored 'General case' 0 CA--C 1.547 0.849 0 O-C-N 120.793 -1.192 . . . . 0.0 108.534 169.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 7.7 m -57.03 115.05 2.39 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 118.966 0.803 . . . . 0.0 112.477 -177.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -75.24 56.58 0.82 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 127.144 2.177 . . . . 0.0 112.753 -174.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -126.0 30.2 4.42 Favored Glycine 0 CA--C 1.532 1.105 0 C-N-CA 127.077 2.275 . . . . 0.0 111.632 173.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.37 -157.54 0.07 Allowed 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 126.031 1.732 . . . . 0.0 112.092 169.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -112.27 143.86 42.64 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.976 1.71 . . . . 0.0 111.069 -177.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.168 0 C-N-CA 125.664 1.585 . . . . 0.0 112.742 -168.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 151' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.389 0 C3'-C2'-C1' 104.759 3.621 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 152' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.956 3 O4'-C1'-C2' 98.72 -5.486 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.749 3 N19-C1'-C2' 123.204 6.128 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.357 2 O4'-C1'-N19 116.01 7.81 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.4 tpt . . . . . 0 N--CA 1.483 1.205 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -87.02 140.07 29.94 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 120.727 -1.233 . . . . 0.0 112.356 176.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.469 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 96.1 m-85 -127.86 150.98 49.61 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 127.204 2.202 . . . . 0.0 108.969 -177.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -106.07 164.43 11.99 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.754 1.221 . . . . 0.0 111.469 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -147.61 137.23 22.67 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 127.309 2.244 . . . . 0.0 110.489 177.42 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.6 mp -116.44 112.42 39.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 126.557 1.943 . . . . 0.0 110.612 172.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 85.8 mt -80.17 70.86 6.88 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.632 1.973 . . . . 0.0 110.679 171.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -64.36 60.26 0.02 OUTLIER 'General case' 0 CA--C 1.561 1.379 0 C-N-CA 127.153 2.181 . . . . 0.0 114.92 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.93 160.73 19.4 Favored Glycine 0 CA--C 1.532 1.116 0 O-C-N 119.58 -1.95 . . . . 0.0 114.682 -177.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -19.73 -74.31 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 129.652 3.181 . . . . 0.0 114.716 -170.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.9 m -133.35 -12.3 2.76 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.334 1.454 . . . . 0.0 111.425 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.432 ' H ' HD22 ' A' ' 12' ' ' LEU . 2.2 pt? -89.52 -1.15 57.94 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.283 1.833 . . . . 0.0 114.504 -173.249 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -32.04 147.79 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 127.633 2.373 . . . . 0.0 116.974 -169.057 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -159.9 -165.37 16.68 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 115.947 1.139 . . . . 0.0 115.947 171.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -155.34 168.2 27.86 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.881 1.672 . . . . 0.0 111.194 178.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.5 t -162.05 -174.21 4.02 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.135 1.774 . . . . 0.0 109.698 171.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.4 p -138.72 172.66 12.54 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 125.836 1.654 . . . . 0.0 110.325 171.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.0 t -155.58 161.66 40.81 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.038 0.935 . . . . 0.0 110.611 170.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -91.64 120.31 32.3 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.943 0.897 . . . . 0.0 108.83 169.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -143.33 175.97 9.51 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.322 1.849 . . . . 0.0 112.22 -173.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.9 p -80.13 -42.27 21.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 O-C-N 121.104 -0.997 . . . . 0.0 110.853 169.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.469 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 4.0 t70 174.08 -159.34 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 131.226 3.81 . . . . 0.0 107.018 -178.381 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.06 -25.02 1.81 Allowed 'General case' 0 CA--C 1.545 0.754 0 O-C-N 120.456 -1.403 . . . . 0.0 114.232 171.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.03 1.65 3.33 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.524 1.13 . . . . 0.0 113.695 174.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.8 m -143.07 -36.79 0.37 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.563 1.545 . . . . 0.0 111.976 171.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.67 -38.71 92.16 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.786 1.234 . . . . 0.0 110.845 175.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -74.09 2.53 8.69 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 114.476 1.287 . . . . 0.0 114.476 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.99 17.0 5.12 Favored 'General case' 0 N--CA 1.464 0.261 0 O-C-N 120.416 -1.428 . . . . 0.0 111.722 174.525 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.9 t -118.37 -51.37 4.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 125.19 1.396 . . . . 0.0 110.182 178.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -62.91 -26.1 68.63 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 178.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -55.0 -32.3 61.69 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.836 1.254 . . . . 0.0 112.484 175.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -79.04 -50.91 10.32 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.227 0.611 . . . . 0.0 110.712 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -60.01 -41.26 91.77 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 124.313 1.045 . . . . 0.0 112.399 177.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.01 -48.73 80.53 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.513 0.725 . . . . 0.0 111.64 177.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -67.22 -23.05 65.69 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 177.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -79.34 -31.51 43.05 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 174.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -78.18 -32.49 50.14 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 168.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 110.34 3.7 29.15 Favored Glycine 0 CA--C 1.534 1.246 0 C-N-CA 128.819 3.104 . . . . 0.0 114.537 172.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 47.5 t -79.24 145.9 8.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 124.125 0.97 . . . . 0.0 110.839 175.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -163.1 51.78 0.17 Allowed 'General case' 0 CA--C 1.551 1.0 0 CA-C-O 122.64 1.21 . . . . 0.0 112.738 169.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.18 -149.2 4.8 Favored Glycine 0 CA--C 1.539 1.546 0 C-N-CA 125.911 1.719 . . . . 0.0 116.219 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -71.96 95.13 1.53 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.405 1.082 . . . . 0.0 111.78 -178.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 82.4 m95 -60.75 128.14 35.1 Favored 'General case' 0 C--O 1.233 0.193 0 O-C-N 120.992 -1.067 . . . . 0.0 110.206 178.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.8 161.89 36.13 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 126.007 1.723 . . . . 0.0 110.032 -170.298 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -151.54 167.39 28.21 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.064 1.346 . . . . 0.0 110.29 178.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -139.68 128.25 23.02 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 125.056 1.343 . . . . 0.0 108.416 171.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.484 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 5.9 m-20 -87.8 -2.22 58.47 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 115.087 1.514 . . . . 0.0 115.087 -174.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -106.71 -30.67 8.82 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.406 1.482 . . . . 0.0 112.358 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.2 t -111.74 2.44 17.18 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.031 0.932 . . . . 0.0 112.679 172.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.484 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 4.4 mmpt? 51.43 40.49 26.77 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 126.043 1.737 . . . . 0.0 112.817 169.337 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 52.0 m -123.92 111.08 15.62 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.012 1.325 . . . . 0.0 109.293 -170.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -66.17 162.62 19.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 122.767 1.27 . . . . 0.0 111.652 170.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 29.9 m -147.73 160.48 42.66 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 125.404 1.482 . . . . 0.0 107.432 169.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.9 p -147.01 85.04 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 124.652 1.181 . . . . 0.0 109.112 173.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 96.9 m -83.35 101.65 11.47 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 122.464 1.126 . . . . 0.0 111.358 -171.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -95.89 -27.25 15.27 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 127.056 2.142 . . . . 0.0 112.002 177.023 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -145.51 -22.83 0.12 Allowed Glycine 0 CA--C 1.531 1.087 0 N-CA-C 116.137 1.215 . . . . 0.0 116.137 -174.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.5 m -74.77 21.22 0.11 Allowed 'General case' 0 N--CA 1.486 1.352 0 CA-C-N 120.79 2.295 . . . . 0.0 113.581 170.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.471 ' CD2' ' HD1' ' A' ' 60' ' ' HIS . 82.2 t60 -59.69 -52.84 63.76 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 117.485 2.402 . . . . 0.0 117.485 -167.7 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.471 ' HD1' ' CD2' ' A' ' 59' ' ' HIS . 0.2 OUTLIER -144.13 -7.31 0.72 Allowed 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 116.766 2.136 . . . . 0.0 116.766 -169.419 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -158.11 -176.93 6.19 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.099 1.36 . . . . 0.0 111.029 175.108 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.4 m80 -68.64 32.17 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 127.777 2.431 . . . . 0.0 114.704 -176.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -54.14 -6.48 0.1 Allowed 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 128.764 2.826 . . . . 0.0 116.173 -169.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -56.11 -25.11 44.55 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.709 1.604 . . . . 0.0 115.02 171.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 27.4 ptt? -135.73 -172.52 3.12 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.333 1.053 . . . . 0.0 110.933 173.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 19.3 m80 -121.37 50.9 1.33 Allowed 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.295 1.438 . . . . 0.0 109.922 -174.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -159.5 119.69 3.06 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 128.708 2.803 . . . . 0.0 107.665 -169.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 51.21 23.16 1.53 Allowed 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 125.549 1.54 . . . . 0.0 114.931 -174.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 77.3 p -120.54 -3.56 9.86 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.131 1.772 . . . . 0.0 114.049 -169.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 3.6 m -156.7 168.56 12.19 Favored Pre-proline 0 CA--C 1.552 1.028 0 C-N-CA 129.878 3.271 . . . . 0.0 107.12 170.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -60.38 17.17 0.04 OUTLIER 'Trans proline' 0 CA--C 1.553 1.435 0 C-N-CA 125.158 3.905 . . . . 0.0 118.092 175.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 72.7 mt -43.01 -43.72 4.36 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 128.53 2.732 . . . . 0.0 115.774 -169.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.0 p30 -129.42 22.93 5.53 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.731 1.613 . . . . 0.0 112.814 174.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 73.6 m -77.06 12.35 1.45 Allowed 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 124.756 1.222 . . . . 0.0 111.893 168.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -67.23 72.42 0.11 Allowed 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 127.974 2.51 . . . . 0.0 110.993 169.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 90.5 t -51.17 129.78 10.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 C-N-CA 125.377 1.471 . . . . 0.0 110.049 172.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -89.52 152.63 21.33 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 124.097 0.959 . . . . 0.0 109.366 171.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -147.9 141.34 19.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.78 0.8 . . . . 0.0 109.864 169.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -139.88 71.88 0.43 Allowed Glycine 0 N--CA 1.469 0.871 0 N-CA-C 110.689 -0.965 . . . . 0.0 110.689 175.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 -60.96 150.98 31.64 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 126.724 2.01 . . . . 0.0 113.321 -170.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.6 tt 57.83 -48.12 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 129.773 3.229 . . . . 0.0 115.859 -175.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 161.49 -36.87 0.4 Allowed Glycine 0 CA--C 1.527 0.844 0 C-N-CA 125.683 1.611 . . . . 0.0 111.41 -179.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -158.22 78.62 0.81 Allowed 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.971 1.308 . . . . 0.0 109.576 171.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -150.39 167.11 28.04 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 175.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -160.93 82.27 0.14 Allowed Glycine 0 CA--C 1.528 0.884 0 C-N-CA 125.897 1.713 . . . . 0.0 112.516 -169.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -135.72 143.81 45.55 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.77 1.628 . . . . 0.0 108.27 168.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.2 ptmm? -79.9 -35.88 37.29 Favored 'General case' 0 C--O 1.22 -0.453 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 -175.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 42.7 m -37.68 -67.42 0.19 Allowed 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 126.234 1.813 . . . . 0.0 115.0 -169.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.79 -55.79 20.43 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.732 0.813 . . . . 0.0 109.617 -175.123 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.1 pp -64.36 -33.12 75.11 Favored 'General case' 0 C--O 1.22 -0.48 0 O-C-N 123.437 0.461 . . . . 0.0 111.504 -172.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -63.3 -49.93 72.06 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 125.271 1.428 . . . . 0.0 110.804 178.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.98 -34.69 78.31 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 118.89 -1.124 . . . . 0.0 112.296 170.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.67 -38.36 89.08 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.706 0.802 . . . . 0.0 112.598 -177.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -74.07 -61.04 1.99 Allowed 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 124.807 1.243 . . . . 0.0 110.73 175.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.27 -19.82 48.01 Favored Glycine 0 CA--C 1.545 1.944 0 N-CA-C 115.466 0.946 . . . . 0.0 115.466 -178.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -54.31 -45.77 72.66 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.805 1.642 . . . . 0.0 113.006 168.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -71.12 -42.48 69.19 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 118.527 0.603 . . . . 0.0 110.416 174.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -179.88 160.54 25.7 Favored Glycine 0 N--CA 1.475 1.265 0 CA-C-O 118.728 -1.04 . . . . 0.0 114.667 169.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.31 125.89 19.89 Favored 'Trans proline' 0 N--CA 1.46 -0.482 0 CA-C-N 120.73 2.265 . . . . 0.0 116.166 -169.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 16.3 mt -66.69 142.12 57.53 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 113.243 -1.799 . . . . 0.0 111.207 169.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? -91.53 -36.53 13.66 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.583 1.153 . . . . 0.0 110.876 169.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 28.1 m -150.56 152.12 33.64 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.84 1.256 . . . . 0.0 111.493 174.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 71.0 t -139.13 128.79 30.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 125.629 1.572 . . . . 0.0 107.219 169.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 79.1 t90 -139.99 143.94 36.73 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 124.872 1.269 . . . . 0.0 110.375 177.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 1.3 m -138.69 151.96 24.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 O-C-N 121.223 -0.923 . . . . 0.0 109.163 169.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.71 172.52 13.6 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -170.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.83 -34.49 2.38 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 114.884 1.439 . . . . 0.0 114.884 -173.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -73.88 132.61 80.04 Favored Pre-proline 0 CA--C 1.544 0.731 0 N-CA-C 105.511 -2.033 . . . . 0.0 105.511 167.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -2.74 73.61 0.0 OUTLIER 'Trans proline' 0 CA--C 1.544 1.006 1 C-N-CA 128.077 5.851 . . . . 0.0 116.99 -168.867 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -74.34 105.75 2.1 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 123.452 2.768 . . . . 0.0 113.579 -168.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -85.87 -1.09 87.24 Favored Glycine 0 CA--C 1.536 1.394 0 CA-C-N 115.647 -0.706 . . . . 0.0 113.386 169.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -148.8 177.99 9.05 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 125.651 1.581 . . . . 0.0 113.794 -169.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -149.12 175.83 11.01 Favored 'General case' 0 CA--C 1.558 1.252 0 C-N-CA 130.319 3.448 . . . . 0.0 110.389 177.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -147.4 149.12 32.12 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.899 1.28 . . . . 0.0 111.755 173.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 13.5 m -140.3 173.1 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 CA-C-O 122.345 1.069 . . . . 0.0 113.137 173.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 -146.66 145.82 30.17 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 127.305 2.242 . . . . 0.0 107.101 176.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -122.54 149.3 44.11 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.223 1.009 . . . . 0.0 111.167 -175.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -85.22 -3.84 58.95 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -176.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -144.92 126.1 7.67 Favored Pre-proline 0 CA--C 1.548 0.901 0 C-N-CA 124.681 1.192 . . . . 0.0 110.764 171.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -68.51 -23.81 36.9 Favored 'Trans proline' 0 CA--C 1.538 0.68 0 C-N-CA 123.383 2.722 . . . . 0.0 113.982 -176.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 22.2 ttp-105 -59.84 -50.31 74.28 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 120.021 1.282 . . . . 0.0 109.947 170.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -74.59 -33.2 62.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.048 -175.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.61 -46.69 86.5 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.51 0.724 . . . . 0.0 110.99 169.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.34 -45.69 79.36 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.336 0.654 . . . . 0.0 111.576 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.21 -32.67 73.05 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 118.938 0.79 . . . . 0.0 112.549 178.463 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.81 -54.75 38.04 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 121.787 -0.571 . . . . 0.0 110.105 169.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 46.6 t -52.78 -40.83 36.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.684 1.193 . . . . 0.0 112.077 174.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 23.8 ttp180 -59.25 -34.73 72.58 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 126.699 2.0 . . . . 0.0 112.762 177.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -118.85 12.82 13.03 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 124.817 1.247 . . . . 0.0 113.961 -170.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 33.7 mt -120.6 -22.35 6.41 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 114.896 1.443 . . . . 0.0 114.896 -178.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -78.17 145.15 35.78 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 120.173 1.351 . . . . 0.0 113.972 -177.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 60.14 -35.56 0.04 OUTLIER Glycine 0 CA--C 1.526 0.739 1 C-N-CA 130.857 4.075 . . . . 0.0 122.513 168.14 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 34.7 ptt180 -71.4 -37.46 71.52 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 -168.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.8 m 154.33 143.41 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 129.973 3.309 . . . . 0.0 109.947 -178.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 46.7 tp -140.25 -61.76 0.51 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.673 1.189 . . . . 0.0 108.095 167.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 91.9 m -87.64 -23.73 24.15 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 169.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 152.24 0.25 0.25 Allowed Glycine 0 CA--C 1.541 1.665 0 N-CA-C 117.686 1.834 . . . . 0.0 117.686 175.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 10.5 t -152.89 -160.85 1.19 Allowed 'General case' 0 CA--C 1.554 1.118 0 CA-C-N 119.437 1.618 . . . . 0.0 110.936 -176.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -63.6 79.38 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 127.039 2.136 . . . . 0.0 113.037 -176.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 2.1 p -67.15 127.37 28.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 126.883 2.073 . . . . 0.0 107.497 169.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 56.8 mtt85 -99.2 140.61 33.11 Favored 'General case' 0 CA--C 1.513 -0.463 0 O-C-N 121.433 -0.792 . . . . 0.0 109.027 170.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 69.8 t -145.31 118.23 2.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 169.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -139.3 -160.16 1.03 Allowed 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.869 1.268 . . . . 0.0 108.764 -176.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -151.72 145.69 25.21 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 119.778 -1.826 . . . . 0.0 114.911 169.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 6.6 t 21.67 45.94 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 131.434 3.893 . . . . 0.0 119.156 168.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -132.77 80.34 1.89 Allowed 'General case' 0 CA--C 1.545 0.755 0 O-C-N 120.301 -1.499 . . . . 0.0 112.906 -176.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -177.54 36.08 0.08 OUTLIER Glycine 0 CA--C 1.532 1.14 0 C-N-CA 125.61 1.576 . . . . 0.0 112.126 169.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 88.56 -142.3 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 129.173 2.989 . . . . 0.0 107.68 -167.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . 0.322 1.1 mptt 58.79 36.69 24.89 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 127.151 2.18 . . . . 0.0 114.192 171.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.113 1 C-N-CA 131.839 4.055 . . . . 0.0 114.553 168.344 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 151' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.135 1 C3'-C2'-C1' 105.29 4.211 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 152' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.998 3 O4'-C1'-N19 112.935 4.735 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.889 1 N19-C1'-C2' 121.686 5.179 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.365 3 O4'-C1'-N19 115.577 7.377 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.8 tpt . . . . . 0 N--CA 1.484 1.273 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -84.63 141.35 30.71 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 119.924 1.238 . . . . 0.0 111.399 174.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.456 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 80.5 m-85 -126.02 154.63 42.7 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 127.209 2.203 . . . . 0.0 108.472 -179.616 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -106.67 163.74 12.66 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.596 1.158 . . . . 0.0 111.167 178.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.4 tp -143.96 139.19 28.96 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 127.114 2.166 . . . . 0.0 109.663 172.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.6 mp -117.37 110.13 30.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 125.71 1.604 . . . . 0.0 108.725 173.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 54.1 mt -79.54 73.26 6.22 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.304 1.042 . . . . 0.0 109.234 169.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -63.29 51.17 0.02 OUTLIER 'General case' 0 CA--C 1.56 1.346 0 C-N-CA 125.917 1.687 . . . . 0.0 113.432 173.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -79.45 70.91 2.75 Favored Glycine 0 C--N 1.335 0.494 0 O-C-N 119.435 -2.041 . . . . 0.0 113.083 -177.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 31.98 -92.14 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 129.114 2.966 . . . . 0.0 114.383 176.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 32.3 p -81.96 -20.85 37.72 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 114.869 1.433 . . . . 0.0 114.869 -175.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.07 -41.59 6.38 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 119.897 1.226 . . . . 0.0 113.438 -169.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 15.56 155.06 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.91 2 C-N-CA 134.518 5.127 . . . . 0.0 122.129 -169.034 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.83 -163.06 21.09 Favored Glycine 0 CA--C 1.533 1.203 0 N-CA-C 116.456 1.342 . . . . 0.0 116.456 169.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -160.24 162.71 33.76 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 126.536 1.934 . . . . 0.0 111.994 178.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.8 t -158.72 -174.43 4.77 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.56 1.944 . . . . 0.0 110.443 174.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.7 p -142.07 172.71 12.32 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.65 1.58 . . . . 0.0 110.926 173.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.0 t -160.99 151.02 17.46 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.75 0.82 . . . . 0.0 111.612 173.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.8 tp10 -75.27 121.87 22.83 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 106.674 -1.602 . . . . 0.0 106.674 166.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -138.59 176.12 8.97 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.854 1.662 . . . . 0.0 111.996 176.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.3 p -85.5 -32.53 7.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 O-C-N 121.375 -0.828 . . . . 0.0 112.496 169.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.456 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 1.6 t70 169.04 -159.0 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.051 1 C-N-CA 131.823 4.049 . . . . 0.0 107.657 176.439 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.97 -22.92 1.73 Allowed 'General case' 0 CA--C 1.547 0.839 0 O-C-N 120.599 -1.313 . . . . 0.0 114.064 169.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.84 -5.36 16.2 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.549 1.14 . . . . 0.0 113.729 174.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.5 m -136.6 -36.47 0.7 Allowed 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.754 1.621 . . . . 0.0 112.36 173.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.49 -38.43 90.98 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.866 1.267 . . . . 0.0 110.902 176.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -74.38 3.64 7.12 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 178.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.407 ' HE3' HG22 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -133.04 18.44 4.11 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 120.307 -1.496 . . . . 0.0 111.828 174.912 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.407 HG22 ' HE3' ' A' ' 28' ' ' LYS . 3.9 t -120.34 -51.39 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 125.202 1.401 . . . . 0.0 110.039 178.021 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -61.81 -27.67 68.93 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 177.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -54.53 -30.56 54.1 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.239 1.416 . . . . 0.0 113.057 176.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -80.61 -50.47 9.93 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.552 0.741 . . . . 0.0 110.582 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -62.18 -42.04 98.9 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 124.261 1.024 . . . . 0.0 112.531 178.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.15 -49.57 76.52 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 123.802 0.841 . . . . 0.0 112.021 178.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -69.95 -17.79 63.33 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 178.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -82.49 -30.87 29.61 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 119.161 0.891 . . . . 0.0 113.159 173.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -78.42 -33.15 48.81 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 168.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.11 5.35 23.4 Favored Glycine 0 CA--C 1.533 1.217 0 C-N-CA 128.388 2.899 . . . . 0.0 114.774 170.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.5 t -78.77 146.64 7.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 124.035 0.934 . . . . 0.0 111.216 175.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -163.27 52.66 0.17 Allowed 'General case' 0 CA--C 1.548 0.895 0 CA-C-O 122.39 1.091 . . . . 0.0 112.032 169.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.64 -148.53 4.84 Favored Glycine 0 CA--C 1.541 1.664 0 C-N-CA 125.812 1.672 . . . . 0.0 115.568 177.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -69.11 88.64 0.42 Allowed 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.353 1.861 . . . . 0.0 112.613 176.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 80.8 m95 -57.08 122.79 13.2 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 124.246 1.018 . . . . 0.0 110.138 175.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.07 164.08 28.45 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 126.651 1.98 . . . . 0.0 110.563 -170.117 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -151.91 156.95 41.12 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.949 1.3 . . . . 0.0 110.392 176.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -129.12 122.57 30.16 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 125.412 1.485 . . . . 0.0 107.934 171.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.429 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.7 OUTLIER -84.31 -8.4 59.02 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 -173.838 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -99.64 -29.07 12.88 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.257 1.423 . . . . 0.0 112.022 -177.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.0 t -112.97 2.86 15.94 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.419 0.688 . . . . 0.0 112.794 171.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.429 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 4.3 mmpt? 54.36 40.2 31.56 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.048 1.739 . . . . 0.0 112.431 169.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 58.1 m -123.46 108.07 12.27 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 124.914 1.285 . . . . 0.0 109.719 -169.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -62.92 161.51 12.77 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 122.507 1.146 . . . . 0.0 110.762 168.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 21.5 m -147.01 161.21 41.27 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 169.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.7 p -149.68 77.84 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 C-N-CA 125.253 1.421 . . . . 0.0 108.61 172.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 91.1 m -76.89 116.94 18.01 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.861 -176.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.24 59.69 1.82 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.398 -1.439 . . . . 0.0 110.755 169.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -66.33 -47.26 72.41 Favored Glycine 0 CA--C 1.528 0.88 0 C-N-CA 125.387 1.47 . . . . 0.0 112.663 -172.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 38.9 p -171.54 33.72 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.77 2.028 . . . . 0.0 110.903 -175.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 48.6 m80 -122.63 -4.36 8.73 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 116.59 2.071 . . . . 0.0 116.59 -167.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -136.92 -44.52 0.58 Allowed 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 119.911 1.232 . . . . 0.0 113.606 171.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 19.5 p-80 -78.05 18.98 0.45 Allowed 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.398 1.479 . . . . 0.0 113.995 173.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -136.72 141.91 43.07 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 126.362 1.865 . . . . 0.0 111.034 -177.324 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -159.85 152.22 20.95 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.731 1.613 . . . . 0.0 111.047 169.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -153.4 150.84 29.26 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.989 1.716 . . . . 0.0 110.361 173.508 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 22.8 mmt -123.35 -6.11 8.24 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 115.296 1.591 . . . . 0.0 115.296 -168.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -141.99 -6.15 0.98 Allowed 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.18 0.992 . . . . 0.0 113.474 -171.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.3 mmm180 -138.51 125.97 21.87 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.962 1.305 . . . . 0.0 110.123 -170.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.5 p-10 -84.92 58.03 4.76 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.439 1.496 . . . . 0.0 111.647 175.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.6 m -59.83 86.75 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 127.477 2.311 . . . . 0.0 113.26 -176.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 99.6 m -63.73 154.38 80.69 Favored Pre-proline 0 CA--C 1.555 1.172 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 -175.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -59.1 29.95 0.04 OUTLIER 'Trans proline' 0 CA--C 1.554 1.511 1 C-N-CA 126.901 5.067 . . . . 0.0 118.607 173.547 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.8 pp -140.39 158.1 44.52 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.027 1.731 . . . . 0.0 111.901 -176.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -69.72 154.83 41.43 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 123.842 0.857 . . . . 0.0 112.823 -174.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 28.0 p -111.68 8.9 20.93 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.122 1.769 . . . . 0.0 113.193 178.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 42.6 mttp -61.97 135.68 57.65 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.006 0.922 . . . . 0.0 110.442 168.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 39.8 t -127.38 139.5 51.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.849 1.26 . . . . 0.0 110.044 -175.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -91.85 148.77 21.98 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 126.62 1.968 . . . . 0.0 110.352 170.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -152.45 150.12 13.11 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 CA-C-O 122.276 1.036 . . . . 0.0 113.393 172.41 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -141.02 155.82 25.22 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 125.863 1.697 . . . . 0.0 111.193 168.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -143.93 -168.2 2.79 Favored 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -167.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.0 tt -38.59 -57.91 1.11 Allowed 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 126.389 1.876 . . . . 0.0 112.975 -174.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 136.78 145.97 5.08 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 125.539 1.542 . . . . 0.0 112.878 173.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 42.79 44.24 3.75 Favored 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 126.118 1.767 . . . . 0.0 113.867 -176.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -135.51 6.88 3.28 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 125.691 1.596 . . . . 0.0 113.626 -176.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -42.83 89.3 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 C-N-CA 129.223 3.297 . . . . 0.0 116.142 -174.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -142.72 134.81 27.26 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.561 1.944 . . . . 0.0 108.201 170.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.0 ptmm? -62.48 -26.71 68.68 Favored 'General case' 0 C--O 1.22 -0.491 0 N-CA-C 115.184 1.55 . . . . 0.0 115.184 -176.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 83.0 m -46.72 -54.64 9.25 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 115.488 1.662 . . . . 0.0 115.488 -169.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -72.25 -48.93 38.96 Favored 'General case' 0 CA--C 1.531 0.242 0 O-C-N 121.344 -0.847 . . . . 0.0 111.69 -177.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.0 pp -62.22 -33.58 74.84 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.425 -0.797 . . . . 0.0 111.877 178.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -62.82 -45.69 91.46 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 125.578 1.551 . . . . 0.0 112.504 176.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.08 -41.81 94.68 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 119.527 1.058 . . . . 0.0 111.061 170.252 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.99 -43.31 99.04 Favored 'General case' 0 C--O 1.223 -0.334 0 C-N-CA 123.713 0.805 . . . . 0.0 111.705 -176.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.475 ' CD2' HG22 ' A' ' 115' ' ' VAL . 13.8 m-85 -68.28 -63.97 0.95 Allowed 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 125.643 1.577 . . . . 0.0 112.051 173.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.93 -18.43 47.15 Favored Glycine 0 CA--C 1.545 1.945 0 N-CA-C 115.248 0.859 . . . . 0.0 115.248 -174.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -54.85 -51.8 64.79 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.276 1.831 . . . . 0.0 112.861 168.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -68.03 -41.05 82.72 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.376 0.671 . . . . 0.0 111.052 177.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -170.75 156.88 27.54 Favored Glycine 0 N--CA 1.473 1.126 0 CA-C-O 118.374 -1.237 . . . . 0.0 113.338 170.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -63.05 146.49 94.59 Favored 'Trans proline' 0 CA--C 1.536 0.603 0 CA-C-N 121.134 2.467 . . . . 0.0 113.632 -169.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 14.9 mt -92.09 164.62 13.53 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.432 1.893 . . . . 0.0 112.056 -177.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 30.5 mtm105 -127.01 -21.26 4.01 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.924 1.29 . . . . 0.0 113.773 169.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 16.2 m -154.36 148.42 25.76 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.398 1.479 . . . . 0.0 110.792 169.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 17.5 t -144.23 130.76 16.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 125.365 1.466 . . . . 0.0 107.758 175.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 70.2 t90 -139.97 139.1 36.0 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 124.544 1.137 . . . . 0.0 110.297 -170.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.3 m -135.98 144.52 33.15 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 169.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.1 157.37 29.52 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 -168.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 35.6 ptt85 -88.97 4.71 47.23 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 125.758 1.623 . . . . 0.0 114.73 -175.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -146.06 163.46 30.49 Favored Pre-proline 0 CA--C 1.561 1.389 0 C-N-CA 128.753 2.821 . . . . 0.0 107.322 174.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . 0.273 0.1 OUTLIER 30.54 61.95 0.0 OUTLIER 'Trans proline' 0 CA--C 1.549 1.239 0 C-N-CA 123.935 3.09 . . . . 0.0 117.27 -167.048 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -73.63 60.61 4.31 Favored 'Trans proline' 0 CA--C 1.547 1.154 1 C-N-CA 125.625 4.217 . . . . 0.0 113.863 -173.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -133.06 11.57 5.08 Favored Glycine 0 CA--C 1.539 1.587 0 C-N-CA 125.941 1.734 . . . . 0.0 112.797 169.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -147.27 154.62 41.2 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 128.2 2.6 . . . . 0.0 107.998 -169.635 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -165.58 176.78 7.84 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.85 1.26 . . . . 0.0 114.397 -166.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -147.54 170.79 16.7 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 177.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.475 HG22 ' CD2' ' A' ' 94' ' ' PHE . 1.5 t -158.05 164.95 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 C-N-CA 126.457 1.903 . . . . 0.0 112.676 -170.522 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -146.93 123.57 11.15 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 126.58 1.952 . . . . 0.0 108.872 165.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -89.64 169.63 11.16 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 113.966 1.098 . . . . 0.0 113.966 -176.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -57.78 -42.29 83.78 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 120.926 -1.108 . . . . 0.0 111.609 169.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -140.71 138.72 18.78 Favored Pre-proline 0 CA--C 1.55 0.966 0 C-N-CA 123.755 0.822 . . . . 0.0 112.959 -170.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_exo -53.31 -35.14 73.45 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 124.605 3.536 . . . . 0.0 115.467 175.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 3.2 ttp85 -62.82 -40.8 98.52 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 119.292 0.951 . . . . 0.0 111.228 175.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -74.3 -37.56 63.62 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 118.72 -0.657 . . . . 0.0 111.948 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.43 -45.77 90.61 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.029 0.831 . . . . 0.0 111.823 169.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.58 -45.33 87.46 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.388 0.675 . . . . 0.0 112.054 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -70.13 -33.51 71.92 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.191 0.996 . . . . 0.0 112.699 178.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.27 -54.02 39.86 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.309 0.644 . . . . 0.0 110.276 169.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 39.5 t -49.59 -48.51 20.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 124.449 1.1 . . . . 0.0 111.458 173.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 54.9 ttp85 -57.35 -40.01 77.14 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.749 1.62 . . . . 0.0 113.238 -179.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -102.96 -14.23 16.58 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -173.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 45.0 mt -86.79 -42.25 13.45 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 125.422 1.489 . . . . 0.0 112.986 172.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -61.6 137.42 58.24 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -169.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 63.23 6.57 14.49 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 125.603 1.573 . . . . 0.0 116.319 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 4.7 mmt-85 -84.23 -77.97 0.25 Allowed 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 119.723 1.761 . . . . 0.0 112.437 -176.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.7 m 164.79 145.41 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 130.096 3.359 . . . . 0.0 109.95 177.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 14.2 mt -158.2 145.34 17.92 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 128.925 2.89 . . . . 0.0 105.126 168.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . 0.259 34.2 m 65.53 -48.55 0.38 Allowed 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 126.62 1.968 . . . . 0.0 111.978 -168.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 126.27 56.78 0.15 Allowed Glycine 0 C--N 1.347 1.16 0 N-CA-C 118.989 2.355 . . . . 0.0 118.989 166.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 49.0 t -154.7 -50.02 0.09 Allowed 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.687 0.795 . . . . 0.0 110.222 169.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.8 163.98 31.77 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 127.566 2.346 . . . . 0.0 109.897 174.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 3.5 p -143.43 149.82 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 124.334 1.054 . . . . 0.0 111.264 171.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.67 134.29 52.93 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 126.909 2.084 . . . . 0.0 105.83 168.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 97.5 t -145.45 129.12 11.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 170.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -142.23 169.54 17.39 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 119.781 1.173 . . . . 0.0 111.772 -178.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -79.41 134.01 36.56 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 120.427 -1.42 . . . . 0.0 108.235 169.351 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 8.0 m -53.9 114.97 1.77 Allowed 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.01 0.924 . . . . 0.0 112.882 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 29.7 m-80 -140.94 -57.8 0.51 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.965 1.706 . . . . 0.0 111.375 -178.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 150.41 167.3 14.3 Favored Glycine 0 CA--C 1.538 1.515 0 N-CA-C 115.659 1.024 . . . . 0.0 115.659 172.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 57.28 167.87 0.04 OUTLIER 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 128.884 2.874 . . . . 0.0 116.451 177.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.49 113.79 23.29 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 126.093 1.757 . . . . 0.0 109.931 171.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.254 1.331 0 C-N-CA 126.688 1.995 . . . . 0.0 112.233 -169.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 151' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.167 2 C3'-C2'-C1' 105.912 4.902 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 152' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.07 2 P-O3'-C3' 126.448 5.624 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.741 2 N19-C1'-C2' 124.036 6.647 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.889 2 P-O3'-C3' 127.708 6.673 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.273 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -89.45 141.85 28.19 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 120.692 -1.255 . . . . 0.0 112.591 -173.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -122.46 150.59 42.29 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 127.198 2.199 . . . . 0.0 108.614 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -100.82 163.38 12.34 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.265 1.026 . . . . 0.0 111.275 177.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -144.6 137.39 26.69 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 127.218 2.207 . . . . 0.0 109.594 174.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.3 mp -115.44 111.49 35.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 126.22 1.808 . . . . 0.0 108.736 172.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 89.9 mt -79.52 74.5 6.16 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 124.507 1.123 . . . . 0.0 108.255 169.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -61.97 50.51 0.01 OUTLIER 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 126.453 1.901 . . . . 0.0 113.702 174.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -78.52 54.2 4.02 Favored Glycine 0 C--O 1.225 -0.406 0 O-C-N 119.148 -2.22 . . . . 0.0 114.014 178.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.5 pttt 44.86 -47.46 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.96 1 C-N-CA 131.858 4.063 . . . . 0.0 120.903 168.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.7 m -124.48 -30.92 3.31 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 128.14 2.576 . . . . 0.0 110.62 -173.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.42 -3.78 17.92 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.931 1.692 . . . . 0.0 114.198 -175.367 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -34.35 149.97 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 118.073 2.62 . . . . 0.0 118.073 -167.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -157.25 -161.31 10.74 Favored Glycine 0 CA--C 1.532 1.099 0 N-CA-C 116.963 1.545 . . . . 0.0 116.963 169.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -150.05 165.56 32.37 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 125.261 1.425 . . . . 0.0 112.216 -174.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.8 t -162.15 -175.6 4.68 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 126.254 1.822 . . . . 0.0 110.614 169.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 74.6 p -140.08 169.45 17.67 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 126.005 1.722 . . . . 0.0 110.691 172.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.5 t -155.67 142.7 19.11 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.316 -0.865 . . . . 0.0 111.033 177.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -76.28 108.32 9.14 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 169.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.77 174.19 10.39 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.281 1.432 . . . . 0.0 113.569 -176.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 84.2 t -81.05 -47.3 20.24 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 O-C-N 121.288 -0.882 . . . . 0.0 110.548 169.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.8 t70 178.88 -156.92 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 130.626 3.57 . . . . 0.0 106.405 178.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.43 -19.78 1.53 Allowed 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 120.917 1.69 . . . . 0.0 114.658 170.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.0 -8.85 25.34 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.336 1.054 . . . . 0.0 113.488 172.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 43.2 m -138.99 -36.25 0.54 Allowed 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 126.425 1.89 . . . . 0.0 112.054 -179.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.7 -36.85 73.46 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.26 1.424 . . . . 0.0 111.076 177.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -76.1 4.76 7.86 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 120.522 -1.361 . . . . 0.0 114.422 179.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.63 20.29 3.33 Favored 'General case' 0 N--CA 1.463 0.223 0 O-C-N 120.441 -1.412 . . . . 0.0 111.811 176.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.3 p -125.12 -40.24 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 124.297 1.039 . . . . 0.0 112.216 176.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -68.85 -27.5 65.88 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 124.381 1.072 . . . . 0.0 113.053 173.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -55.41 -31.61 61.99 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.096 1.358 . . . . 0.0 113.068 176.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -79.42 -49.91 11.62 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.054 0.942 . . . . 0.0 110.671 179.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -61.54 -41.8 97.88 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.66 1.184 . . . . 0.0 112.552 178.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.07 -49.64 76.22 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 123.982 0.913 . . . . 0.0 111.645 177.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -67.99 -19.38 64.93 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 177.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -82.95 -29.57 28.98 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 119.176 0.898 . . . . 0.0 113.241 173.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 54.3 m-80 -78.94 -33.89 44.97 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 168.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.0 4.21 24.33 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 128.728 3.061 . . . . 0.0 114.54 171.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 39.3 t -80.5 145.58 8.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.011 0.924 . . . . 0.0 110.645 174.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -162.56 52.09 0.19 Allowed 'General case' 0 CA--C 1.552 1.044 0 CA-C-O 122.51 1.148 . . . . 0.0 112.425 169.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.88 -147.48 3.1 Favored Glycine 0 CA--C 1.545 1.916 0 C-N-CA 126.16 1.838 . . . . 0.0 116.282 177.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -72.63 98.5 2.36 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.739 1.215 . . . . 0.0 112.491 -178.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 85.1 m95 -64.04 121.06 13.23 Favored 'General case' 0 N--CA 1.466 0.332 0 O-C-N 120.294 -1.504 . . . . 0.0 110.337 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.33 161.66 31.85 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 126.858 2.063 . . . . 0.0 110.458 -172.255 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -156.59 165.84 35.13 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.617 1.167 . . . . 0.0 111.403 -178.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -137.56 158.9 43.39 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 126.218 1.807 . . . . 0.0 110.825 -178.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.412 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.3 OUTLIER -127.77 30.5 5.29 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 -179.225 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -131.51 -33.43 1.45 Allowed 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.558 1.943 . . . . 0.0 112.619 176.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.6 t -122.24 -3.47 8.98 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 127.595 2.358 . . . . 0.0 112.585 172.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.412 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 3.2 mmpt? 56.98 46.04 20.14 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.581 1.552 . . . . 0.0 112.688 168.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 53.4 m -120.64 110.13 16.05 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 125.803 1.641 . . . . 0.0 109.616 -170.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -64.44 161.99 16.02 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.083 0.953 . . . . 0.0 111.47 169.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 22.5 m -147.15 159.88 43.1 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 125.43 1.492 . . . . 0.0 108.278 170.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.6 p -149.84 82.64 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 C-N-CA 124.609 1.164 . . . . 0.0 111.189 174.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 33.1 m -80.6 108.99 14.7 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.578 0.751 . . . . 0.0 112.075 -174.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.68 140.09 58.83 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.603 0.761 . . . . 0.0 110.697 171.317 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -144.55 18.41 2.04 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 124.943 1.259 . . . . 0.0 114.892 -171.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 43.9 m -72.98 36.88 0.08 Allowed 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 126.454 1.902 . . . . 0.0 113.624 175.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.494 ' CG ' ' H ' ' A' ' 60' ' ' HIS 0.278 0.0 OUTLIER 32.78 -115.66 0.06 Allowed 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 128.317 2.647 . . . . 0.0 114.717 -175.278 . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.494 ' H ' ' CG ' ' A' ' 59' ' ' HIS . 22.7 m80 -63.18 -22.91 67.17 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.495 1.918 . . . . 0.0 115.882 -173.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 37.1 m170 -67.63 126.63 29.95 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.775 0.83 . . . . 0.0 112.488 -169.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -135.05 -91.74 0.31 Allowed 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.38 1.072 . . . . 0.0 110.672 177.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 19.1 m170 -110.98 -5.48 14.83 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.653 1.581 . . . . 0.0 111.528 172.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 45.7 t60 -151.74 178.46 9.34 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 129.216 3.006 . . . . 0.0 108.079 169.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 25.4 ttt -62.86 -41.45 99.37 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.162 -0.961 . . . . 0.0 113.026 179.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -164.5 157.3 17.04 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.768 1.627 . . . . 0.0 111.084 173.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.11 168.31 21.93 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 126.878 2.071 . . . . 0.0 109.988 169.012 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -70.88 -45.28 64.67 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.794 1.238 . . . . 0.0 112.294 169.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.7 m -161.82 -174.71 4.3 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 128.056 2.542 . . . . 0.0 110.297 174.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 61.5 m -51.62 -40.99 74.88 Favored Pre-proline 0 CA--C 1.555 1.159 0 N-CA-C 117.671 2.471 . . . . 0.0 117.671 179.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -69.63 171.03 15.06 Favored 'Trans proline' 0 C--N 1.357 1.001 0 C-N-CA 122.347 2.031 . . . . 0.0 113.219 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.4 mp -59.11 -25.83 64.16 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.347 1.059 . . . . 0.0 112.83 178.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -158.44 151.51 22.68 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.577 1.951 . . . . 0.0 109.588 169.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 5.5 t -129.84 10.5 5.52 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.058 1.343 . . . . 0.0 112.946 178.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.0 mtmm -109.82 -176.97 3.14 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.571 1.548 . . . . 0.0 112.544 -170.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 6.7 t -133.44 157.34 42.46 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 C-N-CA 127.906 2.482 . . . . 0.0 109.501 -170.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -126.14 146.27 50.01 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 127.567 2.347 . . . . 0.0 110.405 -176.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.0 p -145.78 138.78 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-O 122.239 1.019 . . . . 0.0 111.561 169.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -151.21 -160.49 9.47 Favored Glycine 0 N--CA 1.467 0.705 0 C-N-CA 123.739 0.685 . . . . 0.0 112.65 169.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 13.3 m-20 53.29 43.76 31.04 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.564 1.145 . . . . 0.0 111.882 -169.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.6 tp -103.16 11.35 37.13 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 126.948 2.099 . . . . 0.0 111.895 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 79.93 -60.98 4.38 Favored Glycine 0 CA--C 1.528 0.878 0 C-N-CA 126.382 1.944 . . . . 0.0 114.042 171.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -158.25 -31.66 0.07 Allowed 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 114.829 1.418 . . . . 0.0 114.829 -178.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -65.69 153.15 42.5 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 120.526 1.512 . . . . 0.0 113.576 -170.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -161.96 50.69 0.33 Allowed Glycine 0 N--CA 1.47 0.942 0 C-N-CA 126.2 1.857 . . . . 0.0 111.46 -175.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -129.21 13.32 6.14 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.991 1.716 . . . . 0.0 113.045 -171.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.279 9.7 ptmm? 49.38 -21.31 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 131.547 3.939 . . . . 0.0 120.276 -177.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 82.8 m -49.67 -59.14 4.07 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 121.817 2.099 . . . . 0.0 113.935 -170.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.27 -55.52 17.95 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 -175.06 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.3 pp -63.22 -34.39 77.54 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 123.432 0.458 . . . . 0.0 112.052 -174.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -65.03 -47.86 75.91 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 124.053 0.941 . . . . 0.0 111.311 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.84 -32.07 70.28 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 119.585 -0.846 . . . . 0.0 112.391 172.467 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.51 -44.3 96.7 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.819 0.848 . . . . 0.0 111.466 178.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -64.14 -66.47 0.54 Allowed 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 125.404 1.482 . . . . 0.0 111.277 172.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -52.87 -24.47 19.61 Favored Glycine 0 CA--C 1.547 2.08 0 N-CA-C 116.363 1.305 . . . . 0.0 116.363 -178.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -55.47 -51.49 66.77 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 126.208 1.803 . . . . 0.0 113.614 169.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -68.47 -42.01 79.32 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.141 0.576 . . . . 0.0 110.959 178.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -167.25 161.01 34.84 Favored Glycine 0 N--CA 1.473 1.163 0 CA-C-O 118.38 -1.233 . . . . 0.0 113.633 175.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -71.18 131.82 19.94 Favored 'Trans proline' 0 CA--C 1.533 0.463 0 CA-C-N 121.666 2.733 . . . . 0.0 113.58 -170.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 21.9 mt -71.37 162.17 29.87 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.401 1.88 . . . . 0.0 113.115 175.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 28.6 ttp180 -121.67 -29.03 4.44 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 126.116 1.766 . . . . 0.0 111.95 169.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.9 m -157.71 156.86 32.42 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.966 1.306 . . . . 0.0 111.907 169.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 83.6 t -142.62 138.27 28.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 125.613 1.565 . . . . 0.0 108.515 172.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 91.3 t90 -137.01 149.72 47.66 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 125.336 1.454 . . . . 0.0 110.582 178.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 14.3 m -143.79 155.46 15.99 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 C-N-CA 125.124 1.37 . . . . 0.0 108.627 174.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.83 45.07 0.58 Allowed 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 115.73 1.752 . . . . 0.0 115.73 -169.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 49.89 -21.46 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.504 1 C-N-CA 131.97 4.108 . . . . 0.0 121.367 171.648 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -150.52 128.0 5.61 Favored Pre-proline 0 CA--C 1.547 0.845 0 C-N-CA 126.146 1.778 . . . . 0.0 108.719 -175.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . 0.273 0.4 OUTLIER -15.7 81.18 0.0 OUTLIER 'Trans proline' 0 CA--C 1.549 1.272 1 C-N-CA 127.91 5.74 . . . . 0.0 119.798 -168.454 . . . . . . . . 4 3 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -99.51 -32.37 0.03 OUTLIER 'Trans proline' 0 CA--C 1.543 0.957 0 C-N-CA 124.515 3.477 . . . . 0.0 114.475 -175.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 67.96 28.78 73.34 Favored Glycine 0 CA--C 1.541 1.703 0 C-N-CA 124.693 1.14 . . . . 0.0 113.158 -169.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -158.69 144.63 16.77 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 127.442 2.297 . . . . 0.0 109.858 -168.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -165.87 176.47 7.86 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 124.789 1.235 . . . . 0.0 113.767 -168.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -137.33 167.52 21.43 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 124.023 0.929 . . . . 0.0 112.925 174.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -156.69 158.27 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 C-N-CA 124.952 1.301 . . . . 0.0 111.648 -168.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 65.2 tt0 -144.24 134.14 23.9 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.699 1.6 . . . . 0.0 108.689 168.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -104.21 162.92 12.78 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.903 0.881 . . . . 0.0 112.1 176.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -61.33 -27.12 68.27 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 177.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -140.77 128.02 12.1 Favored Pre-proline 0 CA--C 1.546 0.805 0 C-N-CA 126.302 1.841 . . . . 0.0 108.768 -177.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -49.67 -26.03 12.34 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 C-N-CA 123.891 3.061 . . . . 0.0 114.974 170.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -75.86 -30.25 58.83 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.469 1.107 . . . . 0.0 112.874 172.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -68.68 -44.99 72.85 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 119.518 1.054 . . . . 0.0 109.914 168.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.24 -43.82 83.3 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 171.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.04 -48.22 82.39 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.793 0.724 . . . . 0.0 112.173 -179.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.7 -30.69 63.01 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 119.483 1.038 . . . . 0.0 112.916 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.37 -50.75 70.33 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.772 -0.58 . . . . 0.0 111.221 170.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 53.2 t -55.12 -44.28 73.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 125.257 1.423 . . . . 0.0 110.868 171.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 44.0 ttp85 -60.61 -31.1 70.28 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.207 1.403 . . . . 0.0 113.188 -178.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -103.39 -22.14 13.71 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 115.097 1.517 . . . . 0.0 115.097 177.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 47.9 mt -81.68 -42.46 19.9 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 119.254 0.934 . . . . 0.0 112.619 175.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -62.2 116.92 5.39 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 -169.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 72.98 45.46 32.51 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 126.097 1.808 . . . . 0.0 115.044 176.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -118.45 -68.47 0.91 Allowed 'General case' 0 N--CA 1.488 1.439 0 CA-C-N 119.549 1.675 . . . . 0.0 114.475 -173.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 7.7 m 147.48 139.6 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.308 1 C-N-CA 132.53 4.332 . . . . 0.0 108.526 -175.342 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 2.1 tp -169.47 145.71 3.26 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 104.06 -2.571 . . . . 0.0 104.06 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 52.5 t 59.34 -62.88 0.04 OUTLIER 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 127.222 2.209 . . . . 0.0 111.703 -167.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 162.14 42.75 0.02 OUTLIER Glycine 0 CA--C 1.529 0.933 0 C-N-CA 125.333 1.444 . . . . 0.0 113.948 169.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 26.8 t -125.02 -104.0 0.36 Allowed 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.992 1.317 . . . . 0.0 109.834 -175.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -143.44 -23.3 0.6 Allowed 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 115.982 1.845 . . . . 0.0 115.982 169.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . 0.287 0.3 OUTLIER 55.74 111.66 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 C-N-CA 130.43 3.492 . . . . 0.0 111.909 -179.732 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.43 139.66 50.6 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 106.488 -1.671 . . . . 0.0 106.488 175.158 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 54.6 t -141.45 136.42 32.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 C-N-CA 122.912 0.485 . . . . 0.0 109.749 -168.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -139.79 176.92 8.33 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.092 0.957 . . . . 0.0 111.108 -178.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 58.9 mt -82.98 143.53 30.59 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 120.564 -1.335 . . . . 0.0 108.407 167.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 44.7 t -57.67 112.11 1.35 Allowed 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.193 0.997 . . . . 0.0 110.033 175.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -144.79 -2.05 0.85 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.316 1.446 . . . . 0.0 111.899 -172.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -100.62 -6.86 52.24 Favored Glycine 0 CA--C 1.535 1.312 0 C-N-CA 125.065 1.317 . . . . 0.0 113.651 173.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -54.34 145.94 16.8 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 118.624 1.212 . . . . 0.0 111.196 169.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 23.2 mtmm 100.77 58.21 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 129.691 3.197 . . . . 0.0 111.853 172.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.115 0 C-N-CA 127.23 2.212 . . . . 0.0 112.344 -176.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 151' ' ' ' C' . . . . . 0.464 HO2' ' P ' ' B' ' 152' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.544 2.627 1 C2'-C3'-O3' 124.127 4.688 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 152' ' ' ' A' . . . . . 0.464 ' P ' HO2' ' B' ' 151' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.426 2 P-O3'-C3' 127.368 6.39 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.05 1 N19-C1'-C2' 124.693 7.058 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.435 1 O4'-C1'-N19 113.845 5.645 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.484 1.244 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -87.85 138.58 31.34 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 120.752 -1.218 . . . . 0.0 111.543 176.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -125.82 156.39 39.62 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 127.183 2.193 . . . . 0.0 108.771 -177.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -111.26 161.94 15.5 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.787 1.235 . . . . 0.0 111.703 -177.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -147.44 135.79 21.64 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.338 1.855 . . . . 0.0 110.731 176.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mp -116.09 122.95 70.74 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 C-N-CA 126.232 1.813 . . . . 0.0 111.467 175.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.4 mp -97.99 58.22 1.34 Allowed 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 128.935 2.894 . . . . 0.0 110.877 -177.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -64.47 104.12 0.75 Allowed 'General case' 0 CA--C 1.545 0.768 0 O-C-N 120.59 -1.319 . . . . 0.0 112.715 -176.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -159.25 138.86 5.86 Favored Glycine 0 N--CA 1.47 0.961 0 O-C-N 121.189 -0.945 . . . . 0.0 112.76 173.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -50.87 -38.17 47.74 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.371 1.468 . . . . 0.0 114.659 -170.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.0 m -87.97 -28.35 21.51 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -177.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.2 pp -120.69 -15.1 8.48 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 117.796 2.517 . . . . 0.0 117.796 -166.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -16.94 130.13 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 128.504 2.722 . . . . 0.0 118.344 -167.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -177.39 -161.64 26.22 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 117.204 1.642 . . . . 0.0 117.204 169.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -158.58 158.3 33.64 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 126.694 1.997 . . . . 0.0 111.787 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.8 t -154.79 -175.51 5.46 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.975 1.71 . . . . 0.0 109.833 176.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 74.7 p -141.49 173.57 11.37 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.406 1.482 . . . . 0.0 110.573 174.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.416 HG21 ' CG1' ' A' ' 29' ' ' VAL . 5.1 t -157.9 150.47 22.56 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 121.197 -0.939 . . . . 0.0 111.046 177.135 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -81.22 121.39 26.09 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 167.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -143.4 173.19 11.83 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 126.225 1.81 . . . . 0.0 112.802 -176.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.2 t -79.3 -46.29 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 O-C-N 120.932 -1.105 . . . . 0.0 110.087 169.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.9 t70 177.52 -158.19 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 129.898 3.279 . . . . 0.0 106.626 -176.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.56 -20.62 3.1 Favored 'General case' 0 CA--C 1.547 0.84 0 O-C-N 119.981 -1.7 . . . . 0.0 113.933 169.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.73 -6.22 10.98 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.991 1.316 . . . . 0.0 113.78 173.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.3 m -140.09 -37.76 0.47 Allowed 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 126.098 1.759 . . . . 0.0 112.357 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.01 -37.55 81.57 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.037 1.335 . . . . 0.0 110.695 176.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.95 5.63 4.94 Favored 'General case' 0 CA--C 1.552 1.048 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 178.236 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.51 11.62 4.1 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 125.724 1.61 . . . . 0.0 112.949 173.319 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.416 ' CG1' HG21 ' A' ' 18' ' ' THR . 4.9 p -118.48 -39.98 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 C-N-CA 124.254 1.021 . . . . 0.0 112.605 175.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -65.87 -31.08 71.82 Favored 'General case' 0 C--O 1.224 -0.245 0 C-N-CA 123.882 0.873 . . . . 0.0 112.225 172.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.413 ' HD3' ' CZ2' ' A' ' 43' ' ' TRP . 11.8 mmtt -56.98 -28.47 62.36 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.162 0.985 . . . . 0.0 112.937 177.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -81.15 -49.89 10.28 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 118.45 0.568 . . . . 0.0 111.497 176.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -61.22 -40.78 95.27 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.453 1.101 . . . . 0.0 111.683 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.75 -49.43 76.61 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 125.539 1.536 . . . . 0.0 111.903 175.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -63.25 -25.01 68.13 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 177.29 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -80.33 -28.39 38.17 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 177.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 51.2 m-80 -80.45 -32.07 37.32 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 168.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.32 -0.97 18.86 Favored Glycine 0 CA--C 1.532 1.131 0 C-N-CA 128.689 3.043 . . . . 0.0 114.448 170.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.1 p -74.06 155.56 6.62 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 CA-C-N 118.477 1.138 . . . . 0.0 112.034 178.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -164.03 30.31 0.08 Allowed 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 125.874 1.67 . . . . 0.0 110.314 169.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.23 -154.45 0.01 OUTLIER Glycine 0 CA--C 1.546 2.0 0 C-N-CA 128.696 3.046 . . . . 0.0 118.21 178.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -66.77 90.59 0.17 Allowed 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.95 1.3 . . . . 0.0 111.85 -178.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.413 ' CZ2' ' HD3' ' A' ' 31' ' ' LYS . 78.7 m95 -65.79 110.08 2.69 Favored 'General case' 0 C--O 1.236 0.342 0 O-C-N 120.354 -1.466 . . . . 0.0 110.215 -178.244 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.93 162.28 25.57 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 126.294 1.838 . . . . 0.0 110.905 -171.495 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -151.86 164.21 37.57 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.498 1.119 . . . . 0.0 111.735 177.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -140.5 156.49 46.32 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.843 2.057 . . . . 0.0 109.854 -174.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.417 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.3 OUTLIER -126.86 1.02 6.67 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 -178.21 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -87.69 -30.05 20.66 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.443 1.097 . . . . 0.0 110.283 169.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.5 -8.76 4.13 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 -176.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.417 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 1.3 mmpt? 59.93 48.01 9.29 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.852 1.661 . . . . 0.0 112.475 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 73.2 m -120.57 113.75 20.72 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.076 0.951 . . . . 0.0 111.513 -174.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -66.86 160.88 25.14 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-O 122.275 1.036 . . . . 0.0 110.915 168.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.4 m -145.75 160.45 41.71 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.537 1.535 . . . . 0.0 107.96 169.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.1 p -151.29 68.98 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 C-N-CA 125.671 1.588 . . . . 0.0 110.572 -177.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.5 m -68.59 109.95 4.0 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.035 -1.041 . . . . 0.0 111.832 -177.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.23 152.39 43.37 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 -178.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -172.44 43.97 0.17 Allowed Glycine 0 CA--C 1.538 1.476 0 C-N-CA 127.31 2.386 . . . . 0.0 112.14 176.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 47.6 p 57.55 32.79 22.36 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 127.111 2.164 . . . . 0.0 114.196 -169.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -63.14 -31.43 72.57 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 115.95 1.833 . . . . 0.0 115.95 -169.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.655 ' CG ' ' H ' ' A' ' 61' ' ' HIS . 6.5 t-80 -149.02 -156.83 0.76 Allowed 'General case' 0 CA--C 1.555 1.151 0 CA-C-N 119.89 1.223 . . . . 0.0 113.665 -173.139 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.655 ' H ' ' CG ' ' A' ' 60' ' ' HIS . 6.9 p80 -29.5 -34.78 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 131.413 3.885 . . . . 0.0 120.038 -169.205 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.8 p80 -70.7 45.74 0.09 Allowed 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 126.615 1.966 . . . . 0.0 113.278 171.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -152.01 28.52 0.6 Allowed 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 126.513 1.925 . . . . 0.0 112.184 -170.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 39.8 m80 -96.71 132.14 42.68 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 120.533 -1.354 . . . . 0.0 112.326 -177.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 27.4 ptt? -72.05 0.53 9.25 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 126.552 1.941 . . . . 0.0 115.879 -178.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 50.4 m-70 -71.97 75.72 0.91 Allowed 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.08 1.752 . . . . 0.0 113.593 -172.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.06 13.47 0.54 Allowed 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 127.284 2.234 . . . . 0.0 115.641 -172.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -60.99 -73.27 0.1 Allowed 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 124.535 1.134 . . . . 0.0 112.818 177.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.5 t -163.93 179.23 7.16 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 125.971 1.708 . . . . 0.0 111.07 170.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 10.8 t -146.66 70.43 12.54 Favored Pre-proline 0 CA--C 1.55 0.957 0 O-C-N 120.769 -1.207 . . . . 0.0 112.188 171.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -70.65 11.89 0.46 Allowed 'Trans proline' 0 CA--C 1.548 1.186 0 C-N-CA 124.401 3.401 . . . . 0.0 114.585 -179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 30.6 tp -82.56 -12.38 57.77 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.121 1.368 . . . . 0.0 112.099 169.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -144.32 171.41 14.36 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.326 1.45 . . . . 0.0 111.733 -177.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 7.6 p -145.17 -6.49 0.65 Allowed 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 127.341 2.257 . . . . 0.0 114.101 -169.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.4 mttp -65.2 130.06 41.97 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-N 119.295 0.952 . . . . 0.0 110.108 169.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 23.5 t -124.4 142.83 39.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 124.314 1.046 . . . . 0.0 110.01 -176.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -101.09 148.63 24.84 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 127.162 2.185 . . . . 0.0 109.859 170.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.1 p -148.29 144.41 18.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 O-C-N 121.409 -0.807 . . . . 0.0 111.704 171.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -170.74 -171.71 36.33 Favored Glycine 0 N--CA 1.47 0.903 0 N-CA-C 117.302 1.681 . . . . 0.0 117.302 173.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.2 t30 63.31 1.09 0.89 Allowed 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 127.827 2.451 . . . . 0.0 117.04 171.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.4 pp -63.4 7.5 0.1 Allowed 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 127.099 2.16 . . . . 0.0 115.369 169.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 108.07 -173.38 18.11 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 126.809 2.147 . . . . 0.0 111.773 -172.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -86.67 28.53 0.87 Allowed 'General case' 0 CA--C 1.549 0.913 0 O-C-N 121.482 -1.011 . . . . 0.0 113.043 170.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -75.19 58.55 0.93 Allowed 'General case' 0 CA--C 1.546 0.802 0 O-C-N 120.842 -1.161 . . . . 0.0 110.738 169.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -76.52 62.53 3.1 Favored Glycine 0 CA--C 1.528 0.846 0 C-N-CA 126.688 2.09 . . . . 0.0 112.821 -178.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -144.88 131.56 19.99 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 127.202 2.201 . . . . 0.0 107.438 179.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.48 -12.03 61.32 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 -170.56 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 85.6 m -52.13 -57.95 8.05 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 121.051 1.75 . . . . 0.0 114.981 -169.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -74.63 -46.03 40.93 Favored 'General case' 0 C--N 1.344 0.331 0 CA-C-N 119.817 1.19 . . . . 0.0 111.081 -178.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . 0.262 3.0 pp -60.24 -35.27 75.1 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 119.844 1.202 . . . . 0.0 112.114 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -58.22 -52.87 63.78 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.397 1.079 . . . . 0.0 112.174 170.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.28 -37.17 86.55 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 119.742 1.155 . . . . 0.0 111.9 176.27 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.57 -43.6 93.35 Favored 'General case' 0 C--O 1.223 -0.328 0 C-N-CA 124.473 1.109 . . . . 0.0 111.678 -179.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -66.91 -63.86 0.97 Allowed 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 125.24 1.416 . . . . 0.0 111.758 173.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -57.23 -22.32 43.26 Favored Glycine 0 CA--C 1.545 1.958 0 N-CA-C 115.423 0.929 . . . . 0.0 115.423 -178.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -53.69 -52.07 61.21 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.732 1.613 . . . . 0.0 112.659 169.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -67.02 -46.29 74.93 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.285 0.634 . . . . 0.0 110.564 177.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -165.09 151.01 19.62 Favored Glycine 0 N--CA 1.473 1.117 0 CA-C-O 118.418 -1.212 . . . . 0.0 112.796 176.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -63.77 123.85 12.66 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 CA-C-N 120.894 2.347 . . . . 0.0 112.844 -169.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 18.3 mt -60.52 157.2 14.66 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 125.062 1.345 . . . . 0.0 112.857 173.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -118.72 -21.71 7.75 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.601 1.161 . . . . 0.0 112.303 169.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.0 m -160.97 150.17 16.77 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.295 1.838 . . . . 0.0 111.415 168.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 99.2 t -138.8 141.62 36.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 126.244 1.818 . . . . 0.0 108.499 173.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 87.4 t90 -146.46 142.57 28.25 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 124.546 1.139 . . . . 0.0 111.395 -173.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 1.9 m -138.21 142.32 35.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 N-CA-C 106.375 -1.713 . . . . 0.0 106.375 168.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -57.11 149.09 20.18 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 116.718 2.118 . . . . 0.0 116.718 -167.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.47 9.22 1.43 Allowed 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 125.671 1.588 . . . . 0.0 115.034 175.683 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -133.26 146.03 59.19 Favored Pre-proline 0 CA--C 1.545 0.773 0 C-N-CA 127.541 2.337 . . . . 0.0 108.446 175.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -12.93 79.9 0.0 OUTLIER 'Trans proline' 0 CA--C 1.546 1.097 1 C-N-CA 128.186 5.924 . . . . 0.0 117.165 -169.442 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -72.23 172.46 14.81 Favored 'Trans proline' 0 CA--C 1.542 0.881 0 C-N-CA 123.34 2.694 . . . . 0.0 115.294 -168.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 149.17 -24.8 1.26 Allowed Glycine 0 CA--C 1.54 1.619 0 C-N-CA 128.103 2.764 . . . . 0.0 110.212 -169.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -102.63 143.56 32.15 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 129.448 3.099 . . . . 0.0 106.118 168.261 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -161.05 177.34 10.41 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 115.531 1.678 . . . . 0.0 115.531 -166.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -145.42 169.09 19.01 Favored 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 178.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -157.36 153.53 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 125.926 1.691 . . . . 0.0 111.037 -171.398 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -138.39 122.97 18.54 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.758 1.623 . . . . 0.0 108.922 169.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -98.84 -10.65 22.65 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.259 1.024 . . . . 0.0 113.279 175.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 65.46 -40.1 0.3 Allowed 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 128.42 2.688 . . . . 0.0 114.696 -177.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -91.47 127.3 51.28 Favored Pre-proline 0 CA--C 1.549 0.912 0 C-N-CA 125.322 1.449 . . . . 0.0 110.595 174.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo -62.96 -31.42 77.0 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.117 2.545 . . . . 0.0 115.523 -179.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.4 -40.98 73.59 Favored 'General case' 0 N--CA 1.481 1.119 0 CA-C-N 120.776 1.625 . . . . 0.0 111.372 176.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -60.82 -49.19 78.46 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 122.668 0.387 . . . . 0.0 110.137 178.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.14 -40.52 96.34 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 171.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -58.77 -43.74 90.46 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 120.295 1.407 . . . . 0.0 112.326 -179.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -71.63 -35.77 70.52 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.338 -0.851 . . . . 0.0 111.201 176.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -74.64 1.27 12.59 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 172.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -129.16 -1.9 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 O-C-N 120.179 -1.576 . . . . 0.0 112.389 178.228 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -122.09 4.6 9.83 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.961 1.705 . . . . 0.0 113.519 169.569 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -126.22 -30.01 2.95 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.411 1.085 . . . . 0.0 113.13 169.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 73.1 mt -76.11 -46.33 29.38 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 120.475 1.489 . . . . 0.0 111.21 168.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . 0.265 47.8 p30 11.64 -34.95 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.417 2 C-N-CA 135.14 5.376 . . . . 0.0 122.576 -170.415 . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 167.26 25.68 0.02 OUTLIER Glycine 0 CA--C 1.536 1.348 0 C-N-CA 126.47 1.986 . . . . 0.0 114.393 177.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 34.9 mtt180 -78.42 -75.11 0.24 Allowed 'General case' 0 N--CA 1.482 1.125 0 CA-C-N 118.92 1.36 . . . . 0.0 112.712 -169.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 2.3 m -171.32 140.86 1.5 Allowed 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 127.907 2.483 . . . . 0.0 106.936 175.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 9.0 tp -165.22 141.42 5.52 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 105.338 -2.097 . . . . 0.0 105.338 -178.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 58.3 m 59.6 -48.74 0.08 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 127.383 2.273 . . . . 0.0 113.927 -168.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 150.98 31.85 0.04 OUTLIER Glycine 0 CA--C 1.529 0.952 0 C-N-CA 125.259 1.409 . . . . 0.0 115.726 168.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -139.42 178.92 6.85 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.247 1.019 . . . . 0.0 111.383 176.351 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.34 90.3 0.7 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.359 1.464 . . . . 0.0 108.6 176.717 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 9.1 p -75.41 165.59 3.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 124.179 0.991 . . . . 0.0 109.391 -175.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.407 ' HG2' HH11 ' A' ' 141' ' ' ARG . 0.0 OUTLIER -136.07 131.43 34.86 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 127.669 2.388 . . . . 0.0 106.181 169.742 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 61.6 t -138.31 109.96 5.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 169.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -122.07 155.27 36.02 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 120.98 -1.075 . . . . 0.0 110.356 -169.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 7.0 tt -74.11 131.28 41.15 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 120.417 -1.427 . . . . 0.0 107.614 169.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 24.0 t -55.38 154.06 6.6 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 -168.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 53.13 54.62 10.05 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 126.112 1.765 . . . . 0.0 112.926 175.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 84.66 1.74 88.99 Favored Glycine 0 CA--C 1.536 1.377 0 N-CA-C 116.286 1.275 . . . . 0.0 116.286 169.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 58.48 -46.5 0.06 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 128.802 2.841 . . . . 0.0 117.115 -173.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 18.2 mmtm -114.56 116.45 28.8 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 120.012 1.278 . . . . 0.0 109.678 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.037 0 C-N-CA 127.681 2.392 . . . . 0.0 110.028 -173.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 151' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.351 0 C3'-C2'-C1' 104.642 3.491 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 152' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.276 2 C4'-C3'-C2' 97.258 -5.442 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.225 5 N19-C1'-C2' 125.124 7.327 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.382 1 O4'-C1'-N19 114.198 5.998 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.484 1.271 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -86.15 141.25 29.51 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 120.837 -1.164 . . . . 0.0 111.38 173.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -125.47 153.47 43.49 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 127.504 2.322 . . . . 0.0 108.422 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -106.6 162.89 13.35 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.792 1.237 . . . . 0.0 111.22 179.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -145.65 138.07 25.67 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.741 2.016 . . . . 0.0 110.339 174.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.4 mp -114.94 131.48 67.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 126.427 1.891 . . . . 0.0 110.275 173.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.2 mp -106.88 58.83 0.63 Allowed 'General case' 0 C--O 1.222 -0.392 0 C-N-CA 127.132 2.173 . . . . 0.0 110.389 -176.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -62.72 75.58 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.018 0 O-C-N 120.906 -1.122 . . . . 0.0 113.076 174.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.51 -177.86 35.37 Favored Glycine 0 CA--C 1.537 1.458 0 O-C-N 120.136 -1.602 . . . . 0.0 113.834 177.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.95 -47.71 79.36 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 121.611 -0.935 . . . . 0.0 112.662 -171.103 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.4 p -126.01 -15.22 5.9 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.345 1.458 . . . . 0.0 112.754 -179.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.462 ' C ' ' HE3' ' A' ' 13' ' ' LYS . 1.5 pt? -116.6 158.68 23.31 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 127.721 2.408 . . . . 0.0 108.435 178.729 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.462 ' HE3' ' C ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -158.65 156.41 29.94 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 174.759 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -166.05 -161.61 15.5 Favored Glycine 0 CA--C 1.533 1.211 0 N-CA-C 116.562 1.385 . . . . 0.0 116.562 169.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -148.66 163.15 38.16 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.671 1.588 . . . . 0.0 112.101 -179.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.6 t -159.71 -176.56 5.8 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 126.066 1.746 . . . . 0.0 110.764 169.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 72.6 p -142.34 169.34 17.77 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 126.208 1.803 . . . . 0.0 110.696 173.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.2 t -157.38 150.33 23.42 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 121.357 -0.84 . . . . 0.0 111.551 172.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -76.59 118.75 19.55 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 167.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -138.35 175.9 9.17 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.887 1.675 . . . . 0.0 111.997 178.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.9 p -80.19 -40.16 19.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 O-C-N 121.1 -1.0 . . . . 0.0 111.056 169.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 t70 172.16 -160.01 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 131.405 3.882 . . . . 0.0 106.929 -177.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.75 -22.2 2.0 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 120.233 -1.542 . . . . 0.0 114.424 170.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.34 -4.85 15.9 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 121.019 -1.05 . . . . 0.0 113.567 174.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.1 m -137.06 -36.93 0.66 Allowed 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.734 1.614 . . . . 0.0 112.32 172.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.2 -38.48 90.61 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.781 1.232 . . . . 0.0 110.913 176.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -73.67 2.77 7.45 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 178.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.89 19.03 4.15 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 120.48 -1.387 . . . . 0.0 111.878 174.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.5 t -120.74 -51.83 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 125.449 1.5 . . . . 0.0 109.995 177.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -61.27 -27.55 68.55 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 123.846 0.858 . . . . 0.0 113.014 176.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -56.09 -29.63 60.86 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.662 1.185 . . . . 0.0 113.197 175.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -84.78 -49.4 8.48 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.595 0.758 . . . . 0.0 110.732 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -63.37 -40.36 97.05 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.965 0.906 . . . . 0.0 112.033 179.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.12 -49.35 78.0 Favored 'General case' 0 N--CA 1.453 -0.311 0 O-C-N 121.306 -0.871 . . . . 0.0 111.845 177.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -65.18 -21.23 66.74 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 174.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -79.91 -30.26 40.02 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 119.515 1.052 . . . . 0.0 112.934 174.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -77.18 -35.33 55.96 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 167.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 119.82 -3.99 13.08 Favored Glycine 0 N--CA 1.438 -1.194 0 C-N-CA 128.925 3.155 . . . . 0.0 114.06 171.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.0 t -74.4 141.93 15.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 CA-C-N 118.857 1.329 . . . . 0.0 111.108 177.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -161.33 52.59 0.26 Allowed 'General case' 0 CA--C 1.544 0.749 0 CA-C-O 122.672 1.225 . . . . 0.0 112.383 169.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.26 -151.93 7.58 Favored Glycine 0 CA--C 1.539 1.545 0 C-N-CA 125.601 1.572 . . . . 0.0 115.425 177.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -68.04 113.23 5.55 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.016 1.327 . . . . 0.0 111.051 176.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 80.4 m95 -77.71 138.25 38.94 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 121.101 -1.0 . . . . 0.0 110.739 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -143.43 161.9 37.18 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 126.517 1.927 . . . . 0.0 110.491 -170.552 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -158.02 168.26 27.61 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.087 1.355 . . . . 0.0 111.439 -177.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -141.2 165.51 27.34 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.272 1.429 . . . . 0.0 112.094 173.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.427 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 28.9 t70 -124.37 1.04 8.37 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 -177.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -98.95 -32.13 11.47 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.456 1.502 . . . . 0.0 111.482 171.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.1 t -123.77 -1.91 8.37 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.381 1.073 . . . . 0.0 113.406 178.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.427 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 2.3 mmpt? 53.76 42.06 31.89 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.963 1.305 . . . . 0.0 112.919 169.147 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.8 m -118.72 109.89 16.62 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 125.836 1.654 . . . . 0.0 109.395 -171.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -64.18 164.04 11.6 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 122.489 1.138 . . . . 0.0 111.643 169.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.2 m -147.41 156.86 43.28 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 125.257 1.423 . . . . 0.0 107.722 169.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 15.0 p -141.53 109.48 2.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 126.378 1.871 . . . . 0.0 107.888 170.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 64.9 m -113.46 111.63 22.26 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.193 0.597 . . . . 0.0 110.626 -170.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.94 61.7 1.52 Allowed 'General case' 0 CA--C 1.547 0.859 0 CA-C-O 122.513 1.149 . . . . 0.0 112.326 176.059 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -109.46 38.47 3.31 Favored Glycine 0 CA--C 1.535 1.338 0 C-N-CA 127.303 2.382 . . . . 0.0 110.844 170.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.9 t -56.16 156.53 5.51 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.716 1.207 . . . . 0.0 113.754 -173.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.2 p-80 -156.12 80.94 0.99 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.899 1.28 . . . . 0.0 111.928 -169.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.427 ' C ' ' H ' ' A' ' 62' ' ' HIS . 42.9 p-80 -137.33 45.07 2.23 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.764 1.626 . . . . 0.0 111.339 -175.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 72.49 -29.16 0.19 Allowed 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 128.393 2.677 . . . . 0.0 112.123 -168.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.427 ' H ' ' C ' ' A' ' 60' ' ' HIS . 15.3 t-80 -109.89 154.25 23.33 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 129.392 3.077 . . . . 0.0 106.117 167.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -120.5 25.76 9.58 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -168.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -139.22 142.44 37.86 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -172.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 90.5 mmm -115.69 -20.43 10.11 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 126.365 1.866 . . . . 0.0 111.976 172.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -135.35 172.31 13.19 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 127.445 2.298 . . . . 0.0 108.852 169.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.7 tpp180 -133.87 103.5 5.87 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 121.079 -1.013 . . . . 0.0 111.421 -174.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -63.08 -26.49 68.86 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.844 1.258 . . . . 0.0 114.285 179.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.8 t 49.03 33.94 5.16 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.478 1.511 . . . . 0.0 113.783 -177.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 7.9 t -129.77 65.69 75.59 Favored Pre-proline 0 CA--C 1.551 0.987 0 C-N-CA 125.484 1.514 . . . . 0.0 112.381 -170.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -65.67 105.26 0.75 Allowed 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 123.283 2.655 . . . . 0.0 110.222 170.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 79.6 mt -68.48 97.86 0.8 Allowed 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.264 1.426 . . . . 0.0 111.402 -175.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -151.96 162.32 41.25 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.807 1.243 . . . . 0.0 112.129 -172.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 3.9 p -134.88 -0.34 2.83 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 127.139 2.175 . . . . 0.0 113.606 -175.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.5 mttp -62.37 168.58 3.42 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.945 1.298 . . . . 0.0 111.892 169.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -126.14 140.68 47.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 C-N-CA 126.622 1.969 . . . . 0.0 108.885 173.391 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -91.34 148.16 22.53 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 126.565 1.946 . . . . 0.0 109.935 -178.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -145.95 138.35 20.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.088 0.471 . . . . 0.0 111.419 171.11 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -160.55 -176.48 32.7 Favored Glycine 0 N--CA 1.476 1.314 0 N-CA-C 117.297 1.679 . . . . 0.0 117.297 177.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 31.7 m120 54.92 2.76 0.05 OUTLIER 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 130.965 3.706 . . . . 0.0 118.855 177.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.68 3.44 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 128.523 2.729 . . . . 0.0 117.617 171.159 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 115.02 173.11 17.65 Favored Glycine 0 N--CA 1.473 1.119 0 C-N-CA 125.984 1.754 . . . . 0.0 112.162 -179.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -70.55 58.28 0.19 Allowed 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 125.284 1.433 . . . . 0.0 114.775 -178.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -120.89 156.25 32.42 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.882 1.673 . . . . 0.0 111.744 -175.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -166.4 48.45 0.26 Allowed Glycine 0 CA--C 1.528 0.901 0 C-N-CA 125.924 1.725 . . . . 0.0 111.534 177.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -125.12 10.48 8.13 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.224 1.41 . . . . 0.0 112.837 -172.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.6 -21.28 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.447 1 C-N-CA 131.837 4.055 . . . . 0.0 121.186 172.067 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 57.9 m -57.75 -50.4 73.37 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 120.923 1.692 . . . . 0.0 114.595 -169.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 60.2 tt0 -70.69 -47.58 59.11 Favored 'General case' 0 C--N 1.341 0.233 0 CA-C-N 119.085 0.857 . . . . 0.0 110.559 -177.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.9 pp -60.93 -34.5 74.81 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 118.939 0.79 . . . . 0.0 112.045 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -59.75 -45.2 92.97 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 119.011 0.823 . . . . 0.0 112.515 172.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.86 -36.45 75.53 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 119.788 1.176 . . . . 0.0 112.736 172.182 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.5 -44.31 97.31 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 124.268 1.027 . . . . 0.0 111.543 -179.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -69.35 -65.18 0.74 Allowed 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 125.022 1.329 . . . . 0.0 111.768 173.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -52.97 -21.69 10.77 Favored Glycine 0 CA--C 1.546 2.007 0 N-CA-C 115.958 1.143 . . . . 0.0 115.958 -176.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -55.14 -50.73 68.52 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.123 1.769 . . . . 0.0 113.089 168.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -66.94 -40.86 87.68 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.822 0.849 . . . . 0.0 110.903 176.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -176.77 166.75 37.75 Favored Glycine 0 N--CA 1.477 1.424 0 CA-C-O 118.485 -1.175 . . . . 0.0 114.575 169.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -67.18 130.07 21.9 Favored 'Trans proline' 0 CA--C 1.535 0.528 0 CA-C-N 121.599 2.699 . . . . 0.0 113.813 -169.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 18.9 mt -71.23 144.34 50.11 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.011 1.724 . . . . 0.0 112.187 174.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 45.0 ttm180 -94.85 -34.14 12.57 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.78 1.632 . . . . 0.0 111.165 169.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 88.0 p -153.86 154.76 34.49 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.491 1.116 . . . . 0.0 112.248 173.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 67.5 t -140.77 131.79 28.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 125.29 1.436 . . . . 0.0 108.635 172.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 76.1 t90 -139.96 148.91 42.62 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 125.713 1.605 . . . . 0.0 110.484 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.9 m -142.77 151.44 17.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 C-N-CA 125.96 1.704 . . . . 0.0 107.373 175.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -75.37 166.73 23.15 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 116.116 1.895 . . . . 0.0 116.116 -168.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 25.8 ttm105 -33.93 -55.4 0.48 Allowed 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 130.429 3.492 . . . . 0.0 116.955 -169.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -135.47 133.8 20.65 Favored Pre-proline 0 N--CA 1.475 0.801 0 CA-C-O 116.543 -1.694 . . . . 0.0 108.674 176.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -20.92 81.81 0.0 OUTLIER 'Trans proline' 0 CA--C 1.547 1.129 1 C-N-CA 127.994 5.796 . . . . 0.0 117.719 -169.721 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -88.76 -24.86 0.74 Allowed 'Trans proline' 0 CA--C 1.539 0.739 0 C-N-CA 123.608 2.872 . . . . 0.0 114.041 -169.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 74.78 38.14 43.16 Favored Glycine 0 N--CA 1.47 0.951 0 C-N-CA 124.436 1.017 . . . . 0.0 111.808 -169.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -162.99 139.37 7.26 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.484 1.913 . . . . 0.0 109.067 -168.182 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -164.28 172.35 13.66 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 -167.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -147.26 146.17 29.68 Favored 'General case' 0 N--CA 1.482 1.128 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 175.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 18.1 m -141.49 170.26 13.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 124.259 1.024 . . . . 0.0 112.678 -175.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -144.85 148.8 34.39 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 120.97 -1.081 . . . . 0.0 109.719 168.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -113.05 158.75 19.92 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.348 1.459 . . . . 0.0 112.368 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -64.35 -41.81 96.56 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 177.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -110.5 126.1 29.53 Favored Pre-proline 0 CA--C 1.545 0.771 0 C-N-CA 124.786 1.234 . . . . 0.0 108.934 175.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -50.26 -25.65 13.9 Favored 'Trans proline' 0 CA--C 1.539 0.726 0 C-N-CA 123.541 2.827 . . . . 0.0 114.446 169.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.06 -28.18 62.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.164 0.986 . . . . 0.0 113.201 171.435 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -66.34 -45.43 80.25 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 119.715 1.143 . . . . 0.0 109.342 169.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.88 -37.41 82.05 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 118.716 -0.659 . . . . 0.0 112.18 172.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.73 -46.99 73.68 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 119.822 1.192 . . . . 0.0 112.754 175.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -56.01 -45.56 79.04 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 118.921 0.782 . . . . 0.0 110.964 171.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.42 -57.65 7.8 Favored 'General case' 0 C--O 1.221 -0.425 0 C-N-CA 123.333 0.653 . . . . 0.0 110.446 -178.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 41.7 t -53.76 -42.46 52.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 124.773 1.229 . . . . 0.0 112.184 178.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.11 -11.86 58.52 Favored 'General case' 0 N--CA 1.48 1.025 0 N-CA-C 114.336 1.235 . . . . 0.0 114.336 -176.273 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -112.76 -19.01 12.17 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 176.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 74.1 mt -89.67 -30.74 17.88 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.423 1.889 . . . . 0.0 112.541 169.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 13.8 p30 4.09 -48.24 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.395 1 C-N-CA 134.079 4.951 . . . . 0.0 120.167 -174.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 179.07 40.91 0.07 OUTLIER Glycine 0 CA--C 1.531 1.089 0 C-N-CA 129.148 3.261 . . . . 0.0 112.382 171.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 25.3 mmt85 -67.7 -84.05 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 125.231 1.412 . . . . 0.0 112.346 -174.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 3.3 m 177.62 140.38 0.08 Allowed 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 131.411 3.884 . . . . 0.0 105.51 178.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -167.77 141.1 3.34 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 105.538 -2.023 . . . . 0.0 105.538 -170.043 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 74.4 m 58.59 -29.26 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 127.019 2.128 . . . . 0.0 115.564 -169.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 144.88 2.65 0.73 Allowed Glycine 0 CA--C 1.529 0.911 0 C-N-CA 126.247 1.879 . . . . 0.0 115.67 169.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -128.39 177.85 6.68 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.742 1.217 . . . . 0.0 111.351 -177.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.74 90.71 1.87 Allowed 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.301 1.44 . . . . 0.0 109.529 -177.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 6.1 p -67.34 168.24 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 126.63 1.972 . . . . 0.0 109.159 177.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -156.58 126.6 6.42 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 126.956 2.102 . . . . 0.0 106.568 172.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 98.0 t -132.15 128.2 58.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 -174.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -140.42 178.14 7.52 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.822 0.849 . . . . 0.0 110.897 -169.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 20.3 tp -78.9 139.32 38.32 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 120.359 -1.463 . . . . 0.0 109.044 168.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 48.3 t -58.57 128.97 39.86 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.867 0.867 . . . . 0.0 111.252 175.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -153.58 12.06 0.45 Allowed 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 -170.245 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -64.3 150.7 50.6 Favored Glycine 0 CA--C 1.537 1.42 0 O-C-N 121.411 -0.806 . . . . 0.0 114.297 176.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -154.53 149.5 26.77 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.395 1.478 . . . . 0.0 111.519 172.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 38.2 mttp -148.28 88.23 1.64 Allowed 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.52 1.528 . . . . 0.0 111.279 173.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.254 1.315 0 C-N-CA 127.866 2.467 . . . . 0.0 111.577 178.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 151' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.647 0 C2'-C3'-O3' 120.465 3.38 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 152' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.236 1 P-O3'-C3' 127.263 6.303 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.867 1 O5'-C5'-C4' 117.702 5.358 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.42 2 P-O3'-C3' 126.387 5.572 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.483 1.204 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -88.95 140.07 29.81 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 119.636 1.107 . . . . 0.0 111.099 176.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.462 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 86.1 m-85 -126.1 157.81 37.08 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 127.277 2.231 . . . . 0.0 108.882 -177.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -114.42 163.2 15.66 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.733 1.213 . . . . 0.0 112.074 -176.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -149.63 127.88 12.1 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 126.296 1.838 . . . . 0.0 111.612 179.58 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.4 mp -109.69 108.17 24.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 126.153 1.781 . . . . 0.0 110.831 176.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 16.2 mt -83.99 58.97 4.99 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 128.75 2.82 . . . . 0.0 111.734 176.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -67.43 126.3 28.84 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 120.945 -1.097 . . . . 0.0 111.144 178.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -140.58 -173.27 13.33 Favored Glycine 0 CA--C 1.529 0.956 0 N-CA-C 117.723 1.849 . . . . 0.0 117.723 169.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -69.64 -48.14 60.92 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 127.925 2.49 . . . . 0.0 113.755 -170.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.5 m -119.33 -1.2 10.82 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 125.525 1.53 . . . . 0.0 111.085 -172.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -157.56 164.46 37.3 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 128.258 2.623 . . . . 0.0 110.201 -178.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.16 159.08 14.89 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 124.812 1.245 . . . . 0.0 111.856 166.647 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -176.1 -161.78 25.84 Favored Glycine 0 CA--C 1.522 0.508 0 CA-C-N 114.647 -1.161 . . . . 0.0 115.458 168.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -156.82 155.55 31.72 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.414 1.086 . . . . 0.0 112.389 -174.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.9 t -151.42 -173.66 4.58 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.96 1.304 . . . . 0.0 109.704 174.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 66.9 p -142.06 173.38 11.57 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.299 1.44 . . . . 0.0 110.846 176.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.6 t -158.59 149.33 20.25 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 121.293 -0.879 . . . . 0.0 111.416 173.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 47.4 tp10 -75.06 118.23 17.78 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 107.002 -1.481 . . . . 0.0 107.002 167.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -137.22 176.91 8.28 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.616 1.567 . . . . 0.0 112.1 178.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.408 ' H ' ' HB ' ' A' ' 25' ' ' THR . 55.4 t -84.43 -38.82 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 O-C-N 121.546 -0.721 . . . . 0.0 111.629 171.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.462 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 2.4 t70 174.58 -156.61 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 130.819 3.648 . . . . 0.0 106.9 173.571 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.82 -21.01 2.51 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 120.468 -1.395 . . . . 0.0 113.616 169.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.55 -7.61 27.47 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.931 1.292 . . . . 0.0 113.814 173.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.408 ' HB ' ' H ' ' A' ' 21' ' ' VAL . 49.8 m -135.48 -37.73 0.76 Allowed 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.84 1.656 . . . . 0.0 111.935 175.429 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.69 -39.66 94.87 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.177 1.391 . . . . 0.0 110.601 176.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -74.44 3.48 7.47 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 114.795 1.406 . . . . 0.0 114.795 178.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.34 18.45 4.42 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 120.368 -1.458 . . . . 0.0 111.821 173.215 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.5 t -119.87 -51.34 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 125.414 1.486 . . . . 0.0 109.777 177.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -61.75 -27.06 68.46 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 123.801 0.841 . . . . 0.0 112.66 177.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -56.18 -32.42 64.33 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.789 1.236 . . . . 0.0 113.202 175.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -81.36 -47.8 12.79 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.335 0.654 . . . . 0.0 110.788 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -66.23 -37.5 85.69 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.403 1.081 . . . . 0.0 112.101 179.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.38 -47.86 84.26 Favored 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 121.137 -0.977 . . . . 0.0 112.003 177.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 -67.02 -18.74 65.5 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 113.599 0.963 . . . . 0.0 113.599 175.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -80.91 -29.68 35.53 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.426 1.012 . . . . 0.0 113.127 171.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -77.42 -34.01 54.8 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.794 -0.566 . . . . 0.0 109.474 168.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.56 7.14 43.02 Favored Glycine 0 N--CA 1.44 -1.075 0 C-N-CA 127.989 2.709 . . . . 0.0 113.908 175.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.5 t -83.35 149.26 4.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-N 117.651 0.725 . . . . 0.0 110.117 170.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -160.69 46.1 0.21 Allowed 'General case' 0 CA--C 1.549 0.907 0 CA-C-O 122.922 1.344 . . . . 0.0 110.977 170.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.1 -151.32 0.84 Allowed Glycine 0 CA--C 1.539 1.591 0 C-N-CA 126.219 1.866 . . . . 0.0 117.641 178.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -68.45 93.01 0.46 Allowed 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 125.73 1.612 . . . . 0.0 112.431 -175.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 76.4 m95 -66.96 109.49 2.98 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 119.363 -2.085 . . . . 0.0 110.637 -174.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.6 m -128.0 160.59 31.45 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 127.116 2.167 . . . . 0.0 109.134 -170.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -149.08 163.07 38.61 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 126.098 1.759 . . . . 0.0 109.985 179.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -135.0 125.74 27.17 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 125.243 1.417 . . . . 0.0 108.437 171.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.438 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.8 OUTLIER -85.11 -7.64 59.0 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 -173.332 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -101.76 -28.65 12.33 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.304 1.442 . . . . 0.0 112.223 -177.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.8 t -113.37 1.85 15.26 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.656 0.783 . . . . 0.0 112.888 171.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.438 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 4.3 mmpt? 53.81 40.07 31.09 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 126.277 1.831 . . . . 0.0 112.869 169.723 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 57.6 m -124.58 112.9 17.36 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.852 1.261 . . . . 0.0 110.483 -169.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -67.31 158.52 31.36 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.847 1.259 . . . . 0.0 111.278 169.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 37.8 m -147.96 151.76 36.35 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.089 1.356 . . . . 0.0 107.71 169.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.289 10.6 p -147.09 58.76 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 CA-C-O 123.272 1.51 . . . . 0.0 112.752 -171.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.6 m -57.75 102.02 0.09 Allowed 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 126.96 2.104 . . . . 0.0 114.295 -173.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -71.54 121.62 19.03 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 127.165 2.186 . . . . 0.0 114.229 -174.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 66.08 -64.41 0.14 Allowed Glycine 0 CA--C 1.533 1.2 0 C-N-CA 126.856 2.17 . . . . 0.0 115.505 169.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.7 p -39.97 -71.26 0.08 Allowed 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 128.723 2.809 . . . . 0.0 114.675 -179.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -91.38 -18.72 23.82 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 -176.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -57.02 -26.59 60.54 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.514 1.301 . . . . 0.0 114.514 -171.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 19.3 p-80 -60.67 -15.13 25.46 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.228 1.411 . . . . 0.0 113.985 173.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -125.87 11.44 7.76 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 127.817 2.447 . . . . 0.0 112.403 -175.466 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 21.0 t-160 -59.64 107.49 0.6 Allowed 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.383 -0.823 . . . . 0.0 111.211 177.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 18.0 p80 -67.68 13.84 0.07 Allowed 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 126.183 1.793 . . . . 0.0 115.426 -174.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 92.8 mmm -114.7 -19.42 11.08 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.492 1.917 . . . . 0.0 112.507 176.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . 0.255 4.1 p80 46.44 -22.82 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.028 1 C-N-CA 131.742 4.017 . . . . 0.0 121.119 174.155 . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 15.3 ttm105 -65.31 -11.56 42.96 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-N 121.565 1.984 . . . . 0.0 115.04 -173.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 -93.36 -8.48 41.78 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 127.822 2.449 . . . . 0.0 114.227 173.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 29.0 p -144.83 -0.18 0.93 Allowed 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 115.586 1.699 . . . . 0.0 115.586 -168.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 30.3 m -38.93 -54.13 3.28 Favored Pre-proline 0 CA--C 1.547 0.844 0 N-CA-C 116.283 1.957 . . . . 0.0 116.283 -177.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -69.38 -7.77 21.84 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 122.85 2.367 . . . . 0.0 115.388 -173.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 73.5 mt -79.27 66.34 4.69 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.602 1.561 . . . . 0.0 110.839 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -129.64 165.77 21.12 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 126.64 1.976 . . . . 0.0 112.167 -169.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 68.9 m -123.05 -7.12 8.35 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.967 2.107 . . . . 0.0 113.007 171.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.24 151.43 31.71 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 119.363 0.983 . . . . 0.0 109.188 168.107 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.3 t -120.55 128.36 76.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 C-N-CA 126.6 1.96 . . . . 0.0 108.162 178.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -85.76 143.86 28.09 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 124.221 1.008 . . . . 0.0 109.337 171.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -149.67 138.4 15.0 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.276 0 CA-C-O 121.662 0.744 . . . . 0.0 112.45 175.498 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -133.38 140.73 12.07 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 108.479 -1.848 . . . . 0.0 108.479 167.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -163.36 151.18 13.2 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.002 1.321 . . . . 0.0 109.973 -168.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 50.1 tp 61.74 -52.87 0.13 Allowed 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 128.561 2.744 . . . . 0.0 114.726 -170.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.58 -21.22 39.57 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 125.839 1.685 . . . . 0.0 114.912 177.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -118.71 5.58 11.57 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 116.436 2.013 . . . . 0.0 116.436 -170.033 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -178.13 142.1 0.26 Allowed 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 126.192 1.797 . . . . 0.0 112.262 168.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -86.31 113.57 3.91 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 125.072 1.32 . . . . 0.0 110.818 168.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -136.17 135.07 38.87 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.967 1.307 . . . . 0.0 109.782 169.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.5 ptpt -77.35 -22.34 51.95 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 115.712 1.745 . . . . 0.0 115.712 -172.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 90.0 m -47.34 -62.43 1.43 Allowed 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 125.06 1.344 . . . . 0.0 113.495 -169.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.16 -55.76 16.8 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.27 -174.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.5 pp -64.72 -34.45 78.35 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 120.251 -0.58 . . . . 0.0 111.732 -171.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -61.13 -49.98 75.08 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 119.551 1.069 . . . . 0.0 111.378 176.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.26 -34.25 77.57 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 118.983 -1.087 . . . . 0.0 111.866 174.008 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.21 -43.44 91.54 Favored 'General case' 0 C--O 1.222 -0.38 0 C-N-CA 123.905 0.882 . . . . 0.0 112.007 -178.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -67.89 -63.65 1.02 Allowed 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 125.061 1.344 . . . . 0.0 111.078 174.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -56.08 -21.71 32.74 Favored Glycine 0 CA--C 1.546 2.021 0 N-CA-C 115.764 1.065 . . . . 0.0 115.764 -177.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -54.74 -51.16 66.52 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.854 1.662 . . . . 0.0 113.094 168.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -66.31 -40.84 90.24 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.197 0.599 . . . . 0.0 110.578 176.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -176.62 158.92 25.4 Favored Glycine 0 N--CA 1.479 1.523 0 CA-C-O 118.259 -1.301 . . . . 0.0 114.394 169.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -57.41 138.79 87.85 Favored 'Trans proline' 0 CA--C 1.536 0.614 0 CA-C-N 121.773 2.787 . . . . 0.0 115.877 -169.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 15.2 mt -83.89 158.23 21.69 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 126.199 1.799 . . . . 0.0 112.721 177.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 38.6 mtm-85 -109.31 -31.21 7.64 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 126.01 1.724 . . . . 0.0 112.118 169.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.5 t -155.55 149.64 25.64 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.241 1.017 . . . . 0.0 111.731 176.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 81.0 t -139.78 129.67 29.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 125.517 1.527 . . . . 0.0 108.791 172.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 79.4 t90 -136.17 150.58 49.1 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 126.054 1.742 . . . . 0.0 110.179 173.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 5.7 m -142.26 151.76 18.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 C-N-CA 123.699 0.799 . . . . 0.0 110.739 174.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -68.72 103.24 1.69 Allowed 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 121.623 0.725 . . . . 0.0 110.586 174.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 45.0 ptt85 -54.84 14.11 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 131.3 3.84 . . . . 0.0 117.021 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -126.82 -178.83 0.81 Allowed Pre-proline 0 CA--C 1.556 1.194 0 C-N-CA 128.845 2.858 . . . . 0.0 110.68 -168.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -55.44 -26.43 53.57 Favored 'Trans proline' 0 CA--C 1.548 1.206 0 C-N-CA 123.561 2.84 . . . . 0.0 117.787 173.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_exo -58.47 135.02 64.97 Favored 'Trans proline' 0 CA--C 1.54 0.818 0 CA-C-N 123.09 2.139 . . . . 0.0 113.485 169.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -95.78 63.24 1.31 Allowed Glycine 0 N--CA 1.473 1.16 0 C-N-CA 127.287 2.375 . . . . 0.0 109.636 179.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -141.42 150.68 42.66 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.472 1.909 . . . . 0.0 110.044 -167.704 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -165.76 174.02 10.1 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.921 1.288 . . . . 0.0 114.069 -168.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.412 ' CE1' ' C4 ' ' B' ' 152' ' ' ' A' . 95.3 m-85 -148.85 147.47 28.76 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 172.055 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 16.5 m -135.34 173.75 13.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 O-C-N 121.193 -0.942 . . . . 0.0 112.547 177.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -146.67 140.18 25.79 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.602 1.161 . . . . 0.0 108.599 169.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -105.81 160.65 15.07 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.615 1.166 . . . . 0.0 113.078 -176.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -66.52 -27.11 67.51 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 173.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -141.12 123.58 9.53 Favored Pre-proline 0 CA--C 1.55 0.949 0 C-N-CA 124.331 1.053 . . . . 0.0 111.75 -173.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.74 -30.6 57.25 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 124.739 3.626 . . . . 0.0 115.456 176.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 23.2 ttp-105 -56.88 -48.52 77.97 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-N 119.799 1.181 . . . . 0.0 110.669 171.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -76.97 -34.66 57.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.858 -174.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.91 -47.03 86.43 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.342 0.657 . . . . 0.0 111.469 169.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.86 -49.69 69.54 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.55 0.74 . . . . 0.0 111.259 -179.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -70.43 -30.09 66.85 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 119.07 0.85 . . . . 0.0 112.974 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.21 -54.1 48.53 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 121.774 -0.579 . . . . 0.0 110.422 169.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 40.0 t -52.7 -42.45 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 124.779 1.232 . . . . 0.0 111.939 173.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -67.95 -23.35 65.05 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 127.195 2.198 . . . . 0.0 113.65 -179.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -106.1 -38.65 6.22 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.159 0.984 . . . . 0.0 113.42 178.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 32.6 mt -66.6 -40.19 88.76 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.724 1.61 . . . . 0.0 114.369 -177.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -58.08 142.82 45.74 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 115.923 1.823 . . . . 0.0 115.923 -169.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 74.13 -63.03 2.11 Favored Glycine 0 CA--C 1.531 1.087 0 C-N-CA 126.462 1.982 . . . . 0.0 116.992 169.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . 0.26 0.0 OUTLIER -74.36 38.57 0.11 Allowed 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 127.856 2.462 . . . . 0.0 117.452 -167.833 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 97.2 m 72.83 143.58 0.07 Allowed 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 127.008 2.123 . . . . 0.0 113.78 170.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 36.9 tp -142.6 -64.68 0.41 Allowed 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.355 0.662 . . . . 0.0 111.945 173.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 24.5 m -74.09 -27.43 60.89 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 119.307 0.958 . . . . 0.0 113.435 171.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 131.0 35.66 0.38 Allowed Glycine 0 CA--C 1.536 1.393 0 N-CA-C 117.032 1.573 . . . . 0.0 117.032 169.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 37.8 t -143.74 -75.99 0.24 Allowed 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 119.054 1.427 . . . . 0.0 109.093 178.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 70.0 mtp180 -148.23 162.56 39.22 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 127.64 2.376 . . . . 0.0 109.88 169.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 78.9 t -127.8 150.76 33.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 126.557 1.943 . . . . 0.0 109.219 169.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.65 97.18 2.59 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.612 1.565 . . . . 0.0 110.091 175.445 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 48.5 t -122.49 133.32 69.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 126.084 1.754 . . . . 0.0 110.678 -168.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -145.02 167.75 21.92 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.172 0.989 . . . . 0.0 111.713 -176.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 22.1 tp -79.94 139.09 37.2 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 167.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 3.5 m -64.45 120.22 11.87 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 -172.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -146.91 140.31 25.57 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.659 1.984 . . . . 0.0 110.559 171.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 150.1 177.48 24.14 Favored Glycine 0 CA--C 1.531 1.079 0 C-N-CA 126.369 1.938 . . . . 0.0 110.064 -170.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -75.07 -34.38 61.79 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 118.65 1.225 . . . . 0.0 112.388 176.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -80.72 132.7 35.58 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.216 1.406 . . . . 0.0 108.301 174.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 3.4 mmm180 . . . . . 0 C--O 1.252 1.23 0 CA-C-O 117.414 -1.279 . . . . 0.0 113.154 -170.322 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 151' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.998 1 C3'-C2'-C1' 105.676 4.64 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 152' ' ' ' A' . . . . . 0.412 ' C4 ' ' CE1' ' A' ' 114' ' ' PHE . . . . . . . . 0 C5'--C4' 1.533 1.806 1 O4'-C1'-N19 115.355 7.155 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.506 3 N19-C1'-C2' 122.937 5.96 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.659 2 P-O3'-C3' 128.335 7.196 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.6 mmt . . . . . 0 N--CA 1.484 1.267 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -84.57 142.73 29.77 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 119.88 1.218 . . . . 0.0 111.565 175.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.459 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 83.2 m-85 -126.07 157.53 37.73 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 127.799 2.44 . . . . 0.0 108.914 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -111.36 162.57 14.9 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.079 1.352 . . . . 0.0 111.745 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.6 tp -143.64 140.88 30.33 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 126.782 2.033 . . . . 0.0 111.252 173.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mp -119.9 106.95 19.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 126.408 1.883 . . . . 0.0 109.403 172.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 73.9 mt -77.54 75.24 4.09 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 126.285 1.834 . . . . 0.0 109.258 169.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -63.27 52.55 0.02 OUTLIER 'General case' 0 CA--C 1.562 1.409 0 C-N-CA 125.599 1.56 . . . . 0.0 114.302 172.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.78 122.43 6.79 Favored Glycine 0 N--CA 1.468 0.822 0 O-C-N 119.442 -2.036 . . . . 0.0 114.129 178.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -31.08 -41.99 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 128.911 2.885 . . . . 0.0 117.809 -177.151 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 62.2 m -100.1 -37.34 9.0 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.048 0.939 . . . . 0.0 113.131 -173.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.5 pp -114.24 -17.8 11.76 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 117.149 2.277 . . . . 0.0 117.149 -167.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -10.72 134.28 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 120.248 3.425 . . . . 0.0 120.248 -166.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -175.57 -166.22 32.81 Favored Glycine 0 CA--C 1.528 0.895 0 N-CA-C 117.058 1.583 . . . . 0.0 117.058 169.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -130.69 163.23 27.69 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 118.913 1.357 . . . . 0.0 113.792 -168.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.4 t -157.5 -176.61 6.05 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.553 1.541 . . . . 0.0 110.777 169.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.1 p -143.14 169.5 17.47 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 126.352 1.861 . . . . 0.0 110.538 174.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.8 t -157.93 149.2 21.31 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.27 -0.893 . . . . 0.0 111.76 172.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.0 tp10 -75.08 119.11 18.79 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 106.955 -1.498 . . . . 0.0 106.955 167.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -138.75 175.99 9.08 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.529 1.531 . . . . 0.0 112.453 178.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 49.4 t -83.69 -39.07 14.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 O-C-N 121.426 -0.796 . . . . 0.0 111.752 171.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.459 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 3.3 t70 173.63 -155.9 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 131.272 3.829 . . . . 0.0 106.656 174.278 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.5 -19.79 2.49 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 120.625 1.557 . . . . 0.0 113.874 169.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.44 -7.49 19.86 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.559 1.144 . . . . 0.0 113.674 172.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 54.9 m -137.56 -38.26 0.6 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.993 1.717 . . . . 0.0 112.095 175.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.43 -38.95 88.54 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.019 1.328 . . . . 0.0 110.914 177.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -74.97 4.36 6.73 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 177.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.97 19.42 4.55 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 125.172 1.389 . . . . 0.0 111.546 171.198 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.5 t -119.92 -51.37 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 124.875 1.27 . . . . 0.0 110.3 176.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -60.92 -26.89 67.8 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.303 0.482 . . . . 0.0 112.303 176.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -54.53 -32.29 57.94 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.833 1.253 . . . . 0.0 113.0 171.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -77.53 -51.13 11.22 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 118.589 0.631 . . . . 0.0 110.848 176.254 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 94.0 t80 -60.11 -43.78 95.35 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 124.089 0.955 . . . . 0.0 112.336 -178.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.93 -49.85 74.37 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.964 0.906 . . . . 0.0 110.745 176.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -67.4 -23.83 65.6 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 178.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . 0.324 1.4 p30 -87.39 -15.29 38.25 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 120.282 1.401 . . . . 0.0 114.069 175.489 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -84.0 -46.98 11.46 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 166.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 133.46 -0.63 4.29 Favored Glycine 0 CA--C 1.541 1.693 0 C-N-CA 128.936 3.16 . . . . 0.0 115.627 172.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.1 t -77.72 155.23 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 125.063 1.345 . . . . 0.0 112.763 176.045 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -166.25 39.78 0.05 Allowed 'General case' 0 CA--C 1.559 1.32 0 C-N-CA 125.141 1.376 . . . . 0.0 111.729 169.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.92 -145.4 0.49 Allowed Glycine 0 CA--C 1.544 1.903 0 N-CA-C 118.11 2.004 . . . . 0.0 118.11 -176.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -72.16 89.07 1.15 Allowed 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.888 1.675 . . . . 0.0 112.44 -177.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 90.2 m95 -65.55 112.59 3.68 Favored 'General case' 0 C--O 1.236 0.344 0 O-C-N 120.058 -1.651 . . . . 0.0 110.543 -176.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 38.9 m -132.91 160.56 36.66 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 127.465 2.306 . . . . 0.0 108.559 -169.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -156.68 165.54 35.97 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.168 1.387 . . . . 0.0 111.097 -171.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -143.24 157.06 44.82 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.399 1.88 . . . . 0.0 110.494 -174.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.411 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 28.1 t70 -127.79 1.43 6.06 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 -176.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -88.73 -30.58 18.97 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.506 1.122 . . . . 0.0 109.949 169.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -130.96 -7.57 3.93 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 -174.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.411 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 1.2 mmpt? 60.38 46.13 10.28 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.268 1.827 . . . . 0.0 112.56 178.53 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 82.1 m -119.58 110.99 17.52 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.022 0.929 . . . . 0.0 111.534 -172.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -64.97 157.56 27.9 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.817 0.847 . . . . 0.0 111.332 169.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 35.3 m -147.59 149.58 32.82 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.237 1.415 . . . . 0.0 108.202 171.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.269 14.5 p -148.33 79.24 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 CA-C-O 123.179 1.466 . . . . 0.0 111.61 -175.538 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.4 m -73.53 114.96 12.36 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.274 1.43 . . . . 0.0 111.873 -176.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -126.06 135.46 51.78 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 127.067 2.147 . . . . 0.0 110.832 -169.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -139.36 26.65 2.67 Favored Glycine 0 CA--C 1.536 1.377 0 N-CA-C 117.475 1.75 . . . . 0.0 117.475 -169.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 36.8 t -152.88 138.98 18.24 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 120.105 1.953 . . . . 0.0 115.404 173.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.449 ' HD1' ' NH2' ' A' ' 150' ' ' ARG . 31.0 m80 -75.61 -18.82 59.59 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.326 -0.859 . . . . 0.0 112.704 169.308 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 65.9 t-80 57.69 -51.14 0.04 OUTLIER 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 129.731 3.212 . . . . 0.0 116.123 -174.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 20.1 t60 -146.22 72.93 1.31 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.035 1.334 . . . . 0.0 112.52 178.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 42.0 t-80 -67.67 92.81 0.34 Allowed 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.13 1.772 . . . . 0.0 106.89 168.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 21.9 p80 -62.48 10.98 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 117.204 2.298 . . . . 0.0 117.204 -168.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 17.7 t60 -148.41 135.42 20.11 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 127.614 2.366 . . . . 0.0 108.766 179.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 17.9 ttm -145.53 28.28 1.19 Allowed 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.933 0.893 . . . . 0.0 112.123 176.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 10.6 m80 70.09 -32.44 0.24 Allowed 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 129.292 3.037 . . . . 0.0 115.426 176.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.18 -2.97 27.0 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 127.25 2.22 . . . . 0.0 115.367 176.212 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -70.43 166.09 21.12 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 126.271 1.829 . . . . 0.0 113.271 -177.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.0 p -141.13 -42.2 0.38 Allowed 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 114.508 1.299 . . . . 0.0 114.508 171.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . 0.271 44.3 t 109.08 -57.65 0.0 OUTLIER Pre-proline 0 CA--C 1.554 1.111 1 C-N-CA 133.12 4.568 . . . . 0.0 111.454 -177.953 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -67.29 -43.76 5.7 Favored 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 122.807 2.338 . . . . 0.0 114.799 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -81.12 -15.9 54.59 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.559 1.144 . . . . 0.0 112.326 -175.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.479 ' C ' ' H ' ' A' ' 75' ' ' LYS . 1.0 OUTLIER -71.83 26.39 0.05 OUTLIER 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 127.805 2.442 . . . . 0.0 114.831 -174.73 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 26.5 p -66.49 19.4 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.148 0 C-N-CA 126.018 1.727 . . . . 0.0 113.776 169.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.479 ' H ' ' C ' ' A' ' 73' ' ' ASP . 40.2 mmtm -87.72 136.12 33.09 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 128.487 2.715 . . . . 0.0 109.977 -172.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 63.6 t -130.74 139.15 51.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 124.635 1.174 . . . . 0.0 111.12 -170.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -93.2 147.77 22.6 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 126.412 1.885 . . . . 0.0 110.032 169.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -147.85 131.35 8.6 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.296 0 CA-C-O 121.431 0.634 . . . . 0.0 111.144 169.66 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -161.18 -163.66 14.59 Favored Glycine 0 N--CA 1.469 0.892 0 O-C-N 121.298 -0.876 . . . . 0.0 114.335 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 36.42 60.79 0.87 Allowed 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 126.04 1.736 . . . . 0.0 111.617 -172.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 45.7 tp -115.28 -25.03 8.18 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.301 1.44 . . . . 0.0 114.289 -168.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 96.11 -178.02 34.26 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 123.818 0.723 . . . . 0.0 111.45 -169.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -59.19 -0.49 0.14 Allowed 'General case' 0 CA--C 1.553 1.07 0 N-CA-C 117.928 2.566 . . . . 0.0 117.928 -169.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -79.67 56.39 2.23 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 120.55 1.523 . . . . 0.0 113.418 -179.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -75.9 56.23 3.08 Favored Glycine 0 N--CA 1.472 1.089 0 C-N-CA 126.023 1.773 . . . . 0.0 113.561 175.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -141.66 140.98 33.36 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 126.414 1.886 . . . . 0.0 107.797 171.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 20.1 pttp -57.87 -28.33 64.06 Favored 'General case' 0 C--O 1.217 -0.639 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 -177.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 21.7 m -43.5 -57.9 2.88 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 126.306 1.842 . . . . 0.0 114.132 -170.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.77 -59.36 4.66 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 122.578 0.351 . . . . 0.0 110.682 -177.704 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.1 pp -63.03 -33.66 75.91 Favored 'General case' 0 C--O 1.218 -0.568 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -175.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -58.83 -48.37 81.56 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 126.418 1.887 . . . . 0.0 111.419 175.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -34.43 70.97 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 118.413 -0.803 . . . . 0.0 112.127 172.423 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.0 -39.42 92.18 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 119.419 1.009 . . . . 0.0 111.701 178.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.429 ' CD2' HG22 ' A' ' 115' ' ' VAL . 11.1 m-85 -75.26 -62.08 1.68 Allowed 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 126.317 1.847 . . . . 0.0 111.747 176.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -63.68 -13.52 51.66 Favored Glycine 0 CA--C 1.544 1.858 0 N-CA-C 115.293 0.877 . . . . 0.0 115.293 -178.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -54.98 -48.35 73.38 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 118.999 1.399 . . . . 0.0 111.662 167.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -65.5 -47.74 74.96 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.495 0.718 . . . . 0.0 109.544 172.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 176.14 160.46 23.56 Favored Glycine 0 N--CA 1.478 1.444 0 N-CA-C 115.652 1.021 . . . . 0.0 115.652 169.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -47.58 139.13 18.38 Favored 'Trans proline' 0 CA--C 1.537 0.65 0 C-N-CA 124.079 3.186 . . . . 0.0 116.718 -168.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.93 150.89 38.47 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.844 1.257 . . . . 0.0 113.373 173.537 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -94.45 -37.92 11.19 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 127.068 2.147 . . . . 0.0 112.723 -169.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.1 m -140.58 144.38 35.82 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.855 1.262 . . . . 0.0 110.415 175.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 1.8 t -143.29 131.43 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 125.436 1.494 . . . . 0.0 107.169 -178.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 85.1 t90 -147.1 147.91 31.06 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.998 0.919 . . . . 0.0 112.257 -168.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 1.4 m -141.97 153.11 18.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 O-C-N 121.593 -0.692 . . . . 0.0 109.604 169.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -81.25 160.31 24.3 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 114.584 1.327 . . . . 0.0 114.584 -170.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 23.8 mtm105 -68.24 -34.18 75.74 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 116.377 1.991 . . . . 0.0 116.377 -172.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 33.8 m120 -116.6 -38.47 0.07 OUTLIER Pre-proline 0 CA--C 1.549 0.941 0 N-CA-C 117.074 2.25 . . . . 0.0 117.074 -169.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -95.15 101.24 0.11 Allowed 'Trans proline' 0 CA--C 1.55 1.282 0 C-N-CA 123.591 2.86 . . . . 0.0 111.291 172.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -80.35 51.51 3.95 Favored 'Trans proline' 0 CA--C 1.547 1.161 0 C-N-CA 123.787 2.992 . . . . 0.0 113.491 -172.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -158.46 21.46 0.34 Allowed Glycine 0 N--CA 1.476 1.316 0 C-N-CA 124.946 1.26 . . . . 0.0 114.47 178.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -149.46 141.4 23.79 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 127.342 2.257 . . . . 0.0 108.431 -174.28 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -164.36 178.28 7.61 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 114.927 1.454 . . . . 0.0 114.927 -165.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -147.22 166.11 28.0 Favored 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 176.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.429 HG22 ' CD2' ' A' ' 94' ' ' PHE . 1.5 t -152.06 165.84 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 C-N-CA 126.439 1.896 . . . . 0.0 112.919 -173.474 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 56.4 tt0 -140.88 117.01 10.57 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 127.684 2.393 . . . . 0.0 108.105 167.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.4 ' CZ ' ' HB3' ' A' ' 94' ' ' PHE . 33.8 m-85 -79.58 159.0 27.0 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 119.692 1.133 . . . . 0.0 113.025 173.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -71.86 -19.25 61.99 Favored 'General case' 0 CA--C 1.548 0.875 0 O-C-N 121.455 -0.778 . . . . 0.0 112.151 174.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -137.67 124.78 13.68 Favored Pre-proline 0 CA--C 1.549 0.908 0 C-N-CA 126.975 2.11 . . . . 0.0 108.895 179.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -60.27 -24.84 78.56 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 122.651 2.234 . . . . 0.0 113.522 177.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -70.88 -31.33 67.96 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.049 0.84 . . . . 0.0 111.904 171.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -70.63 -40.1 73.3 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 120.004 1.275 . . . . 0.0 111.813 169.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.45 -43.0 83.57 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 119.152 0.887 . . . . 0.0 111.577 169.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.07 -48.75 75.0 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.163 0.585 . . . . 0.0 112.413 176.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -59.62 -42.34 92.47 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.288 1.035 . . . . 0.0 112.473 176.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.39 -54.97 24.44 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 118.83 -0.605 . . . . 0.0 109.694 177.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 37.5 t -50.89 -48.36 28.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 124.373 1.069 . . . . 0.0 112.472 175.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 7.1 ppt_? -69.45 -22.1 63.67 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 -176.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -111.27 -9.95 14.28 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 178.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 39.4 mt -90.02 -45.09 9.41 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.49 1.516 . . . . 0.0 112.499 172.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -61.43 130.05 44.15 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 113.704 1.002 . . . . 0.0 113.704 -169.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 65.43 38.39 94.83 Favored Glycine 0 CA--C 1.533 1.193 0 CA-C-O 119.129 -0.817 . . . . 0.0 114.533 169.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 22.7 mmt-85 -118.02 -56.97 2.14 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-N 118.28 1.04 . . . . 0.0 113.734 -173.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 16.9 m 138.07 128.08 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.13 1 C-N-CA 132.756 4.422 . . . . 0.0 107.859 -171.68 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -161.64 135.99 6.95 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 104.339 -2.467 . . . . 0.0 104.339 174.549 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 10.9 t 61.52 -62.91 0.09 Allowed 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 126.287 1.835 . . . . 0.0 111.027 -167.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 173.65 27.97 0.03 OUTLIER Glycine 0 CA--C 1.53 1.002 0 C-N-CA 124.926 1.251 . . . . 0.0 115.02 168.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -140.4 -169.75 2.84 Favored 'General case' 0 CA--C 1.55 0.975 0 CA-C-N 118.237 1.018 . . . . 0.0 112.37 -169.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.21 3.97 19.03 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 114.843 1.423 . . . . 0.0 114.843 -168.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . 0.27 3.6 p 36.34 70.79 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 128.748 2.819 . . . . 0.0 111.815 174.297 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.15 89.25 0.18 Allowed 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.774 2.029 . . . . 0.0 110.625 176.5 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 95.8 t -123.64 127.48 74.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 -171.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -153.24 167.75 28.28 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 121.211 -0.93 . . . . 0.0 111.869 -171.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 84.0 mt -75.51 134.2 40.84 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 120.514 -1.366 . . . . 0.0 109.245 169.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.21 130.13 42.24 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 -172.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 12.4 p-10 -132.43 -41.42 0.97 Allowed 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.583 1.153 . . . . 0.0 114.066 173.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 124.65 10.45 4.9 Favored Glycine 0 CA--C 1.54 1.626 0 C-N-CA 125.27 1.414 . . . . 0.0 115.824 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -62.17 137.8 58.31 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 116.458 2.021 . . . . 0.0 116.458 -169.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -143.66 4.48 1.34 Allowed 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 115.123 1.527 . . . . 0.0 115.123 177.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . 0.449 ' NH2' ' HD1' ' A' ' 59' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.058 0 C-N-CA 129.469 3.108 . . . . 0.0 108.977 -175.452 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 151' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.6 1 O4'-C1'-N19 112.791 4.591 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 152' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.298 2 P-O3'-C3' 127.648 6.623 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.886 3 N19-C1'-C2' 125.756 7.723 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.752 2 O4'-C1'-N19 114.391 6.191 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -92.23 143.34 26.52 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 120.694 -1.254 . . . . 0.0 113.265 -173.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.416 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 57.5 m-85 -125.14 159.73 30.8 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 127.72 2.408 . . . . 0.0 108.828 -178.454 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -111.24 160.81 16.63 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.941 1.296 . . . . 0.0 111.53 -179.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -146.27 137.22 24.35 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 126.202 1.801 . . . . 0.0 110.872 175.049 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mp -112.4 121.0 63.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 126.368 1.867 . . . . 0.0 110.767 172.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.1 mp -87.75 66.48 8.85 Favored 'General case' 0 C--O 1.223 -0.301 0 C-N-CA 127.131 2.172 . . . . 0.0 109.87 178.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 14.4 t30 -66.95 60.58 0.05 OUTLIER 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 127.095 2.158 . . . . 0.0 115.185 -173.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.86 -179.36 29.19 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 120.879 -1.138 . . . . 0.0 115.493 -179.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -58.93 -62.68 1.7 Allowed 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.645 1.578 . . . . 0.0 114.234 -169.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.8 m -124.95 -14.57 6.62 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 124.31 1.044 . . . . 0.0 112.801 -169.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.429 ' H ' HD23 ' A' ' 12' ' ' LEU . 2.6 pt? -109.39 -4.84 16.08 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.976 1.71 . . . . 0.0 114.793 -169.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.79 148.93 0.15 Allowed 'General case' 0 C--O 1.235 0.311 0 N-CA-C 117.275 2.324 . . . . 0.0 117.275 -168.771 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -168.65 -152.48 7.72 Favored Glycine 0 CA--C 1.527 0.806 0 CA-C-N 113.959 -1.473 . . . . 0.0 116.573 170.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -156.75 157.21 34.67 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.728 1.611 . . . . 0.0 112.318 -179.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.7 t -155.65 -173.82 4.7 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 126.054 1.742 . . . . 0.0 109.749 176.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 54.6 p -140.61 169.74 17.08 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.703 1.601 . . . . 0.0 110.609 176.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.6 t -153.9 151.47 29.51 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.989 0.916 . . . . 0.0 111.456 178.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -80.94 122.79 27.69 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 168.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -143.71 172.57 12.64 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.697 1.199 . . . . 0.0 114.159 -178.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.411 ' H ' ' HB ' ' A' ' 25' ' ' THR . 19.8 t -97.38 -15.72 7.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 124.302 1.041 . . . . 0.0 112.689 175.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.416 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR 0.253 3.4 t70 150.54 -157.67 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.554 1 C-N-CA 133.817 4.847 . . . . 0.0 107.329 173.615 . . . . . . . . 4 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.53 -20.57 3.04 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 120.982 1.719 . . . . 0.0 114.016 171.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.33 -9.1 21.7 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.658 1.183 . . . . 0.0 113.677 172.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.411 ' HB ' ' H ' ' A' ' 21' ' ' VAL . 85.9 m -136.14 -39.05 0.68 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.762 1.625 . . . . 0.0 112.395 176.602 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.6 -37.61 82.8 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.849 1.26 . . . . 0.0 110.754 179.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -74.73 3.14 8.46 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 177.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.87 20.88 3.52 Favored 'General case' 0 N--CA 1.464 0.244 0 O-C-N 120.669 -1.27 . . . . 0.0 112.003 175.776 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.4 p -124.96 -41.55 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 124.248 1.019 . . . . 0.0 112.222 176.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -67.95 -28.12 67.19 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 124.341 1.056 . . . . 0.0 113.026 173.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -55.27 -32.3 62.27 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.586 1.155 . . . . 0.0 113.054 175.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -81.93 -49.6 10.11 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.816 0.846 . . . . 0.0 110.492 179.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -62.04 -42.01 98.73 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.241 1.017 . . . . 0.0 112.137 -179.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.35 -49.84 75.99 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.884 0.874 . . . . 0.0 111.831 177.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -64.78 -22.99 67.1 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 175.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -79.47 -28.29 41.53 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 119.398 0.999 . . . . 0.0 113.034 176.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 52.4 m-80 -78.27 -42.48 30.87 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 167.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.91 -2.03 6.33 Favored Glycine 0 CA--C 1.533 1.174 0 C-N-CA 128.415 2.912 . . . . 0.0 115.269 169.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.1 t -75.91 140.66 16.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 CA-C-N 118.656 1.228 . . . . 0.0 110.023 176.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -161.29 62.48 0.27 Allowed 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 122.69 1.233 . . . . 0.0 113.54 168.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.427 ' H ' HG23 ' A' ' 54' ' ' VAL . . . -82.56 -153.75 13.37 Favored Glycine 0 CA--C 1.535 1.282 0 C-N-CA 125.495 1.522 . . . . 0.0 116.41 174.325 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.22 134.72 55.32 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.191 1.396 . . . . 0.0 109.948 170.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 75.7 m95 -99.34 120.09 39.01 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.989 0.915 . . . . 0.0 112.077 -177.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.83 159.46 23.03 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 127.889 2.476 . . . . 0.0 109.951 -173.638 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -156.38 165.61 35.82 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.138 1.375 . . . . 0.0 111.189 -176.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -145.59 160.61 41.4 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.452 1.901 . . . . 0.0 110.585 -175.74 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.424 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 29.6 t70 -129.67 0.33 4.91 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 -178.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -85.42 -28.73 24.9 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 121.575 -0.703 . . . . 0.0 110.648 169.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.2 p -134.15 -11.48 2.54 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.371 1.468 . . . . 0.0 113.064 -171.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.424 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 0.9 OUTLIER 63.18 45.8 4.93 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 126.191 1.796 . . . . 0.0 112.543 178.491 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 96.8 m -115.13 107.91 15.94 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.45 1.1 . . . . 0.0 111.776 -173.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -66.73 163.84 18.3 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 122.301 1.048 . . . . 0.0 110.69 168.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 51.6 m -148.57 154.23 39.47 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.093 1.357 . . . . 0.0 107.851 169.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.427 HG23 ' H ' ' A' ' 41' ' ' GLY . 12.8 p -133.81 105.28 7.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 C-N-CA 125.195 1.398 . . . . 0.0 109.759 172.43 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 79.2 m -105.68 103.49 13.01 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.03 0.932 . . . . 0.0 112.1 -169.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -54.41 133.98 45.66 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 126.267 1.827 . . . . 0.0 113.824 -172.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -97.49 -13.58 44.12 Favored Glycine 0 CA--C 1.537 1.429 0 C-N-CA 124.408 1.004 . . . . 0.0 114.4 177.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.2 m -74.67 29.49 0.09 Allowed 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.964 2.106 . . . . 0.0 114.39 -176.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -79.31 3.53 17.85 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 126.206 1.802 . . . . 0.0 114.562 -177.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -49.38 116.06 1.58 Allowed 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 126.332 1.853 . . . . 0.0 114.135 177.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 60.2 t60 -174.73 171.25 3.24 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 129.605 3.162 . . . . 0.0 108.937 169.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 21.1 p80 -147.8 164.59 33.16 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 119.884 1.22 . . . . 0.0 114.097 172.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -63.42 145.65 55.18 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.837 1.655 . . . . 0.0 112.693 176.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -133.98 15.54 3.89 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 124.76 1.224 . . . . 0.0 113.719 -178.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 23.2 ttm 61.26 22.13 12.52 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 125.297 1.439 . . . . 0.0 114.664 -174.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.458 ' CD2' ' HD3' ' A' ' 67' ' ' ARG . 35.1 p-80 -165.55 178.12 6.93 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 127.693 2.397 . . . . 0.0 109.379 173.683 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.458 ' HD3' ' CD2' ' A' ' 66' ' ' HIS 0.334 0.0 OUTLIER 41.71 -2.78 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 121.657 3.947 . . . . 0.0 121.657 179.112 . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -125.86 -1.12 7.26 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 126.081 1.752 . . . . 0.0 114.071 -173.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 52.0 m -135.77 -174.6 3.7 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 127.419 2.288 . . . . 0.0 110.289 -170.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 77.4 m -49.12 133.52 15.84 Favored Pre-proline 0 CA--C 1.556 1.188 0 CA-C-O 116.793 -1.575 . . . . 0.0 110.175 169.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_exo -52.24 49.29 0.02 OUTLIER 'Trans proline' 0 CA--C 1.557 1.667 1 C-N-CA 127.426 5.417 . . . . 0.0 122.269 -171.247 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.9 20.95 0.06 Allowed 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 126.553 1.941 . . . . 0.0 114.544 169.477 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -61.45 -1.24 0.5 Allowed 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 126.842 2.057 . . . . 0.0 115.685 -175.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 15.1 t -62.81 -10.38 12.85 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 124.477 1.111 . . . . 0.0 112.341 168.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.35 127.02 6.92 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 126.758 2.023 . . . . 0.0 110.592 169.55 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 92.5 t -103.11 135.22 41.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 124.131 0.972 . . . . 0.0 110.352 -170.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -93.35 149.91 20.87 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 124.765 1.226 . . . . 0.0 110.104 169.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -151.9 145.43 15.92 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.281 0 CA-C-O 122.503 1.144 . . . . 0.0 112.241 171.734 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -139.77 144.95 15.76 Favored Glycine 0 N--CA 1.468 0.83 0 N-CA-C 109.143 -1.583 . . . . 0.0 109.143 168.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -151.03 152.47 33.53 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 118.469 1.134 . . . . 0.0 113.95 -168.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.1 tp 62.49 -45.83 0.18 Allowed 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 130.2 3.4 . . . . 0.0 113.265 -168.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 134.23 -27.28 3.29 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 127.628 2.537 . . . . 0.0 111.209 -170.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -154.45 27.59 0.45 Allowed 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 125.875 1.67 . . . . 0.0 113.648 -175.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -107.98 152.29 24.67 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 119.742 1.156 . . . . 0.0 113.186 -176.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -156.92 60.93 0.34 Allowed Glycine 0 CA--C 1.529 0.913 0 C-N-CA 125.584 1.564 . . . . 0.0 111.961 -170.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -128.91 125.84 38.42 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.211 1.405 . . . . 0.0 109.214 173.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.5 ptmm? -63.37 -33.71 76.14 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 115.804 1.779 . . . . 0.0 115.804 -175.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.9 m -71.8 -34.75 69.63 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 116.108 1.892 . . . . 0.0 116.108 -167.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -68.48 -48.32 64.78 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 120.562 1.528 . . . . 0.0 110.732 175.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.4 pp -64.85 -33.82 76.92 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 119.57 -0.852 . . . . 0.0 111.82 176.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -57.99 -50.32 73.79 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.011 1.324 . . . . 0.0 112.12 175.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.6 -40.82 93.1 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 119.056 0.843 . . . . 0.0 110.878 174.111 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.21 -42.95 96.22 Favored 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 123.354 0.661 . . . . 0.0 111.795 -178.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.414 ' HB3' ' CZ ' ' A' ' 117' ' ' PHE . 11.7 m-85 -72.05 -62.77 1.31 Allowed 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 125.049 1.34 . . . . 0.0 112.104 175.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -56.31 -20.73 30.46 Favored Glycine 0 CA--C 1.545 1.948 0 N-CA-C 115.415 0.926 . . . . 0.0 115.415 -178.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -53.76 -51.14 64.34 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.796 1.638 . . . . 0.0 113.016 168.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -70.06 -40.75 74.87 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.647 0.779 . . . . 0.0 111.348 178.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -174.35 163.82 34.67 Favored Glycine 0 N--CA 1.472 1.098 0 CA-C-O 118.625 -1.097 . . . . 0.0 113.816 169.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -65.11 128.65 21.05 Favored 'Trans proline' 0 CA--C 1.533 0.442 0 CA-C-N 120.852 2.326 . . . . 0.0 114.36 -168.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 16.7 mt -65.04 154.31 38.15 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.506 1.522 . . . . 0.0 112.156 170.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -108.81 -31.11 7.82 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 126.432 1.893 . . . . 0.0 111.113 171.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 11.5 p -155.64 155.76 33.82 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.472 1.109 . . . . 0.0 111.565 168.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 67.6 t -138.3 135.38 44.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 125.281 1.432 . . . . 0.0 108.677 172.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 83.5 t90 -144.92 142.89 30.24 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 125.045 1.338 . . . . 0.0 111.342 -178.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 1.8 m -141.0 149.94 20.55 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 168.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.05 151.54 22.04 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 116.284 1.957 . . . . 0.0 116.284 -169.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -50.84 -29.25 11.29 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 117.876 2.547 . . . . 0.0 117.876 -169.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -153.37 -56.08 0.02 OUTLIER Pre-proline 0 CA--C 1.55 0.956 0 N-CA-C 114.876 1.435 . . . . 0.0 114.876 176.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -73.46 122.1 7.64 Favored 'Trans proline' 0 CA--C 1.545 1.025 0 C-N-CA 122.002 1.801 . . . . 0.0 111.336 -175.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -81.7 152.12 17.16 Favored 'Trans proline' 0 CA--C 1.542 0.918 0 C-N-CA 122.756 2.304 . . . . 0.0 112.624 -176.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 159.31 -30.1 0.41 Allowed Glycine 0 CA--C 1.533 1.2 0 C-N-CA 124.652 1.12 . . . . 0.0 114.397 169.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -147.21 176.37 10.02 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 125.445 1.498 . . . . 0.0 112.029 -172.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -170.33 174.81 5.1 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 125.686 1.594 . . . . 0.0 113.108 -167.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -147.83 150.2 33.73 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 113.234 0.827 . . . . 0.0 113.234 172.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 11.4 m -140.24 172.74 11.51 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.302 0 O-C-N 120.99 -1.069 . . . . 0.0 113.759 177.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -140.97 144.86 35.35 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 126.554 1.941 . . . . 0.0 108.504 171.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.414 ' CZ ' ' HB3' ' A' ' 94' ' ' PHE . 42.2 m-85 -116.04 158.27 23.4 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.352 1.061 . . . . 0.0 112.911 178.216 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 25.4 tp10 -74.49 -37.03 63.26 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -176.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -115.12 127.75 26.55 Favored Pre-proline 0 CA--C 1.544 0.744 0 C-N-CA 125.002 1.321 . . . . 0.0 107.804 169.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -49.09 -27.69 12.7 Favored 'Trans proline' 0 CA--C 1.537 0.671 0 C-N-CA 123.563 2.842 . . . . 0.0 114.698 169.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -26.81 65.42 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.064 0.946 . . . . 0.0 113.072 171.569 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -66.35 -47.26 74.03 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 119.473 1.033 . . . . 0.0 109.815 169.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.27 -39.84 88.25 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.207 0.603 . . . . 0.0 111.697 174.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.94 -48.52 73.8 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.496 0.719 . . . . 0.0 112.657 175.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -56.13 -45.9 79.41 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 119.228 0.922 . . . . 0.0 111.126 173.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.73 -58.25 8.77 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 124.164 0.985 . . . . 0.0 110.226 -179.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 39.2 t -51.36 -42.56 27.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 124.832 1.253 . . . . 0.0 112.318 175.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -65.68 -23.98 66.9 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.084 1.354 . . . . 0.0 113.762 -179.071 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -111.94 -14.2 13.52 Favored 'General case' 0 CA--C 1.552 1.044 0 N-CA-C 115.076 1.51 . . . . 0.0 115.076 173.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 73.9 mt -102.2 -4.98 24.91 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.124 1.77 . . . . 0.0 115.095 -174.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -56.73 168.77 0.56 Allowed 'General case' 0 CA--C 1.55 0.955 0 CA-C-N 119.549 1.068 . . . . 0.0 113.387 174.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -34.12 16.11 0.0 OUTLIER Glycine 0 N--CA 1.492 2.369 2 C-N-CA 133.29 5.233 . . . . 0.0 124.504 -172.132 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 31.9 mtt180 -69.87 -65.22 0.75 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 129.584 3.154 . . . . 0.0 109.512 177.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.3 t 170.73 173.51 0.07 Allowed 'General case' 0 CA--C 1.539 0.536 1 C-N-CA 132.423 4.289 . . . . 0.0 109.002 169.324 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 57.6 tp -149.91 -58.96 0.2 Allowed 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.328 1.051 . . . . 0.0 111.519 169.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 71.6 m -75.09 -17.12 60.51 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 175.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 114.94 31.47 2.08 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 124.657 1.122 . . . . 0.0 115.515 169.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 44.9 t -149.36 -73.75 0.17 Allowed 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 117.98 0.89 . . . . 0.0 109.731 169.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -126.66 158.78 35.47 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 126.093 1.757 . . . . 0.0 113.257 170.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 3.7 p -143.37 163.52 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.877 1.271 . . . . 0.0 110.85 167.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 35.4 mtp180 -143.37 132.57 23.17 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 129.315 3.046 . . . . 0.0 105.703 168.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 73.5 t -148.26 116.72 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-N 120.023 1.283 . . . . 0.0 108.371 173.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -142.53 -170.15 3.14 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.595 1.158 . . . . 0.0 110.562 -169.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 77.6 mt -103.03 146.68 27.99 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 120.765 -1.209 . . . . 0.0 109.245 168.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 58.7 m -53.33 126.62 21.8 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.569 1.148 . . . . 0.0 113.553 -174.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -154.08 108.3 3.02 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 128.42 2.688 . . . . 0.0 109.307 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -154.49 165.28 31.88 Favored Glycine 0 CA--C 1.537 1.42 0 N-CA-C 115.615 1.006 . . . . 0.0 115.615 -176.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -166.4 121.58 1.18 Allowed 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 127.451 2.3 . . . . 0.0 109.298 -175.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 21.8 mtmm -155.53 150.4 26.47 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 126.59 1.956 . . . . 0.0 111.22 169.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.177 0 C-N-CA 129.028 2.931 . . . . 0.0 111.219 176.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 151' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.475 1 O4'-C1'-N19 112.558 4.358 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 152' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.479 1 P-O3'-C3' 126.59 5.741 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.6 2 N19-C1'-C2' 125.088 7.305 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.674 1 O4'-C1'-N19 113.966 5.766 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.486 1.334 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -90.47 140.81 29.38 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 120.075 1.307 . . . . 0.0 112.286 178.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.433 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 94.5 m-85 -127.62 152.64 47.4 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 127.28 2.232 . . . . 0.0 108.799 -177.675 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -109.46 164.77 12.2 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.776 1.23 . . . . 0.0 111.638 -179.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -147.71 138.08 23.06 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 127.152 2.181 . . . . 0.0 110.717 178.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.6 mp -118.43 114.43 45.0 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 C-N-CA 126.652 1.981 . . . . 0.0 110.728 172.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.9 mt -85.84 67.65 10.1 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 126.896 2.078 . . . . 0.0 111.342 172.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 39.8 m-20 -53.22 104.23 0.09 Allowed 'General case' 0 CA--C 1.56 1.333 0 O-C-N 120.775 -1.203 . . . . 0.0 114.174 173.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -153.37 137.36 5.75 Favored Glycine 0 CA--C 1.542 1.761 0 O-C-N 120.38 -1.45 . . . . 0.0 114.171 169.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -45.05 -52.09 9.37 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 116.461 2.023 . . . . 0.0 116.461 -169.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.1 p -100.51 -0.8 37.18 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.957 0.903 . . . . 0.0 113.305 -170.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -146.59 -1.31 0.71 Allowed 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 117.283 2.327 . . . . 0.0 117.283 -167.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.59 145.83 0.59 Allowed 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 115.025 1.491 . . . . 0.0 115.025 -169.146 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -163.68 -164.18 18.21 Favored Glycine 0 CA--C 1.521 0.416 0 N-CA-C 116.79 1.476 . . . . 0.0 116.79 171.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -157.54 159.75 37.48 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 126.122 1.769 . . . . 0.0 111.406 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.4 t -154.77 -175.95 5.68 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 125.736 1.615 . . . . 0.0 109.94 174.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 72.9 p -141.1 170.64 15.34 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 125.68 1.592 . . . . 0.0 110.302 174.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.4 t -157.05 153.53 28.06 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 121.327 -0.858 . . . . 0.0 111.827 172.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -81.37 120.13 24.57 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 167.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -143.24 175.45 9.88 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.915 1.686 . . . . 0.0 112.403 -176.043 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 66.3 t -77.83 -47.47 25.37 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 O-C-N 121.481 -0.762 . . . . 0.0 110.476 169.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.433 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 4.0 t70 176.32 -158.02 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 130.33 3.452 . . . . 0.0 106.412 -177.595 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.02 -20.2 2.29 Favored 'General case' 0 CA--C 1.547 0.853 0 O-C-N 120.239 -1.538 . . . . 0.0 113.957 169.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.4 -8.28 24.76 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.087 1.355 . . . . 0.0 113.821 173.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.3 m -137.69 -36.26 0.63 Allowed 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.802 1.641 . . . . 0.0 112.28 175.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.55 -37.38 87.37 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.779 1.231 . . . . 0.0 110.758 176.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -74.82 4.39 6.49 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 178.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.48 16.81 4.42 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 120.426 -1.421 . . . . 0.0 111.869 173.743 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.8 t -118.14 -51.23 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 125.36 1.464 . . . . 0.0 110.243 178.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -62.46 -25.72 68.14 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 177.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -57.31 -27.03 61.81 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.97 1.708 . . . . 0.0 113.537 174.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -79.39 -57.74 3.55 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 175.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -57.4 -41.4 80.22 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.916 0.886 . . . . 0.0 112.67 -177.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.17 -49.28 78.24 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 124.157 0.983 . . . . 0.0 112.532 179.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -65.01 -25.31 67.8 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 178.17 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -80.91 -27.87 36.07 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 59.8 m-80 -81.17 -37.74 28.25 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 168.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.3 9.64 10.28 Favored Glycine 0 CA--C 1.534 1.27 0 C-N-CA 127.911 2.672 . . . . 0.0 115.681 169.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 60.6 t -84.94 149.83 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 124.376 1.07 . . . . 0.0 110.574 170.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -161.69 32.7 0.13 Allowed 'General case' 0 CA--C 1.555 1.138 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 169.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.08 -131.69 0.38 Allowed Glycine 0 CA--C 1.545 1.968 0 N-CA-C 117.364 1.705 . . . . 0.0 117.364 -173.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -69.7 81.5 0.43 Allowed 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.111 1.364 . . . . 0.0 113.126 -174.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 72.5 m95 -60.4 108.22 0.78 Allowed 'General case' 0 N--CA 1.466 0.345 0 O-C-N 120.191 -1.568 . . . . 0.0 110.449 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.82 164.41 20.08 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 126.607 1.963 . . . . 0.0 111.271 -172.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -149.27 156.95 42.9 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.095 1.358 . . . . 0.0 110.657 175.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -126.78 124.07 38.86 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 125.233 1.413 . . . . 0.0 108.355 171.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.432 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.8 OUTLIER -84.77 -7.07 59.34 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 114.104 1.15 . . . . 0.0 114.104 -173.377 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -101.41 -29.05 12.24 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.333 1.453 . . . . 0.0 112.097 -177.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.8 t -113.22 2.05 15.45 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.496 0.718 . . . . 0.0 112.839 171.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.432 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 4.6 mmpt? 53.95 40.38 31.52 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.009 1.724 . . . . 0.0 112.47 169.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 73.0 m -125.12 114.23 18.76 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.047 1.339 . . . . 0.0 110.096 -170.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -67.47 161.19 25.95 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.538 1.135 . . . . 0.0 111.889 169.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.0 m -146.09 158.95 43.89 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 125.546 1.539 . . . . 0.0 107.834 169.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.3 p -153.98 94.15 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 124.979 1.312 . . . . 0.0 110.087 176.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 28.9 m -88.17 108.09 19.1 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.191 0.996 . . . . 0.0 110.95 -178.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.46 161.27 2.71 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.477 1.511 . . . . 0.0 112.636 174.353 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -120.25 -36.02 0.83 Allowed Glycine 0 CA--C 1.53 0.985 0 C-N-CA 124.402 1.001 . . . . 0.0 113.813 178.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.3 p -66.91 -33.82 76.43 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.258 1.529 . . . . 0.0 112.853 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -76.0 -7.2 54.09 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 172.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 35.2 m170 -118.6 2.79 11.76 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.914 1.286 . . . . 0.0 114.144 -177.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 20.5 p-80 -57.81 -22.08 45.57 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 175.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -122.88 35.08 4.96 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 127.12 2.168 . . . . 0.0 112.507 -179.067 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . 0.327 0.0 OUTLIER 44.87 152.84 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.135 1 C-N-CA 131.916 4.086 . . . . 0.0 118.676 -175.227 . . . . . . . . 4 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -68.49 -32.62 72.72 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 120.653 -1.28 . . . . 0.0 112.985 -172.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 67.8 mmm -146.77 158.56 43.94 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.854 1.662 . . . . 0.0 112.565 -178.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.426 ' CD2' ' HE ' ' A' ' 67' ' ' ARG . 2.4 t60 -143.48 142.85 31.33 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 127.558 2.343 . . . . 0.0 108.446 -175.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.426 ' HE ' ' CD2' ' A' ' 66' ' ' HIS . 1.2 mpt_? 59.01 -13.39 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 127.849 2.46 . . . . 0.0 117.414 -169.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.269 3.8 p30 40.06 -126.25 0.41 Allowed 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 126.514 1.926 . . . . 0.0 113.779 -175.704 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 42.6 m -152.36 12.4 0.55 Allowed 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 125.455 1.502 . . . . 0.0 113.931 -179.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 52.8 t -124.98 146.01 52.1 Favored Pre-proline 0 CA--C 1.543 0.697 0 C-N-CA 126.255 1.822 . . . . 0.0 109.823 -177.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -50.4 -34.94 43.19 Favored 'Trans proline' 0 CA--C 1.54 0.775 0 C-N-CA 122.626 2.217 . . . . 0.0 113.867 169.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.6 tp 71.79 -21.21 0.22 Allowed 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 127.502 2.321 . . . . 0.0 115.155 178.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 60.73 -23.81 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 130.12 3.368 . . . . 0.0 119.184 168.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 26.0 p -68.6 -21.98 64.48 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 120.603 1.547 . . . . 0.0 113.149 170.127 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 36.4 mttm -85.79 131.83 34.24 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 126.532 1.933 . . . . 0.0 108.793 174.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . 0.252 0.2 OUTLIER -145.12 162.49 13.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 CA-C-O 122.83 1.3 . . . . 0.0 111.002 -169.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -125.51 145.54 50.05 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 128.414 2.686 . . . . 0.0 109.211 -175.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.9 p -143.18 136.69 25.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 122.925 0.49 . . . . 0.0 110.83 170.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -158.38 179.5 34.01 Favored Glycine 0 N--CA 1.466 0.7 0 N-CA-C 117.259 1.664 . . . . 0.0 117.259 178.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 29.3 t30 55.34 38.37 30.23 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 126.344 1.857 . . . . 0.0 112.518 -168.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 52.3 tp -87.39 -22.1 25.23 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 127.824 2.45 . . . . 0.0 114.294 -174.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 116.52 -171.95 14.01 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 125.13 1.348 . . . . 0.0 112.679 -175.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.3 -6.03 8.75 Favored 'General case' 0 CA--C 1.552 1.038 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 -179.365 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -72.12 64.94 0.56 Allowed 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 125.053 1.341 . . . . 0.0 114.272 -178.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -77.71 41.69 1.94 Allowed Glycine 0 CA--C 1.534 1.226 0 C-N-CA 125.807 1.67 . . . . 0.0 112.036 169.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -132.01 100.65 5.13 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 126.52 1.928 . . . . 0.0 108.078 -179.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.7 ptmm? -46.09 -28.19 1.14 Allowed 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 116.565 2.061 . . . . 0.0 116.565 -169.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 37.6 m -45.38 -49.18 13.27 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 126.165 1.786 . . . . 0.0 114.802 -170.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -75.97 -46.81 27.72 Favored 'General case' 0 CA--C 1.533 0.304 0 O-C-N 121.328 -0.857 . . . . 0.0 111.964 -177.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.4 pp -64.4 -29.73 70.78 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 119.19 0.905 . . . . 0.0 112.042 176.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -67.22 -43.5 81.87 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.818 1.647 . . . . 0.0 111.7 176.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.3 ppt_? -68.81 -36.93 78.83 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 119.443 1.019 . . . . 0.0 111.27 169.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.14 -37.27 86.54 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 119.337 0.972 . . . . 0.0 111.958 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -72.75 -65.18 0.83 Allowed 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 125.624 1.57 . . . . 0.0 111.489 172.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.49 -14.79 29.43 Favored Glycine 0 CA--C 1.543 1.824 0 N-CA-C 115.991 1.156 . . . . 0.0 115.991 -178.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -54.14 -48.51 70.76 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.729 1.612 . . . . 0.0 111.827 167.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -64.91 -49.41 70.55 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.641 0.776 . . . . 0.0 109.44 172.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 176.03 166.32 33.22 Favored Glycine 0 N--CA 1.473 1.163 0 N-CA-C 115.741 1.057 . . . . 0.0 115.741 169.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -48.89 151.54 5.43 Favored 'Trans proline' 0 CA--C 1.535 0.539 0 C-N-CA 123.981 3.121 . . . . 0.0 117.943 -168.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 13.6 mt -116.23 132.88 56.54 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 127.443 2.297 . . . . 0.0 109.68 -170.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 85.8 mtm-85 -81.43 -35.84 30.15 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.265 0.626 . . . . 0.0 112.46 170.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.7 m -158.52 155.92 29.29 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.742 1.217 . . . . 0.0 112.155 175.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 88.4 t -141.76 134.05 28.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 C-N-CA 125.988 1.715 . . . . 0.0 106.901 169.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 80.6 t90 -136.06 133.91 37.89 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 125.252 1.421 . . . . 0.0 109.3 -177.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.4 m -137.58 143.88 32.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 O-C-N 121.428 -0.795 . . . . 0.0 110.575 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -80.83 103.09 10.43 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.371 0.669 . . . . 0.0 110.192 179.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -64.71 -32.96 74.87 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.846 1.258 . . . . 0.0 111.986 175.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -67.83 141.27 94.61 Favored Pre-proline 0 CA--C 1.55 0.943 0 C-N-CA 125.699 1.599 . . . . 0.0 109.035 168.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 0.3 OUTLIER 19.99 68.07 0.0 OUTLIER 'Trans proline' 0 CA--C 1.547 1.154 1 C-N-CA 126.76 4.974 . . . . 0.0 116.878 -172.16 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -68.24 157.12 63.17 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 123.885 3.057 . . . . 0.0 113.355 -169.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 160.61 -26.04 0.29 Allowed Glycine 0 CA--C 1.532 1.131 0 C-N-CA 125.304 1.431 . . . . 0.0 112.986 -173.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . 0.255 0.2 OUTLIER -133.06 175.82 9.04 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.758 1.623 . . . . 0.0 112.843 175.834 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -164.68 163.97 21.47 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.922 2.089 . . . . 0.0 111.082 -169.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -133.59 156.78 47.23 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.121 1.369 . . . . 0.0 110.863 -178.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -154.65 151.34 10.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 O-C-N 121.386 -0.821 . . . . 0.0 112.074 -168.708 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 53.4 tt0 -138.45 114.11 9.79 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.026 1.33 . . . . 0.0 109.988 169.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -79.68 160.74 26.19 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.634 1.174 . . . . 0.0 113.386 176.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -67.28 -31.74 72.26 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.54 0.736 . . . . 0.0 112.706 171.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -129.57 124.88 22.14 Favored Pre-proline 0 CA--C 1.547 0.844 0 C-N-CA 126.144 1.778 . . . . 0.0 109.589 -174.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -48.57 -29.89 15.01 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 123.609 2.873 . . . . 0.0 114.85 170.255 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -77.04 -27.6 54.54 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.824 0.85 . . . . 0.0 112.63 175.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -68.55 -43.06 77.46 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 120.27 1.396 . . . . 0.0 110.263 168.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.63 -37.46 78.71 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 118.886 -0.578 . . . . 0.0 112.267 169.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.06 -46.31 81.71 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 119.634 1.106 . . . . 0.0 112.823 174.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -57.31 -42.12 81.21 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.166 0.894 . . . . 0.0 111.79 174.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.71 -52.83 62.66 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.5 0.72 . . . . 0.0 111.486 172.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 38.1 t -58.8 -15.8 7.14 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 126.379 1.872 . . . . 0.0 114.272 175.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.76 9.09 12.88 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 125.512 1.525 . . . . 0.0 114.838 178.238 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -135.62 -28.87 1.08 Allowed 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 115.397 1.628 . . . . 0.0 115.397 168.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 96.1 mt -85.5 -9.51 57.33 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.432 1.493 . . . . 0.0 113.216 176.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -68.23 162.83 24.13 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.575 1.95 . . . . 0.0 115.99 -175.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 41.88 -11.53 0.0 OUTLIER Glycine 0 N--CA 1.478 1.457 2 N-CA-C 124.543 4.577 . . . . 0.0 124.543 168.249 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 48.1 mtm-85 -106.91 -78.09 0.59 Allowed 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 121.087 2.443 . . . . 0.0 110.81 -169.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -176.0 176.33 1.79 Allowed 'General case' 0 C--O 1.235 0.313 0 C-N-CA 128.785 2.834 . . . . 0.0 108.727 176.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -151.78 -58.27 0.15 Allowed 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.559 0.744 . . . . 0.0 110.767 172.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 47.6 t -86.34 -51.21 6.38 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.181 0.593 . . . . 0.0 110.546 173.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 160.64 57.19 0.01 OUTLIER Glycine 0 C--N 1.343 0.972 0 N-CA-C 115.841 1.097 . . . . 0.0 115.841 175.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 8.2 t -145.3 -129.39 0.08 Allowed 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.441 1.096 . . . . 0.0 111.894 171.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.62 59.07 1.71 Allowed 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 127.223 2.209 . . . . 0.0 109.648 -174.059 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -58.05 159.59 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 C-N-CA 128.312 2.645 . . . . 0.0 113.748 -169.302 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.16 143.84 23.57 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 128.223 2.609 . . . . 0.0 107.492 177.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 95.7 t -142.63 128.81 17.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 N-CA-C 107.853 -1.166 . . . . 0.0 107.853 -169.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -138.54 169.6 17.51 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 119.139 0.881 . . . . 0.0 111.565 -178.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -104.82 151.76 23.42 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 120.915 -1.116 . . . . 0.0 111.772 176.401 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.6 p -33.69 97.98 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 128.178 2.591 . . . . 0.0 116.392 -173.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -151.0 36.55 0.61 Allowed 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 125.2 1.4 . . . . 0.0 112.181 179.213 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -133.9 -51.09 0.08 OUTLIER Glycine 0 CA--C 1.535 1.318 0 C-N-CA 125.38 1.467 . . . . 0.0 113.599 -176.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -144.11 -59.92 0.39 Allowed 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.924 0.89 . . . . 0.0 111.321 169.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . 0.323 0.1 OUTLIER 57.85 166.91 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 129.238 3.015 . . . . 0.0 114.014 -169.127 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 . . . . . 0 C--O 1.253 1.238 0 CA-C-O 117.396 -1.288 . . . . 0.0 110.914 -169.236 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 151' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.025 0 C2'-C3'-O3' 121.944 3.909 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 152' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.687 3 O4'-C1'-N19 114.16 5.96 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.834 3 C3'-C2'-C1' 105.895 4.883 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.864 2 O4'-C1'-N19 113.902 5.702 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ptt? . . . . . 0 N--CA 1.485 1.313 0 N-CA-C 110.713 -0.106 . . . . 0.0 110.713 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -83.43 144.36 29.65 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 120.69 -1.256 . . . . 0.0 112.606 179.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.429 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 85.3 m-85 -126.8 156.52 41.14 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 127.791 2.436 . . . . 0.0 108.851 177.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -108.89 160.32 16.09 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.965 1.306 . . . . 0.0 111.544 -179.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 18.1 tp -141.75 137.77 31.85 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 126.481 1.912 . . . . 0.0 109.442 171.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mp -111.93 139.96 33.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 126.128 1.771 . . . . 0.0 107.584 169.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.3 mp -123.23 66.96 0.99 Allowed 'General case' 0 N--CA 1.444 -0.748 0 C-N-CA 128.994 2.917 . . . . 0.0 108.214 -177.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -60.42 37.08 0.01 OUTLIER 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 126.747 2.019 . . . . 0.0 115.653 174.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.39 96.45 0.56 Allowed Glycine 0 CA--C 1.523 0.569 0 O-C-N 119.992 -1.692 . . . . 0.0 111.857 176.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.6 tttm -7.13 -65.98 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 129.235 3.014 . . . . 0.0 116.677 178.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 80.1 m -83.7 -23.21 31.77 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -169.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.3 pp -119.37 -24.21 6.44 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 115.59 1.7 . . . . 0.0 115.59 -168.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 0.75 140.39 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.101 1 C-N-CA 133.002 4.521 . . . . 0.0 121.375 -169.502 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -171.86 -158.52 16.14 Favored Glycine 0 CA--C 1.537 1.43 0 N-CA-C 118.778 2.271 . . . . 0.0 118.778 169.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -156.77 161.55 39.78 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 126.71 2.004 . . . . 0.0 112.733 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.7 t -160.28 -175.78 5.25 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 126.97 2.108 . . . . 0.0 110.839 -177.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 67.2 p -144.66 170.58 15.81 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 126.313 1.845 . . . . 0.0 111.246 175.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.2 t -156.63 150.5 24.88 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.065 0.946 . . . . 0.0 111.621 171.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.3 tp10 -76.31 120.01 20.98 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 167.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -140.9 175.13 9.86 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.174 1.39 . . . . 0.0 112.972 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 90.0 t -78.7 -47.42 23.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 O-C-N 121.283 -0.885 . . . . 0.0 110.685 169.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.429 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 5.2 t70 176.22 -156.48 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 131.184 3.794 . . . . 0.0 106.083 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.76 -20.18 2.02 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 120.937 1.699 . . . . 0.0 114.004 169.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.69 -7.93 18.07 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.581 1.152 . . . . 0.0 113.733 172.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 52.1 m -138.9 -39.13 0.5 Allowed 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.9 1.68 . . . . 0.0 112.249 176.1 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.86 -39.56 90.87 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.071 1.348 . . . . 0.0 110.86 178.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -73.9 2.14 9.2 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 178.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.33 19.43 4.83 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 125.101 1.36 . . . . 0.0 111.708 173.448 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.2 t -121.09 -51.95 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 125.285 1.434 . . . . 0.0 109.943 177.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -60.72 -28.65 68.83 Favored 'General case' 0 C--O 1.224 -0.247 0 C-N-CA 123.245 0.618 . . . . 0.0 112.585 176.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -54.78 -31.08 58.36 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.482 1.113 . . . . 0.0 113.084 176.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -83.94 -49.97 8.47 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.46 0.704 . . . . 0.0 110.825 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -62.46 -40.35 96.35 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.156 0.982 . . . . 0.0 111.736 179.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.49 -42.87 95.6 Favored 'General case' 0 N--CA 1.452 -0.351 0 O-C-N 121.19 -0.944 . . . . 0.0 112.549 178.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -67.56 -21.08 65.46 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 172.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -82.13 -30.37 31.15 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.428 1.013 . . . . 0.0 112.864 175.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -75.31 -43.47 50.68 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 168.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.05 3.5 8.18 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 128.753 3.073 . . . . 0.0 114.817 169.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.6 t -81.23 140.8 16.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 CA-C-N 118.528 1.164 . . . . 0.0 110.634 -179.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -159.54 47.65 0.29 Allowed 'General case' 0 CA--C 1.554 1.1 0 CA-C-O 122.286 1.041 . . . . 0.0 113.131 171.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -89.98 -130.29 4.17 Favored Glycine 0 CA--C 1.539 1.56 0 C-N-CA 125.27 1.414 . . . . 0.0 114.668 176.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -67.53 82.94 0.17 Allowed 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 124.947 1.299 . . . . 0.0 114.028 -172.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -63.34 104.0 0.56 Allowed 'General case' 0 N--CA 1.471 0.579 0 O-C-N 119.907 -1.746 . . . . 0.0 110.747 177.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 64.7 m -128.06 161.42 29.24 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 127.385 2.274 . . . . 0.0 109.46 -169.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -156.07 164.49 38.36 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.854 1.661 . . . . 0.0 110.301 -174.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -142.71 153.21 43.15 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.131 1.772 . . . . 0.0 110.205 -173.348 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.404 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -124.83 5.12 8.08 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 -177.388 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -93.15 -29.74 15.59 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.926 1.291 . . . . 0.0 110.486 169.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -130.41 -7.87 4.2 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.572 0.952 . . . . 0.0 113.572 -176.23 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.404 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 1.7 mmpt? 60.56 45.52 10.46 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.048 1.739 . . . . 0.0 112.763 179.327 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 72.4 m -119.11 111.76 18.67 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.072 0.949 . . . . 0.0 111.538 -173.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -65.37 159.92 23.01 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 122.059 0.933 . . . . 0.0 111.361 168.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.8 m -146.45 150.55 35.83 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 125.35 1.46 . . . . 0.0 108.35 170.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.3 p -146.94 122.99 2.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 C-N-CA 126.181 1.793 . . . . 0.0 107.872 173.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.8 m -126.53 99.22 5.72 Favored 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -169.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.42 146.91 24.97 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.61 0.764 . . . . 0.0 111.108 169.314 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -148.22 -14.63 0.12 Allowed Glycine 0 CA--C 1.536 1.377 0 C-N-CA 125.205 1.383 . . . . 0.0 116.1 174.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.5 m -168.0 -11.75 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.237 0 CA-C-N 120.053 1.926 . . . . 0.0 115.503 -179.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 54.8 m80 -62.5 -24.6 67.57 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 120.387 1.449 . . . . 0.0 112.94 -178.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 28.3 t-80 -61.46 99.08 0.1 Allowed 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.711 1.204 . . . . 0.0 109.45 168.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 19.5 t-80 -55.11 -36.74 66.02 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.107 1.363 . . . . 0.0 113.648 -173.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -84.82 23.44 1.18 Allowed 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.774 1.23 . . . . 0.0 114.069 -172.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -53.19 -31.57 43.61 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 121.197 -0.939 . . . . 0.0 112.285 168.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -148.2 148.08 30.13 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.562 1.545 . . . . 0.0 110.517 168.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.5 mtp -176.72 -49.39 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 126.99 2.116 . . . . 0.0 109.285 171.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -158.56 137.78 11.54 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 127.637 2.375 . . . . 0.0 108.511 174.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.86 118.04 7.3 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.206 1.003 . . . . 0.0 108.808 175.6 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.1 p30 -134.88 -40.09 0.77 Allowed 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.333 1.853 . . . . 0.0 111.79 -172.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.2 m -159.01 132.11 7.13 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 127.396 2.278 . . . . 0.0 108.889 169.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 18.2 p -122.83 144.75 43.6 Favored Pre-proline 0 CA--C 1.549 0.92 0 C-N-CA 124.769 1.228 . . . . 0.0 111.367 -177.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.17 -37.61 1.42 Allowed 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 122.608 2.205 . . . . 0.0 113.794 -169.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.57 147.21 27.7 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.253 1.421 . . . . 0.0 113.318 178.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . 0.257 65.4 m-20 -85.02 28.25 0.72 Allowed 'General case' 0 N--CA 1.478 0.926 0 O-C-N 120.421 -1.424 . . . . 0.0 114.635 -171.301 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 77.6 m -65.67 -16.52 63.82 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.621 1.568 . . . . 0.0 112.758 168.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 11.0 ptpp? -58.27 55.07 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 131.085 3.754 . . . . 0.0 116.172 -177.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.7 t -66.37 141.59 17.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 O-C-N 120.763 -1.211 . . . . 0.0 110.677 175.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -97.94 156.89 16.41 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 125.039 1.335 . . . . 0.0 110.38 171.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -156.25 159.28 2.85 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.272 0 CA-C-O 121.978 0.894 . . . . 0.0 112.355 175.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -151.67 155.07 25.94 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 124.478 1.037 . . . . 0.0 113.215 169.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -98.94 -179.05 4.14 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.907 1.683 . . . . 0.0 112.008 -172.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -49.61 -17.29 0.3 Allowed 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 128.305 2.642 . . . . 0.0 116.747 -175.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 166.62 -154.15 24.42 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 125.773 1.654 . . . . 0.0 111.614 -171.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -67.51 37.98 0.03 OUTLIER 'General case' 0 CA--C 1.557 1.237 0 C-N-CA 126.921 2.089 . . . . 0.0 115.197 174.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -142.75 129.89 20.86 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.438 1.895 . . . . 0.0 108.975 174.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -153.74 137.82 5.95 Favored Glycine 0 N--CA 1.467 0.762 0 C-N-CA 124.601 1.096 . . . . 0.0 112.859 -173.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -155.61 143.88 20.11 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.047 1.739 . . . . 0.0 108.438 173.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.3 ptmm? -62.39 -27.47 69.1 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 -179.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 32.4 m -47.19 -58.58 3.91 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 125.579 1.552 . . . . 0.0 113.997 -170.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.92 -56.07 17.95 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 122.783 0.433 . . . . 0.0 110.238 -176.334 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.7 pp -64.6 -33.32 75.65 Favored 'General case' 0 C--O 1.218 -0.561 0 O-C-N 123.284 0.365 . . . . 0.0 111.254 -174.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -60.99 -46.86 89.03 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 125.509 1.524 . . . . 0.0 112.121 175.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.68 -35.84 75.47 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 119.442 1.019 . . . . 0.0 112.249 171.595 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.61 -38.95 93.07 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 118.872 0.76 . . . . 0.0 112.062 -179.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.466 ' CD2' HG21 ' A' ' 115' ' ' VAL . 10.6 m-85 -72.54 -60.67 2.12 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 125.964 1.705 . . . . 0.0 111.742 174.494 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -64.5 -15.07 58.83 Favored Glycine 0 CA--C 1.54 1.646 0 C-N-CA 120.682 -0.77 . . . . 0.0 114.932 -175.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -53.44 -46.88 70.03 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.331 1.452 . . . . 0.0 111.822 167.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -70.73 -45.93 63.97 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.856 0.862 . . . . 0.0 110.605 174.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -175.13 153.88 16.69 Favored Glycine 0 N--CA 1.477 1.407 0 CA-C-O 118.253 -1.304 . . . . 0.0 115.116 171.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -50.4 155.98 4.48 Favored 'Trans proline' 0 CA--C 1.539 0.732 0 C-N-CA 123.416 2.744 . . . . 0.0 116.668 -169.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 17.4 mt -118.04 143.34 46.5 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.272 1.829 . . . . 0.0 110.471 -173.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 21.4 ttp-105 -100.49 -38.34 8.43 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.795 1.638 . . . . 0.0 111.993 -179.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 14.4 m -143.18 147.08 34.33 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 125.194 1.397 . . . . 0.0 110.186 171.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 11.2 t -147.36 130.24 8.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 N-CA-C 106.964 -1.495 . . . . 0.0 106.964 175.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 87.2 t90 -146.55 145.37 30.11 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 123.904 0.881 . . . . 0.0 111.348 -169.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -143.48 141.04 26.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 O-C-N 121.452 -0.78 . . . . 0.0 108.957 168.512 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -65.42 115.24 5.47 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-O 120.984 0.421 . . . . 0.0 110.865 -172.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.4 -16.97 62.42 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 115.835 1.791 . . . . 0.0 115.835 -171.343 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 -101.26 -25.08 0.22 Allowed Pre-proline 0 CA--C 1.557 1.215 0 N-CA-C 114.614 1.339 . . . . 0.0 114.614 -177.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -125.57 59.06 0.0 OUTLIER 'Trans proline' 0 CA--C 1.555 1.529 0 C-N-CA 125.013 3.809 . . . . 0.0 109.147 168.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -60.72 132.47 42.95 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 123.465 2.777 . . . . 0.0 112.657 -169.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 142.99 -15.05 2.37 Favored Glycine 0 CA--C 1.539 1.562 0 C-N-CA 125.151 1.358 . . . . 0.0 114.032 -172.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -122.8 140.33 53.03 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 128.505 2.722 . . . . 0.0 106.713 177.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -146.59 172.99 12.74 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.09 1.356 . . . . 0.0 114.102 -168.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -144.76 158.88 43.61 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.949 1.7 . . . . 0.0 113.265 176.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.466 HG21 ' CD2' ' A' ' 94' ' ' PHE . 1.4 t -145.06 159.24 13.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 125.481 1.512 . . . . 0.0 112.473 -179.36 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 75.8 tt0 -140.53 104.1 4.68 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 126.701 2.001 . . . . 0.0 109.408 169.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.401 ' CZ ' ' HB3' ' A' ' 94' ' ' PHE . 9.3 m-85 -78.87 157.04 28.39 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 -179.444 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -88.25 8.68 26.08 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 126.097 1.759 . . . . 0.0 113.495 173.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -159.62 131.61 4.2 Favored Pre-proline 0 CA--C 1.547 0.856 0 O-C-N 120.651 -1.281 . . . . 0.0 111.864 176.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_endo -74.93 -28.57 9.19 Favored 'Trans proline' 0 CA--C 1.539 0.728 0 C-N-CA 122.778 2.319 . . . . 0.0 114.212 -175.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . 0.251 0.0 OUTLIER -82.93 -27.3 30.67 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 119.94 1.245 . . . . 0.0 112.527 176.79 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -73.96 -36.19 64.57 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 119.15 0.886 . . . . 0.0 110.504 169.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.89 -41.16 95.48 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 118.875 0.761 . . . . 0.0 111.17 169.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.84 -44.72 88.86 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.796 -0.565 . . . . 0.0 112.175 173.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -62.45 -37.58 86.46 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.09 0.956 . . . . 0.0 112.187 177.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.86 -55.49 25.71 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.877 1.271 . . . . 0.0 110.256 172.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 42.3 t -52.87 -30.77 16.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 124.878 1.271 . . . . 0.0 112.946 172.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -79.22 -23.53 43.71 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 127.272 2.229 . . . . 0.0 113.387 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -124.97 1.09 8.0 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 -176.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 96.1 mt -114.2 13.58 17.99 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.726 1.61 . . . . 0.0 112.731 179.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -53.17 156.62 2.16 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 126.302 1.841 . . . . 0.0 115.521 -177.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -49.46 -6.0 0.06 OUTLIER Glycine 0 CA--C 1.543 1.782 0 N-CA-C 122.315 3.686 . . . . 0.0 122.315 -168.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.407 ' HD2' ' H ' ' A' ' 134' ' ' THR . 1.4 ppt_? -70.95 -39.27 72.71 Favored 'General case' 0 N--CA 1.482 1.155 0 CA-C-N 119.853 1.826 . . . . 0.0 114.702 -173.496 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' THR . . . . . 0.407 ' H ' ' HD2' ' A' ' 133' ' ' ARG . 1.3 m 174.55 138.64 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 128.172 2.589 . . . . 0.0 110.111 -175.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 49.0 tp -147.14 -58.91 0.27 Allowed 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 126.071 1.748 . . . . 0.0 108.288 168.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 75.2 m -70.88 -41.91 70.71 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.387 1.075 . . . . 0.0 112.251 171.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 161.0 -2.04 0.08 OUTLIER Glycine 0 CA--C 1.538 1.526 0 N-CA-C 117.715 1.846 . . . . 0.0 117.715 169.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 6.2 t -149.47 -157.12 0.78 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 126.19 1.796 . . . . 0.0 109.129 178.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -41.0 109.63 0.12 Allowed 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 126.86 2.064 . . . . 0.0 110.848 171.148 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 27.5 m -114.96 -178.32 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 124.315 1.046 . . . . 0.0 110.503 169.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.89 148.68 32.05 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.651 1.181 . . . . 0.0 109.933 169.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 54.0 t -152.08 124.74 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 N-CA-C 105.797 -1.927 . . . . 0.0 105.797 167.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . 0.408 ' HG2' ' H ' ' A' ' 144' ' ' LEU . 9.7 tt0 -149.79 -160.84 1.23 Allowed 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.196 0.907 . . . . 0.0 110.964 -174.438 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.408 ' H ' ' HG2' ' A' ' 143' ' ' GLU . 98.2 mt -120.79 142.97 49.09 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 120.754 -1.216 . . . . 0.0 109.416 172.355 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 22.8 t -40.51 136.42 1.32 Allowed 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 115.699 1.74 . . . . 0.0 115.699 -173.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 1.1 t30 68.28 89.19 0.1 Allowed 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 129.601 3.16 . . . . 0.0 113.577 -177.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -157.65 -38.97 0.02 OUTLIER Glycine 0 CA--C 1.546 1.977 0 N-CA-C 118.138 2.015 . . . . 0.0 118.138 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . 0.425 ' HG2' ' H ' ' A' ' 149' ' ' LYS . 17.9 tt0 -155.7 -174.87 5.15 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-N 119.944 1.872 . . . . 0.0 110.24 -177.218 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . 0.425 ' H ' ' HG2' ' A' ' 148' ' ' GLU 0.446 0.1 OUTLIER -139.2 56.25 1.68 Allowed 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 117.789 2.514 . . . . 0.0 117.789 169.418 . . . . . . . . 4 4 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 39.2 mmt-85 . . . . . 0 C--O 1.252 1.222 0 C-N-CA 128.246 2.618 . . . . 0.0 112.824 178.389 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 151' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.82 2 O4'-C1'-N19 112.648 4.448 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 152' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.292 2 C4'-C3'-C2' 97.377 -5.323 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.144 3 N19-C1'-C2' 124.727 7.079 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.596 2 O4'-C1'-N19 114.417 6.217 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.2 tpp . . . . . 0 N--CA 1.483 1.223 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -81.45 145.85 30.55 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 120.012 1.278 . . . . 0.0 111.949 174.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.415 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 92.5 m-85 -129.58 150.07 51.07 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 127.63 2.372 . . . . 0.0 108.962 179.195 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -101.13 161.97 13.23 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.794 1.238 . . . . 0.0 111.325 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.9 tp -142.96 140.18 30.97 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 126.642 1.977 . . . . 0.0 109.859 171.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mp -112.96 134.37 55.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.843 1.657 . . . . 0.0 109.204 169.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.3 mp -110.91 66.44 0.63 Allowed 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 127.779 2.432 . . . . 0.0 109.414 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -60.77 89.28 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 124.172 0.989 . . . . 0.0 110.918 169.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -146.16 158.61 27.75 Favored Glycine 0 N--CA 1.47 0.941 0 O-C-N 120.828 -1.17 . . . . 0.0 114.561 178.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.411 ' C ' ' H ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -53.12 131.21 36.35 Favored 'General case' 0 CA--C 1.504 -0.797 0 C-N-CA 124.968 1.307 . . . . 0.0 114.479 -168.253 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.4 m 61.61 -21.59 0.04 OUTLIER 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 128.571 2.748 . . . . 0.0 114.98 172.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.411 ' H ' ' C ' ' A' ' 10' ' ' LYS . 1.2 pp -104.38 -40.8 5.95 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 116.111 1.893 . . . . 0.0 116.111 -167.379 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 11.41 147.81 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.05 1 C-N-CA 133.399 4.68 . . . . 0.0 120.886 -168.449 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -168.63 -163.53 22.79 Favored Glycine 0 N--CA 1.473 1.133 0 N-CA-C 119.006 2.363 . . . . 0.0 119.006 169.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -155.6 158.09 37.81 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 126.249 1.82 . . . . 0.0 112.213 174.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.0 t -157.73 -177.46 6.59 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 126.639 1.976 . . . . 0.0 110.292 -174.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 75.9 p -143.82 169.34 17.97 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.318 1.447 . . . . 0.0 111.11 174.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.7 t -154.67 152.58 30.12 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.397 1.079 . . . . 0.0 111.278 172.062 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.2 tp10 -79.94 117.44 20.79 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.795 0.838 . . . . 0.0 108.749 168.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -138.57 178.76 6.9 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.229 1.412 . . . . 0.0 113.363 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.431 ' H ' ' HB ' ' A' ' 25' ' ' THR . 96.8 t -79.48 -49.0 20.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 O-C-N 121.258 -0.901 . . . . 0.0 110.532 169.445 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.415 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 5.2 t70 176.75 -157.0 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 131.101 3.76 . . . . 0.0 105.8 -179.03 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.86 -19.94 1.99 Allowed 'General case' 0 CA--C 1.549 0.909 0 O-C-N 119.94 -1.725 . . . . 0.0 113.934 169.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.75 -8.18 19.78 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.479 1.112 . . . . 0.0 113.999 172.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.431 ' HB ' ' H ' ' A' ' 21' ' ' VAL . 21.9 m -140.52 -37.17 0.46 Allowed 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.357 1.463 . . . . 0.0 112.239 176.458 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.6 -38.16 86.41 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.639 1.176 . . . . 0.0 110.931 177.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -72.91 2.26 7.18 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 114.515 1.302 . . . . 0.0 114.515 178.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.411 ' HE3' HG22 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -131.94 18.58 4.6 Favored 'General case' 0 C--O 1.226 -0.18 0 C-N-CA 124.871 1.269 . . . . 0.0 111.793 173.158 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.411 HG22 ' HE3' ' A' ' 28' ' ' LYS . 4.3 t -117.48 -52.1 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 124.799 1.24 . . . . 0.0 110.062 175.661 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -60.67 -28.64 68.76 Favored 'General case' 0 C--O 1.225 -0.2 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.918 178.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -54.73 -31.43 58.26 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.206 1.002 . . . . 0.0 112.811 174.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -79.77 -53.0 7.21 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 118.729 0.695 . . . . 0.0 110.948 176.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -62.51 -42.54 99.58 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.281 1.032 . . . . 0.0 111.822 -175.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.36 -48.33 78.38 Favored 'General case' 0 N--CA 1.45 -0.442 0 O-C-N 121.353 -0.842 . . . . 0.0 112.396 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -67.36 -16.27 64.15 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 176.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -83.91 -31.34 25.7 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.314 0.961 . . . . 0.0 112.888 173.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 58.8 m-80 -74.16 -37.33 64.02 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 168.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 120.35 -3.52 12.47 Favored Glycine 0 N--CA 1.438 -1.194 0 C-N-CA 128.472 2.939 . . . . 0.0 114.096 171.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.8 t -76.86 138.38 20.69 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.764 0 CA-C-N 118.908 1.354 . . . . 0.0 109.417 175.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -157.24 35.44 0.28 Allowed 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 173.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.63 -161.16 0.05 OUTLIER Glycine 0 CA--C 1.528 0.876 0 N-CA-C 117.065 1.586 . . . . 0.0 117.065 174.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.97 123.02 15.17 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.607 0.763 . . . . 0.0 109.365 171.571 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 77.1 m95 -90.43 123.43 34.14 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.097 0.959 . . . . 0.0 111.171 -178.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.97 162.32 23.64 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 127.77 2.428 . . . . 0.0 110.193 -172.236 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -153.77 168.65 25.57 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.322 1.449 . . . . 0.0 110.533 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -144.87 164.46 31.02 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.114 1.766 . . . . 0.0 110.524 -177.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.413 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 22.9 t70 -133.11 -1.95 3.22 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 -179.437 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.07 -28.79 32.18 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.63 -0.669 . . . . 0.0 110.339 169.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.5 p -135.09 -12.34 2.18 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.703 1.601 . . . . 0.0 113.08 -172.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.413 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 0.8 OUTLIER 63.34 46.92 4.19 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.807 1.643 . . . . 0.0 112.235 177.201 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 74.7 m -116.46 110.63 18.88 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.019 1.328 . . . . 0.0 111.487 -173.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -64.57 162.09 16.21 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 122.231 1.015 . . . . 0.0 111.145 168.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 24.3 m -147.96 155.78 41.94 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 169.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.5 p -138.6 109.41 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 C-N-CA 125.602 1.561 . . . . 0.0 107.874 170.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 98.6 m -114.09 102.67 10.38 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.731 1.212 . . . . 0.0 111.621 -169.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -95.15 140.37 30.17 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 127.216 2.206 . . . . 0.0 112.316 -169.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -157.68 45.61 0.48 Allowed Glycine 0 N--CA 1.47 0.909 0 C-N-CA 125.747 1.641 . . . . 0.0 110.216 174.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.4 p 172.54 13.75 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 127.893 2.477 . . . . 0.0 113.734 -169.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 63.34 -40.62 0.2 Allowed 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 128.843 2.857 . . . . 0.0 114.865 -169.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 83.6 m-70 -141.6 148.19 38.86 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.828 1.651 . . . . 0.0 111.402 178.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 50.3 p-80 -62.67 -28.19 69.76 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.381 -0.825 . . . . 0.0 112.98 169.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -65.64 -18.12 65.1 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 170.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.426 ' CE1' ' HD1' ' A' ' 66' ' ' HIS . 7.7 t-80 -72.9 -11.43 60.58 Favored 'General case' 0 CA--C 1.547 0.841 0 O-C-N 120.91 -1.119 . . . . 0.0 113.092 179.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 60.5 m80 -58.26 -18.5 27.11 Favored 'General case' 0 N--CA 1.479 1.016 0 O-C-N 119.425 -2.047 . . . . 0.0 113.802 172.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -78.96 -1.03 33.42 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 125.938 1.695 . . . . 0.0 114.249 171.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.426 ' HD1' ' CE1' ' A' ' 63' ' ' HIS . 16.2 t-80 -134.83 118.68 17.26 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.857 1.663 . . . . 0.0 111.699 -176.116 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -64.22 -39.24 93.55 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 115.626 1.713 . . . . 0.0 115.626 -172.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -80.27 58.96 3.23 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.614 1.166 . . . . 0.0 112.126 -174.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -79.1 64.8 4.1 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.881 1.272 . . . . 0.0 111.713 175.148 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 82.6 m -50.71 -29.57 2.89 Favored Pre-proline 0 CA--C 1.552 1.038 0 N-CA-C 116.577 2.066 . . . . 0.0 116.577 179.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -49.0 -38.49 39.34 Favored 'Trans proline' 0 C--N 1.358 1.038 0 C-N-CA 123.036 2.491 . . . . 0.0 115.287 172.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -174.03 141.01 0.74 Allowed 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.066 1.346 . . . . 0.0 112.486 169.687 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -66.62 149.98 49.69 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 167.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 73.1 m -132.11 39.5 3.42 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.29 1.436 . . . . 0.0 111.041 -175.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 58.4 mttp 67.18 154.82 0.1 Allowed 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 127.535 2.334 . . . . 0.0 110.379 -167.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . 0.293 0.5 OUTLIER -124.5 132.68 70.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 CA-C-O 122.731 1.253 . . . . 0.0 111.2 176.565 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -84.59 145.82 27.84 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 126.363 1.865 . . . . 0.0 109.773 176.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.3 p -143.84 133.72 20.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 121.194 0.521 . . . . 0.0 110.665 170.195 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -156.32 -178.48 30.5 Favored Glycine 0 N--CA 1.469 0.874 0 N-CA-C 116.199 1.24 . . . . 0.0 116.199 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 42.7 t30 41.71 49.63 3.83 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.873 2.069 . . . . 0.0 113.402 -168.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.1 pp -100.21 -175.86 3.06 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 125.421 1.488 . . . . 0.0 110.103 169.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -52.62 149.4 10.49 Favored Glycine 0 CA--C 1.541 1.675 0 O-C-N 121.325 -0.859 . . . . 0.0 114.279 -178.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -75.5 35.31 0.12 Allowed 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 125.473 1.509 . . . . 0.0 114.05 -172.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -130.99 26.99 4.91 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.842 2.057 . . . . 0.0 110.976 -176.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -30.3 95.65 0.01 OUTLIER Glycine 0 N--CA 1.474 1.208 0 C-N-CA 128.455 2.931 . . . . 0.0 114.769 175.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -150.16 145.63 26.4 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 127.572 2.349 . . . . 0.0 106.835 178.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.0 ptmm? -59.51 -27.19 65.94 Favored 'General case' 0 C--O 1.22 -0.468 0 N-CA-C 115.239 1.57 . . . . 0.0 115.239 -175.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 85.5 m -45.98 -63.97 0.85 Allowed 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 115.769 1.766 . . . . 0.0 115.769 -169.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -71.82 -47.79 50.78 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 119.992 1.269 . . . . 0.0 111.136 -176.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.1 pp -60.83 -34.45 74.58 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-N 119.361 0.982 . . . . 0.0 112.211 -179.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -64.6 -46.0 84.55 Favored 'General case' 0 C--O 1.236 0.343 0 O-C-N 120.778 -1.202 . . . . 0.0 111.987 175.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.02 -36.55 84.74 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 119.543 1.065 . . . . 0.0 111.902 170.488 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -68.58 -39.76 80.81 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.134 0.974 . . . . 0.0 112.421 -176.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.411 ' CE1' ' CD1' ' A' ' 130' ' ' LEU . 14.6 m-85 -71.26 -61.74 1.66 Allowed 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 125.059 1.344 . . . . 0.0 110.819 173.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -58.7 -18.32 38.12 Favored Glycine 0 CA--C 1.548 2.101 0 N-CA-C 115.486 0.954 . . . . 0.0 115.486 179.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -55.85 -50.26 71.08 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.684 1.594 . . . . 0.0 112.559 168.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -63.99 -41.67 97.44 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.149 0.58 . . . . 0.0 110.02 173.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 176.25 157.62 17.87 Favored Glycine 0 N--CA 1.475 1.278 0 CA-C-O 118.495 -1.17 . . . . 0.0 114.373 168.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_exo -49.31 130.51 25.08 Favored 'Trans proline' 0 CA--C 1.531 0.349 0 C-N-CA 123.229 2.619 . . . . 0.0 116.455 -169.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 18.0 mt -72.88 167.47 20.91 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 113.438 -1.71 . . . . 0.0 111.446 169.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -123.64 -23.8 4.66 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.063 1.745 . . . . 0.0 111.834 171.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.5 t -161.71 156.97 23.69 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.129 1.372 . . . . 0.0 111.68 168.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 60.3 t -145.82 131.99 13.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 126.241 1.816 . . . . 0.0 108.421 178.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 90.7 t90 -142.18 143.73 33.08 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.29 1.436 . . . . 0.0 110.988 -176.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -143.29 148.44 19.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 O-C-N 121.114 -0.991 . . . . 0.0 110.496 172.369 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -74.7 153.94 38.65 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 -175.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.11 -41.23 64.24 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.714 0.806 . . . . 0.0 112.354 171.639 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -64.21 150.16 93.01 Favored Pre-proline 0 CA--C 1.55 0.951 0 C-N-CA 126.035 1.734 . . . . 0.0 110.41 177.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . 0.262 0.1 OUTLIER 0.93 79.02 0.0 OUTLIER 'Trans proline' 0 C--N 1.357 1.01 1 C-N-CA 127.928 5.752 . . . . 0.0 117.103 -169.114 . . . . . . . . 4 3 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -68.35 86.8 0.41 Allowed 'Trans proline' 0 C--N 1.355 0.919 0 C-N-CA 124.912 3.741 . . . . 0.0 113.987 -169.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -148.58 23.5 1.34 Allowed Glycine 0 CA--C 1.543 1.784 0 C-N-CA 127.156 2.312 . . . . 0.0 112.341 169.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -151.95 148.67 28.03 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 128.957 2.903 . . . . 0.0 108.829 -168.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -162.18 170.77 18.5 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.031 1.332 . . . . 0.0 112.313 -170.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -142.89 145.08 32.75 Favored 'General case' 0 N--CA 1.48 1.038 0 O-C-N 121.468 -0.77 . . . . 0.0 111.741 170.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 32.8 m -138.01 170.08 17.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 CA-C-O 122.214 1.007 . . . . 0.0 113.367 -174.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -147.99 128.31 13.9 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 126.11 1.764 . . . . 0.0 108.578 -169.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -115.14 153.76 30.2 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 113.294 0.849 . . . . 0.0 113.294 -171.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -82.49 -12.37 57.85 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.309 1.044 . . . . 0.0 113.308 -179.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -146.63 135.41 11.12 Favored Pre-proline 0 CA--C 1.552 1.02 0 C-N-CA 125.14 1.376 . . . . 0.0 111.664 -173.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -75.4 -29.16 7.89 Favored 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 123.208 2.605 . . . . 0.0 115.338 -171.09 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . 0.263 0.0 OUTLIER -86.46 -26.84 24.46 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 119.91 1.232 . . . . 0.0 112.151 178.168 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -68.66 -43.09 76.92 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 123.313 0.645 . . . . 0.0 109.98 168.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.89 -44.28 91.14 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.666 0.787 . . . . 0.0 112.081 170.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.94 -43.65 92.02 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 177.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -59.37 -38.98 81.82 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 119.443 1.02 . . . . 0.0 111.87 172.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.48 -54.73 27.9 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 118.123 0.42 . . . . 0.0 110.911 175.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -58.87 -20.29 16.79 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 125.823 1.649 . . . . 0.0 114.247 179.713 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 14.7 ttp85 -103.58 -24.07 13.43 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 126.111 1.764 . . . . 0.0 114.357 -178.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -112.16 -24.9 9.59 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 119.695 1.134 . . . . 0.0 113.105 -175.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.411 ' CD1' ' CE1' ' A' ' 94' ' ' PHE . 57.8 mt -70.49 -28.26 64.83 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 119.275 0.943 . . . . 0.0 111.348 168.427 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -68.47 134.53 50.25 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -170.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 59.46 16.02 34.35 Favored Glycine 0 CA--C 1.539 1.535 0 C-N-CA 126.033 1.778 . . . . 0.0 115.354 179.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 11.0 ttt-85 -84.81 -66.68 0.87 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 126.31 1.844 . . . . 0.0 113.519 -168.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 19.5 m 136.1 131.95 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.215 1 C-N-CA 133.883 4.873 . . . . 0.0 106.873 -172.231 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 15.1 tp -164.27 134.74 4.18 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 106.569 -1.641 . . . . 0.0 106.569 -178.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 44.1 t 59.51 -38.47 0.07 Allowed 'General case' 0 CA--C 1.556 1.176 0 C-N-CA 127.159 2.184 . . . . 0.0 114.499 -168.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 148.68 26.37 0.07 OUTLIER Glycine 0 CA--C 1.536 1.358 0 C-N-CA 125.94 1.733 . . . . 0.0 116.965 169.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.1 t -141.69 -176.91 4.94 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 119.469 1.634 . . . . 0.0 112.869 176.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -72.19 55.54 0.32 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 129.455 3.102 . . . . 0.0 112.561 -176.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 10.8 p -50.22 131.16 9.72 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 C-N-CA 126.589 1.956 . . . . 0.0 111.325 -172.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.91 126.06 35.15 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 126.411 1.884 . . . . 0.0 106.254 -175.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 57.6 t -132.69 135.87 56.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 123.764 0.826 . . . . 0.0 110.399 -167.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -143.47 166.76 23.9 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 120.887 -1.133 . . . . 0.0 112.963 -176.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -81.73 134.2 35.43 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 169.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.24 155.1 12.01 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 115.501 1.667 . . . . 0.0 115.501 -168.719 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -107.94 0.32 21.87 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.281 1.432 . . . . 0.0 112.725 171.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -102.13 -10.5 39.3 Favored Glycine 0 CA--C 1.535 1.33 0 C-N-CA 124.623 1.106 . . . . 0.0 115.084 -174.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -152.17 149.19 28.49 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 118.912 1.356 . . . . 0.0 112.679 -174.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -145.15 154.79 42.81 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 126.186 1.795 . . . . 0.0 111.87 171.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.481 1.107 0 C-N-CA 126.245 1.818 . . . . 0.0 111.615 -173.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 151' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.971 1 C3'-C2'-C1' 105.579 4.532 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 152' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.974 1 P-O3'-C3' 125.381 4.734 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.493 2 C3'-C2'-C1' 106.28 5.311 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.031 2 O4'-C1'-N19 113.754 5.554 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 mpp? . . . . . 0 N--CA 1.485 1.283 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -90.36 137.82 32.04 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 120.915 -1.116 . . . . 0.0 110.818 175.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.436 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 88.0 m-85 -123.31 154.26 39.13 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 127.204 2.202 . . . . 0.0 109.088 -176.56 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -105.35 160.77 14.86 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.221 1.009 . . . . 0.0 111.551 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -146.35 135.34 22.54 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 126.429 1.892 . . . . 0.0 110.379 175.566 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.4 mp -114.48 112.26 39.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 126.635 1.974 . . . . 0.0 110.252 172.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 82.9 mt -82.81 72.94 9.88 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 126.316 1.847 . . . . 0.0 110.225 169.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 41.4 m-20 -62.85 60.08 0.01 OUTLIER 'General case' 0 CA--C 1.564 1.505 0 C-N-CA 125.01 1.324 . . . . 0.0 114.422 172.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -94.43 139.38 14.5 Favored Glycine 0 CA--C 1.536 1.38 0 O-C-N 119.696 -1.878 . . . . 0.0 113.377 176.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.8 tptm -42.07 -55.89 3.03 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 117.284 2.327 . . . . 0.0 117.284 -167.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 46.1 p -112.44 -0.36 15.32 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.324 1.05 . . . . 0.0 113.527 -169.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -137.34 -2.24 2.04 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 116.119 1.896 . . . . 0.0 116.119 -168.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.37 148.33 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 117.122 2.267 . . . . 0.0 117.122 -169.194 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -163.95 -165.96 22.03 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 116.838 1.495 . . . . 0.0 116.838 169.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -154.13 155.86 36.15 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.466 1.506 . . . . 0.0 111.776 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.9 t -157.78 -173.17 4.24 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 125.853 1.661 . . . . 0.0 109.419 179.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 66.6 p -139.5 172.52 12.68 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.209 1.403 . . . . 0.0 110.514 175.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.5 t -157.17 149.77 23.25 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.192 0.997 . . . . 0.0 110.805 177.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.3 tp10 -80.29 114.36 19.14 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 169.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -132.36 177.18 7.79 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.724 1.609 . . . . 0.0 112.838 178.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.463 ' H ' ' HB ' ' A' ' 25' ' ' THR . 46.7 t -86.9 -37.23 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 O-C-N 121.172 -0.955 . . . . 0.0 111.928 172.596 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.436 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 3.8 t70 174.54 -157.16 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 130.865 3.666 . . . . 0.0 106.882 173.47 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.8 -22.49 2.18 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 120.408 1.458 . . . . 0.0 113.864 169.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.6 -6.69 21.39 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.279 1.432 . . . . 0.0 113.742 175.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.463 ' HB ' ' H ' ' A' ' 21' ' ' VAL . 53.4 m -138.81 -33.81 0.63 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.639 1.576 . . . . 0.0 112.428 176.204 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.93 -35.32 79.74 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 124.679 1.192 . . . . 0.0 110.847 175.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -76.16 4.65 8.17 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 114.754 1.39 . . . . 0.0 114.754 177.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.44 17.91 4.39 Favored 'General case' 0 N--CA 1.463 0.198 0 O-C-N 120.309 -1.494 . . . . 0.0 112.022 174.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.9 p -126.54 -41.05 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.185 0.994 . . . . 0.0 112.352 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -64.39 -27.23 68.87 Favored 'General case' 0 C--O 1.226 -0.184 0 C-N-CA 123.277 0.631 . . . . 0.0 112.412 170.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -56.54 -31.16 63.89 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.952 1.301 . . . . 0.0 112.752 173.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -77.62 -51.27 10.92 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 118.506 0.594 . . . . 0.0 111.034 176.622 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -59.99 -42.56 94.49 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.41 1.084 . . . . 0.0 111.97 179.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.07 -49.26 78.57 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 124.03 0.932 . . . . 0.0 112.142 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 -71.04 -19.0 62.54 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 178.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -80.9 -30.15 35.51 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 173.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -78.36 -44.04 26.11 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 168.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 121.71 13.95 4.93 Favored Glycine 0 CA--C 1.538 1.486 0 C-N-CA 128.673 3.035 . . . . 0.0 115.363 170.003 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 44.4 t -86.73 148.68 4.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 125.31 1.444 . . . . 0.0 111.515 173.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -164.58 58.38 0.14 Allowed 'General case' 0 CA--C 1.555 1.161 0 CA-C-O 122.709 1.242 . . . . 0.0 111.957 168.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.79 -140.99 5.76 Favored Glycine 0 CA--C 1.547 2.071 0 C-N-CA 126.679 2.085 . . . . 0.0 116.527 179.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -70.72 88.66 0.72 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 125.85 1.66 . . . . 0.0 112.948 -177.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 81.8 m95 -62.55 111.98 2.29 Favored 'General case' 0 N--CA 1.467 0.383 0 O-C-N 119.911 -1.743 . . . . 0.0 110.418 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -126.67 163.05 24.33 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 126.641 1.977 . . . . 0.0 110.907 -172.273 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -147.32 168.5 21.62 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.345 1.058 . . . . 0.0 111.797 177.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -142.41 128.24 19.38 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 127.319 2.247 . . . . 0.0 107.437 -177.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.493 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -105.33 3.31 29.71 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.759 1.392 . . . . 0.0 114.759 -177.837 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -92.43 -29.07 16.47 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.096 1.358 . . . . 0.0 110.425 169.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.2 p -125.4 -10.47 6.91 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -174.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.493 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 2.6 mmpt? 61.13 42.54 12.2 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.357 1.463 . . . . 0.0 112.479 178.074 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 81.1 m -117.73 110.91 18.42 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.859 1.664 . . . . 0.0 111.601 -174.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -67.51 159.69 29.17 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 121.924 0.868 . . . . 0.0 111.002 168.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.9 m -146.16 159.48 43.25 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.122 1.369 . . . . 0.0 108.37 170.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.265 7.6 p -152.75 76.96 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 CA-C-O 123.077 1.418 . . . . 0.0 111.72 177.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.1 m -73.49 112.9 10.01 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.019 1.328 . . . . 0.0 111.822 -179.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -75.8 -45.97 33.16 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 177.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 66.24 -25.0 0.16 Allowed Glycine 0 CA--C 1.543 1.814 0 C-N-CA 126.671 2.081 . . . . 0.0 117.377 -178.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.4 -179.92 1.14 Allowed 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.902 1.681 . . . . 0.0 114.976 -170.587 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -58.62 -27.94 65.17 Favored 'General case' 0 CA--C 1.549 0.919 0 O-C-N 120.663 -1.273 . . . . 0.0 113.786 169.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.439 ' CD2' ' H ' ' A' ' 61' ' ' HIS . 34.8 t60 60.82 175.41 0.1 Allowed 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 126.879 2.072 . . . . 0.0 113.17 -168.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.439 ' H ' ' CD2' ' A' ' 60' ' ' HIS . 73.8 t60 -140.17 -56.06 0.54 Allowed 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 115.004 1.483 . . . . 0.0 115.004 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . 0.286 0.1 OUTLIER 35.98 5.25 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 120.36 3.467 . . . . 0.0 120.36 -171.717 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 58.8 -14.45 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 128.962 2.905 . . . . 0.0 117.114 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 44.7 p-80 -117.51 157.75 25.76 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 120.377 1.444 . . . . 0.0 113.864 -172.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.64 29.61 1.24 Allowed 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 126.368 1.867 . . . . 0.0 111.588 -169.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 16.1 m170 -84.1 1.34 44.59 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 125.691 1.597 . . . . 0.0 114.535 -170.035 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.63 40.48 1.0 Allowed 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 125.756 1.622 . . . . 0.0 112.24 -170.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -124.26 18.94 9.05 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.43 1.492 . . . . 0.0 114.439 -167.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 20.2 m -149.88 159.72 44.15 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.538 1.535 . . . . 0.0 111.664 174.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.518 ' H ' ' HD2' ' A' ' 71' ' ' PRO . 46.1 t -152.75 -46.85 0.01 OUTLIER Pre-proline 0 CA--C 1.552 1.052 0 C-N-CA 125.087 1.355 . . . . 0.0 114.381 -175.59 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.518 ' HD2' ' H ' ' A' ' 70' ' ' CYS . 60.0 Cg_endo -70.36 98.22 0.73 Allowed 'Trans proline' 0 C--N 1.358 1.028 0 C-N-CA 122.551 2.167 . . . . 0.0 111.369 177.299 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -57.96 -50.36 73.64 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.609 1.564 . . . . 0.0 112.093 -173.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -159.44 170.53 21.55 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.761 1.624 . . . . 0.0 110.6 172.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 4.3 p -158.08 16.63 0.23 Allowed 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 126.215 1.806 . . . . 0.0 113.517 -174.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 46.2 mttp -68.95 141.3 55.01 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.205 1.402 . . . . 0.0 111.163 171.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -140.81 139.46 34.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 CA-C-O 122.661 1.219 . . . . 0.0 111.099 178.168 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -82.29 149.1 27.97 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 128.155 2.582 . . . . 0.0 110.199 175.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -149.44 151.84 12.52 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 CA-C-O 122.729 1.252 . . . . 0.0 113.652 171.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.441 ' HA2' ' HA ' ' A' ' 112' ' ' PHE . . . -137.79 157.67 24.29 Favored Glycine 0 CA--C 1.53 1.031 0 C-N-CA 126.136 1.826 . . . . 0.0 112.068 168.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -159.02 161.01 36.55 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.009 1.324 . . . . 0.0 112.137 -167.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.5 tp 33.48 -69.1 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 130.591 3.556 . . . . 0.0 117.586 -173.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 169.06 -38.73 0.21 Allowed Glycine 0 CA--C 1.533 1.163 0 C-N-CA 126.787 2.137 . . . . 0.0 111.757 -172.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -152.7 1.75 0.31 Allowed 'General case' 0 CA--C 1.551 1.012 0 N-CA-C 116.595 2.072 . . . . 0.0 116.595 -177.42 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -79.35 163.03 25.19 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 120.855 1.661 . . . . 0.0 113.642 -179.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -162.23 70.26 0.22 Allowed Glycine 0 N--CA 1.47 0.937 0 O-C-N 121.02 -1.05 . . . . 0.0 112.545 -173.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -137.87 135.88 36.58 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.642 1.577 . . . . 0.0 109.072 170.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.5 pttp -70.52 -19.13 62.94 Favored 'General case' 0 C--O 1.22 -0.494 0 N-CA-C 116.08 1.882 . . . . 0.0 116.08 -172.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 46.5 m -43.11 -62.59 1.0 Allowed 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 120.568 1.531 . . . . 0.0 114.497 -169.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.04 -55.47 16.47 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 -175.455 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.3 pp -63.6 -33.77 76.35 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 123.437 0.461 . . . . 0.0 112.178 -173.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -64.57 -48.45 74.94 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 125.151 1.38 . . . . 0.0 111.169 178.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.78 -32.89 71.62 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 119.04 -1.064 . . . . 0.0 112.152 172.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.44 98.24 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.728 0.811 . . . . 0.0 111.695 178.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -69.79 -64.16 0.94 Allowed 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 125.268 1.427 . . . . 0.0 111.729 172.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -57.22 -18.57 28.65 Favored Glycine 0 CA--C 1.548 2.116 0 N-CA-C 115.444 0.938 . . . . 0.0 115.444 -176.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -55.84 -49.42 73.36 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 126.293 1.837 . . . . 0.0 112.946 168.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -64.88 -42.46 94.78 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.387 0.675 . . . . 0.0 110.224 174.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 179.77 162.44 28.76 Favored Glycine 0 N--CA 1.476 1.301 0 CA-C-O 118.724 -1.042 . . . . 0.0 113.958 169.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -58.26 139.32 90.08 Favored 'Trans proline' 0 CA--C 1.532 0.417 0 CA-C-N 120.745 2.273 . . . . 0.0 114.976 -168.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.411 ' HA ' ' HA ' ' A' ' 117' ' ' PHE . 16.3 mt -85.89 150.1 24.76 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.786 1.634 . . . . 0.0 111.561 175.488 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -96.75 -33.67 11.62 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.494 1.118 . . . . 0.0 111.802 169.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.7 m -156.37 154.32 30.36 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.126 1.371 . . . . 0.0 112.193 172.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 73.5 t -139.6 137.13 40.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 125.786 1.634 . . . . 0.0 109.35 173.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 87.7 t90 -141.93 148.15 38.2 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 126.082 1.753 . . . . 0.0 110.553 -175.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 8.0 m -143.24 151.82 16.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 125.138 1.375 . . . . 0.0 108.656 173.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.36 143.59 50.16 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-O 122.021 0.915 . . . . 0.0 113.144 -172.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 13.2 ptt85 -55.53 -10.5 0.67 Allowed 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 129.03 2.932 . . . . 0.0 117.783 -174.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -153.61 142.2 14.33 Favored Pre-proline 0 CA--C 1.545 0.783 0 C-N-CA 125.954 1.702 . . . . 0.0 110.659 -175.759 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -26.25 90.36 0.01 OUTLIER 'Trans proline' 0 CA--C 1.546 1.106 1 C-N-CA 128.061 5.84 . . . . 0.0 118.259 -169.487 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -106.56 -37.64 0.01 OUTLIER 'Trans proline' 0 CA--C 1.542 0.908 0 C-N-CA 122.672 2.248 . . . . 0.0 115.376 -171.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 65.76 30.19 76.72 Favored Glycine 0 N--CA 1.478 1.482 0 N-CA-C 110.293 -1.123 . . . . 0.0 110.293 -168.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.441 ' HA ' ' HA2' ' A' ' 79' ' ' GLY . 0.0 OUTLIER -157.49 156.49 32.17 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.04 1.736 . . . . 0.0 110.351 -166.496 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -167.25 173.28 9.11 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.165 1.386 . . . . 0.0 112.932 -167.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -147.58 147.84 30.49 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 172.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.7 m -141.99 171.54 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 124.395 1.078 . . . . 0.0 113.053 -175.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -144.6 124.05 13.14 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 125.092 1.357 . . . . 0.0 109.229 169.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.411 ' HA ' ' HA ' ' A' ' 100' ' ' LEU . 41.1 m-85 -78.39 165.32 23.95 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 174.71 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 22.7 tp10 -70.24 -16.41 63.04 Favored 'General case' 0 CA--C 1.548 0.867 0 O-C-N 120.931 -1.106 . . . . 0.0 112.561 170.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -155.93 158.03 31.54 Favored Pre-proline 0 CA--C 1.555 1.144 0 O-C-N 120.783 -1.198 . . . . 0.0 113.346 176.185 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -68.05 -29.24 34.02 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 124.305 3.337 . . . . 0.0 113.924 -178.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.1 ttp85 -63.1 -43.4 98.58 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 120.506 1.503 . . . . 0.0 110.832 174.271 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -66.83 -43.51 83.55 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 178.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.9 -41.83 96.83 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 171.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.48 -39.23 91.7 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.609 0.764 . . . . 0.0 112.475 178.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -66.1 -41.46 90.56 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-O 123.004 1.383 . . . . 0.0 111.718 176.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.62 -56.79 17.14 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 114.917 -1.038 . . . . 0.0 110.672 171.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 54.7 t -57.19 -27.32 27.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 125.412 1.485 . . . . 0.0 113.293 174.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 55.0 ttp85 -67.59 -42.16 82.93 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.549 1.54 . . . . 0.0 110.751 -179.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -129.96 -15.54 3.81 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 118.78 2.882 . . . . 0.0 118.78 -176.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 29.1 mt -66.91 -28.53 68.39 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 121.469 1.941 . . . . 0.0 113.38 175.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -60.18 134.56 57.17 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.882 1.273 . . . . 0.0 114.02 -174.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 66.73 -20.12 0.2 Allowed Glycine 0 CA--C 1.541 1.688 0 N-CA-C 119.683 2.633 . . . . 0.0 119.683 169.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 22.2 ptt180 -65.35 -53.15 47.73 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 117.401 2.371 . . . . 0.0 117.401 -167.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 4.5 m 147.66 127.54 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 131.255 3.822 . . . . 0.0 109.339 -170.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.437 ' C ' ' H ' ' A' ' 137' ' ' GLY . 3.3 tp -168.38 137.94 2.42 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 103.591 -2.744 . . . . 0.0 103.591 -179.062 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 67.8 m 67.25 -27.16 0.13 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 126.456 1.903 . . . . 0.0 112.663 -167.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . 0.437 ' H ' ' C ' ' A' ' 135' ' ' LEU . . . 145.71 -8.16 1.54 Allowed Glycine 0 CA--C 1.534 1.239 0 N-CA-C 118.145 2.018 . . . . 0.0 118.145 168.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 13.0 t -156.6 -136.85 0.05 Allowed 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 119.819 1.809 . . . . 0.0 110.831 -169.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -47.31 116.72 1.5 Allowed 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 127.972 2.509 . . . . 0.0 111.511 178.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 61.7 t -116.68 162.55 14.58 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 124.916 1.286 . . . . 0.0 111.163 170.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.22 143.27 25.8 Favored 'General case' 0 C--O 1.221 -0.414 0 C-N-CA 127.449 2.3 . . . . 0.0 107.411 168.609 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 92.5 t -150.39 129.21 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 N-CA-C 107.189 -1.411 . . . . 0.0 107.189 169.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -147.63 159.3 43.93 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 119.511 1.05 . . . . 0.0 110.977 176.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 10.6 tp -68.82 137.81 54.26 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 120.047 -1.658 . . . . 0.0 109.605 173.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.39 115.51 5.18 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 121.698 0.761 . . . . 0.0 112.18 -171.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -139.64 25.2 2.4 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 127.635 2.374 . . . . 0.0 111.056 -169.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -148.18 155.02 26.23 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 124.608 1.099 . . . . 0.0 112.846 174.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -166.22 166.7 16.7 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 126.707 2.003 . . . . 0.0 109.496 177.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -147.21 165.68 29.3 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.365 1.066 . . . . 0.0 113.278 177.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.258 0 C-N-CA 126.648 1.979 . . . . 0.0 112.14 -179.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 151' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.228 1 C3'-C2'-C1' 105.174 4.082 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 152' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.549 2.103 1 P-O3'-C3' 125.134 4.528 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.576 -2.565 1 C3'-C2'-C1' 105.597 4.552 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.618 2 O4'-C1'-N19 112.792 4.592 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.8 mmt . . . . . 0 N--CA 1.484 1.261 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -90.09 140.21 29.87 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.017 -1.052 . . . . 0.0 111.389 173.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.431 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 88.1 m-85 -125.16 154.47 41.46 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 127.164 2.186 . . . . 0.0 108.385 -177.315 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -107.76 161.0 15.29 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.325 1.05 . . . . 0.0 111.267 -178.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 18.2 tp -142.64 139.42 31.25 Favored 'General case' 0 C--N 1.333 -0.116 0 C-N-CA 126.197 1.799 . . . . 0.0 110.462 173.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mp -113.87 142.05 27.8 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 C-N-CA 126.338 1.855 . . . . 0.0 107.157 169.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 79.5 mt -117.69 62.03 0.75 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 128.182 2.593 . . . . 0.0 109.337 176.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -56.01 91.04 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 124.407 1.083 . . . . 0.0 113.497 175.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -120.79 176.73 16.3 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 121.166 -0.958 . . . . 0.0 113.543 169.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.97 -48.94 78.47 Favored 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 115.439 1.644 . . . . 0.0 115.439 -169.536 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.7 m -134.05 -26.93 1.47 Allowed 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.517 0.727 . . . . 0.0 112.839 -173.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -88.36 -6.62 57.61 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 115.624 1.713 . . . . 0.0 115.624 -175.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.25 148.26 0.21 Allowed 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 116.08 1.881 . . . . 0.0 116.08 -168.766 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -168.08 -163.8 22.65 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 117.306 1.682 . . . . 0.0 117.306 170.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -153.77 158.33 40.76 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.961 1.304 . . . . 0.0 112.739 -178.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.2 t -159.62 -175.13 4.99 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 126.553 1.941 . . . . 0.0 110.125 -175.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 69.9 p -142.28 172.16 13.07 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.786 1.635 . . . . 0.0 111.195 175.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.9 t -157.0 150.55 24.34 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.299 -0.876 . . . . 0.0 110.878 171.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.2 tp10 -78.71 113.64 16.95 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 169.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.06 175.3 9.5 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.697 1.599 . . . . 0.0 112.685 -178.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.412 ' H ' ' HB ' ' A' ' 25' ' ' THR . 47.0 t -84.14 -38.53 13.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 O-C-N 121.352 -0.842 . . . . 0.0 111.661 170.496 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.431 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 2.8 t70 174.55 -155.97 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 131.139 3.776 . . . . 0.0 106.854 173.345 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.34 -21.61 2.34 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 120.639 1.563 . . . . 0.0 114.165 169.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.76 -6.54 16.36 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.194 1.398 . . . . 0.0 113.825 173.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.412 ' HB ' ' H ' ' A' ' 21' ' ' VAL . 22.0 m -137.72 -37.17 0.61 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.688 1.595 . . . . 0.0 111.966 174.384 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.01 -41.65 90.72 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.902 1.281 . . . . 0.0 110.946 177.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -77.26 6.28 7.0 Favored 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 114.26 1.207 . . . . 0.0 114.26 179.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.35 14.8 6.66 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.436 1.494 . . . . 0.0 111.893 169.745 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 t -115.06 -51.25 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 125.342 1.457 . . . . 0.0 110.024 173.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -62.37 -26.52 68.5 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -58.63 -28.09 65.33 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.276 1.031 . . . . 0.0 113.219 175.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -82.3 -53.39 6.08 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 123.207 0.603 . . . . 0.0 109.887 177.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -57.81 -41.62 82.56 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.128 0.971 . . . . 0.0 112.216 -179.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.75 -52.56 64.54 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 123.695 0.798 . . . . 0.0 111.823 175.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -66.09 -22.2 66.4 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.097 0.959 . . . . 0.0 113.527 176.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -77.7 -30.37 51.81 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 119.321 0.964 . . . . 0.0 112.587 174.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -79.38 -38.51 34.78 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 168.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 118.9 4.11 12.98 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 128.706 3.051 . . . . 0.0 114.739 170.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 48.7 t -77.88 143.83 12.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 CA-C-N 118.462 1.131 . . . . 0.0 110.621 171.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -162.24 54.31 0.23 Allowed 'General case' 0 CA--C 1.547 0.832 0 CA-C-O 122.421 1.105 . . . . 0.0 112.032 168.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -74.32 -158.21 5.74 Favored Glycine 0 CA--C 1.539 1.585 0 C-N-CA 124.71 1.147 . . . . 0.0 115.552 175.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -65.09 130.22 42.56 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 121.221 -1.164 . . . . 0.0 109.59 170.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 80.0 m95 -89.53 139.47 30.5 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.662 1.185 . . . . 0.0 110.715 177.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -139.69 157.38 45.87 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 127.323 2.249 . . . . 0.0 108.895 -177.728 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -153.91 165.2 36.86 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.509 1.523 . . . . 0.0 109.776 -177.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -140.8 170.29 16.03 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.574 1.15 . . . . 0.0 112.532 -179.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.43 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 21.4 t70 -131.8 -4.6 3.62 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 115.121 1.526 . . . . 0.0 115.121 178.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.66 -27.77 31.11 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.425 0.69 . . . . 0.0 109.686 168.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 25.8 p -132.38 -12.67 3.1 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.602 1.561 . . . . 0.0 113.58 -170.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.43 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 2.6 mmpt? 56.1 39.48 30.38 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.297 1.439 . . . . 0.0 112.815 176.431 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 52.6 m -116.36 114.23 24.01 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 125.7 1.6 . . . . 0.0 110.272 -172.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -67.33 157.97 32.71 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 124.291 1.036 . . . . 0.0 111.18 169.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.1 m -151.11 129.22 11.85 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 107.346 -1.353 . . . . 0.0 107.346 171.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.5 p -113.56 132.76 61.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 123.863 0.865 . . . . 0.0 108.743 170.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 57.7 m -120.29 95.6 4.81 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.948 0.899 . . . . 0.0 111.625 -169.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -52.72 -36.75 58.05 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 126.687 1.995 . . . . 0.0 114.593 -170.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.94 -0.77 36.02 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 124.495 1.045 . . . . 0.0 114.905 -177.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 21.3 t -144.77 159.99 41.97 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.276 1.43 . . . . 0.0 111.689 -175.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -134.85 17.92 3.52 Favored 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 129.454 3.102 . . . . 0.0 110.429 171.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 7.7 t60 67.0 -32.78 0.19 Allowed 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 129.613 3.165 . . . . 0.0 117.315 179.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 78.2 m80 -76.41 32.1 0.13 Allowed 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 126.46 1.904 . . . . 0.0 115.014 -170.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 60.9 m-70 -92.41 -1.29 57.11 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 115.384 1.624 . . . . 0.0 115.384 -169.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 74.3 m80 49.68 36.19 10.26 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.774 1.63 . . . . 0.0 113.896 172.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -62.2 168.76 3.17 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.222 1.809 . . . . 0.0 115.203 -174.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.59 37.9 1.84 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.882 1.273 . . . . 0.0 110.366 169.417 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.412 ' CG ' ' H ' ' A' ' 67' ' ' ARG . 15.6 t-80 -160.17 178.25 9.85 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 127.068 2.147 . . . . 0.0 109.851 172.403 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.412 ' H ' ' CG ' ' A' ' 66' ' ' HIS . 0.3 OUTLIER -66.47 35.47 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 129.193 2.997 . . . . 0.0 113.426 173.017 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -115.5 149.1 38.65 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 119.621 -1.924 . . . . 0.0 113.755 -168.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 68.7 p -150.64 99.35 2.73 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.791 1.237 . . . . 0.0 111.161 -176.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 28.1 p -147.4 154.83 45.82 Favored Pre-proline 0 CA--C 1.546 0.8 0 C-N-CA 126.878 2.071 . . . . 0.0 109.093 179.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -55.21 -42.4 69.07 Favored 'Trans proline' 0 C--N 1.353 0.814 0 C-N-CA 123.248 2.632 . . . . 0.0 112.778 -172.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.1 mt -162.56 143.55 10.1 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 129.087 2.955 . . . . 0.0 106.284 168.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -72.04 156.9 38.71 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-O 121.289 0.566 . . . . 0.0 111.276 171.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.6 t -110.11 -16.68 13.73 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.682 1.193 . . . . 0.0 112.234 -177.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -82.22 154.93 25.17 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.061 1.344 . . . . 0.0 111.106 169.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.2 t -139.55 127.73 26.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 C-N-CA 126.642 1.977 . . . . 0.0 108.395 -174.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -78.87 147.59 33.1 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 123.387 0.675 . . . . 0.0 109.476 169.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.4 p -149.68 148.5 15.46 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.332 0 CA-C-N 118.958 0.799 . . . . 0.0 112.223 169.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -128.86 97.75 0.43 Allowed Glycine 0 CA--C 1.535 1.282 0 N-CA-C 110.09 -1.204 . . . . 0.0 110.09 169.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -75.32 129.1 36.84 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 127.398 2.279 . . . . 0.0 114.313 -169.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 50.7 tp 58.57 -59.13 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 129.327 3.051 . . . . 0.0 114.439 178.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 154.66 -45.43 0.55 Allowed Glycine 0 CA--C 1.533 1.172 0 C-N-CA 129.115 3.245 . . . . 0.0 109.672 -178.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -139.85 35.86 1.97 Allowed 'General case' 0 CA--C 1.558 1.282 0 C-N-CA 125.342 1.457 . . . . 0.0 113.751 -172.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 37.5 t-20 -150.6 122.84 8.34 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 120.287 -1.508 . . . . 0.0 113.956 170.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -99.0 78.37 0.53 Allowed Glycine 0 CA--C 1.533 1.159 0 C-N-CA 125.408 1.48 . . . . 0.0 111.298 174.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -117.36 -2.69 11.52 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 116.112 1.893 . . . . 0.0 116.112 -169.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 10.1 ptmm? 46.83 -36.74 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 121.66 3.948 . . . . 0.0 121.66 -178.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 25.9 m -47.73 -52.76 17.3 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 121.743 2.065 . . . . 0.0 116.034 -168.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -77.74 -41.01 39.15 Favored 'General case' 0 CA--C 1.53 0.204 0 O-C-N 121.087 -1.008 . . . . 0.0 111.033 -177.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.2 pp -60.68 -32.93 72.12 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 120.487 1.494 . . . . 0.0 112.037 175.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -61.84 -48.73 79.23 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.755 1.222 . . . . 0.0 111.745 175.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.6 ppt_? -67.86 -35.24 78.19 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 119.19 0.905 . . . . 0.0 112.762 170.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.13 -48.85 79.7 Favored 'General case' 0 C--O 1.22 -0.456 0 C-N-CA 124.34 1.056 . . . . 0.0 111.182 -179.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -62.63 -63.13 1.31 Allowed 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 124.929 1.292 . . . . 0.0 111.525 174.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -57.33 -21.66 41.38 Favored Glycine 0 CA--C 1.547 2.052 0 N-CA-C 115.689 1.036 . . . . 0.0 115.689 -177.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -57.61 -53.48 57.69 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.706 1.603 . . . . 0.0 113.139 169.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -66.89 -37.44 84.39 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 118.69 0.677 . . . . 0.0 111.124 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -171.41 161.65 34.09 Favored Glycine 0 N--CA 1.476 1.356 0 CA-C-O 118.197 -1.335 . . . . 0.0 112.623 169.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -69.02 135.54 32.5 Favored 'Trans proline' 0 CA--C 1.535 0.531 0 CA-C-N 121.803 2.801 . . . . 0.0 114.517 -169.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 16.7 mt -74.58 164.94 26.01 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.226 1.81 . . . . 0.0 113.25 175.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 32.9 ttp-105 -124.8 -28.73 3.48 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 125.97 1.708 . . . . 0.0 112.244 169.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 17.1 t -153.5 150.19 28.48 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.535 1.134 . . . . 0.0 111.537 170.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 85.3 t -139.65 131.04 33.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 125.313 1.445 . . . . 0.0 108.847 174.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 86.2 t90 -142.21 148.31 37.97 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.112 1.365 . . . . 0.0 110.632 -178.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 24.4 m -144.56 159.17 14.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 C-N-CA 126.316 1.847 . . . . 0.0 107.941 175.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -79.02 46.5 0.7 Allowed 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 115.581 1.697 . . . . 0.0 115.581 -171.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 39.94 20.2 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 130.572 3.549 . . . . 0.0 118.957 168.291 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -169.74 -175.22 0.34 Allowed Pre-proline 0 CA--C 1.561 1.395 0 C-N-CA 127.287 2.235 . . . . 0.0 109.546 -169.744 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -56.31 -13.62 10.39 Favored 'Trans proline' 0 CA--C 1.554 1.485 0 C-N-CA 124.921 3.747 . . . . 0.0 121.764 175.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_exo -51.32 -22.51 11.83 Favored 'Trans proline' 0 CA--C 1.544 1.014 0 CA-C-N 125.661 3.058 . . . . 0.0 118.387 -176.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 77.84 -44.2 2.28 Favored Glycine 0 N--CA 1.479 1.521 0 C-N-CA 125.087 1.327 . . . . 0.0 113.776 177.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.515 ' CE1' ' C5 ' ' B' ' 153' ' ' ' U' . 0.1 OUTLIER -46.33 140.83 3.85 Favored 'General case' 0 CA--C 1.563 1.467 0 C-N-CA 126.662 1.985 . . . . 0.0 111.492 169.179 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -163.93 179.35 7.08 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 125.548 1.539 . . . . 0.0 114.067 -168.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -152.44 147.71 26.58 Favored 'General case' 0 N--CA 1.48 1.073 0 O-C-N 121.186 -0.946 . . . . 0.0 113.048 174.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.6 m -134.1 168.76 23.1 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 O-C-N 120.956 -1.09 . . . . 0.0 112.152 171.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -142.37 132.19 24.22 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 124.885 1.274 . . . . 0.0 108.57 172.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -94.95 168.63 10.66 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -178.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -71.7 -37.43 70.69 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 121.476 -0.765 . . . . 0.0 112.572 177.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -129.2 141.41 41.67 Favored Pre-proline 0 CA--C 1.547 0.832 0 C-N-CA 125.015 1.326 . . . . 0.0 110.61 175.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -51.87 -29.77 36.14 Favored 'Trans proline' 0 CA--C 1.538 0.684 0 C-N-CA 123.845 3.03 . . . . 0.0 114.996 172.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.4 ttp85 -58.22 -42.19 85.75 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.082 0.953 . . . . 0.0 111.807 170.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -68.18 -44.83 75.02 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 122.543 0.337 . . . . 0.0 110.9 -179.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.23 -48.12 82.81 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 122.959 0.504 . . . . 0.0 112.109 173.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.32 -44.6 91.07 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 -179.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -66.54 -39.53 88.64 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.319 1.048 . . . . 0.0 112.112 178.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.38 -55.51 17.71 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 121.776 -0.577 . . . . 0.0 109.964 175.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 55.8 t -55.33 -49.93 68.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 123.73 0.812 . . . . 0.0 111.206 178.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 4.4 ppt_? -60.64 -24.31 65.46 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-O 117.603 -1.189 . . . . 0.0 113.501 -178.049 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -116.16 18.86 15.23 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 174.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 22.4 mt -117.72 -35.78 3.84 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 126.275 1.83 . . . . 0.0 112.702 172.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -53.03 112.71 0.91 Allowed 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.203 1.001 . . . . 0.0 113.39 -169.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 59.58 13.51 24.08 Favored Glycine 0 CA--C 1.538 1.507 0 N-CA-C 116.66 1.424 . . . . 0.0 116.66 179.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 67.3 mmt-85 -66.38 -67.14 0.47 Allowed 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 120.039 1.92 . . . . 0.0 112.395 -176.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 17.6 m 143.54 131.64 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.353 1 C-N-CA 132.859 4.464 . . . . 0.0 107.22 -176.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.458 ' C ' ' H ' ' A' ' 137' ' ' GLY . 0.1 OUTLIER -168.09 148.76 5.0 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 105.032 -2.21 . . . . 0.0 105.032 -176.554 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 91.2 m 64.16 -31.71 0.12 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.586 1.554 . . . . 0.0 112.755 -167.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . 0.458 ' H ' ' C ' ' A' ' 135' ' ' LEU . . . 144.27 2.67 0.81 Allowed Glycine 0 CA--C 1.531 1.048 0 N-CA-C 118.266 2.066 . . . . 0.0 118.266 168.572 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 37.9 t -150.46 -77.64 0.14 Allowed 'General case' 0 C--N 1.343 0.325 0 CA-C-N 121.181 2.49 . . . . 0.0 109.799 -174.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -122.14 158.99 28.12 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 123.12 1.438 . . . . 0.0 112.64 177.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.73 89.16 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 128.116 2.566 . . . . 0.0 107.543 171.077 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.71 55.97 0.89 Allowed 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.452 1.501 . . . . 0.0 111.124 179.378 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 71.3 t -83.86 139.43 17.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 125.919 1.688 . . . . 0.0 110.194 -176.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -151.59 162.69 40.55 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.191 0.996 . . . . 0.0 110.657 169.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 39.6 mt -77.56 146.81 36.07 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 120.162 -1.586 . . . . 0.0 109.637 169.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.43 114.29 1.45 Allowed 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 112.732 0.642 . . . . 0.0 112.732 175.821 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 -70.13 -33.43 71.81 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 174.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 144.13 52.47 0.03 OUTLIER Glycine 0 CA--C 1.533 1.208 0 C-N-CA 126.363 1.935 . . . . 0.0 109.888 -169.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -49.87 -55.33 14.71 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 117.777 2.51 . . . . 0.0 117.777 -167.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -147.54 50.59 1.07 Allowed 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 125.331 1.452 . . . . 0.0 112.629 -174.2 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.066 0 C-N-CA 126.157 1.783 . . . . 0.0 111.285 178.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 151' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.016 0 C3'-C2'-C1' 105.087 3.986 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 152' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.151 4 O4'-C1'-N19 116.21 8.01 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 153' ' ' ' U' . . . . . 0.515 ' C5 ' ' CE1' ' A' ' 112' ' ' PHE . . . . . . . . 0 C5'--C4' 1.551 3.168 4 C4'-C3'-C2' 96.761 -5.939 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 016 nuclear orig full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.072 1 P-O3'-C3' 128.826 7.605 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 79.1 mmm . . . . . 0 N--CA 1.485 1.313 0 N-CA-C 109.217 -0.661 . . . . 0.0 109.217 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -88.87 140.67 29.2 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 120.544 -1.348 . . . . 0.0 112.058 177.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.43 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 88.8 m-85 -127.39 153.95 45.61 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 126.984 2.113 . . . . 0.0 108.498 -179.101 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -110.02 163.96 13.07 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.006 1.322 . . . . 0.0 111.624 -179.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -147.17 136.61 22.73 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.707 2.003 . . . . 0.0 110.772 178.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.6 mp -118.25 113.43 42.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 126.45 1.9 . . . . 0.0 110.554 173.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 85.0 mt -83.23 63.52 7.25 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 127.736 2.415 . . . . 0.0 112.05 174.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -68.27 64.3 0.1 Allowed 'General case' 0 CA--C 1.553 1.093 0 N-CA-C 115.982 1.845 . . . . 0.0 115.982 -175.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -84.14 173.14 50.06 Favored Glycine 0 N--CA 1.473 1.151 0 O-C-N 120.578 -1.326 . . . . 0.0 114.177 170.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.63 -49.35 68.04 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 115.595 1.702 . . . . 0.0 115.595 -169.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.7 p -138.56 -18.71 1.08 Allowed 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.234 1.013 . . . . 0.0 113.619 -169.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -96.98 -5.86 36.82 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.698 1.599 . . . . 0.0 114.733 -176.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.66 151.29 0.12 Allowed 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 117.383 2.364 . . . . 0.0 117.383 -168.509 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -165.3 -156.26 9.05 Favored Glycine 0 CA--C 1.525 0.716 0 CA-C-N 113.54 -1.663 . . . . 0.0 116.052 169.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -156.59 160.93 39.89 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.519 1.528 . . . . 0.0 111.973 -175.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.9 t -154.3 -176.64 5.97 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.699 1.599 . . . . 0.0 110.09 173.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 72.1 p -140.97 170.83 15.0 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 125.935 1.694 . . . . 0.0 110.082 174.081 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.0 t -157.96 151.5 23.59 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.133 -0.98 . . . . 0.0 111.293 175.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -81.66 119.23 23.56 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 167.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -138.83 170.41 16.05 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.026 1.731 . . . . 0.0 112.324 -174.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 58.7 t -82.85 -38.85 15.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 O-C-N 121.02 -1.05 . . . . 0.0 111.651 170.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.43 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 3.3 t70 174.54 -154.58 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 130.691 3.596 . . . . 0.0 106.683 173.571 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.63 -19.49 2.39 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 120.681 1.582 . . . . 0.0 114.059 169.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.83 -8.26 14.47 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.41 1.084 . . . . 0.0 113.602 171.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.3 m -136.5 -41.8 0.62 Allowed 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 126.393 1.877 . . . . 0.0 111.746 179.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.32 -34.21 75.71 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.783 1.633 . . . . 0.0 111.024 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -78.65 5.38 11.19 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 120.701 -1.249 . . . . 0.0 114.367 176.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.14 18.2 3.2 Favored 'General case' 0 N--CA 1.466 0.332 0 O-C-N 120.658 -1.276 . . . . 0.0 112.276 176.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.8 p -124.47 -40.96 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 124.889 1.276 . . . . 0.0 111.873 177.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -68.4 -27.7 66.45 Favored 'General case' 0 CA--C 1.527 0.091 0 C-N-CA 124.195 0.998 . . . . 0.0 112.571 173.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -54.59 -32.49 58.72 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.161 1.384 . . . . 0.0 112.763 177.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -80.2 -50.09 10.74 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.973 0.909 . . . . 0.0 110.665 -179.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -59.97 -43.73 94.91 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.341 1.057 . . . . 0.0 112.261 177.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.41 -52.16 66.49 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 123.729 0.811 . . . . 0.0 112.217 178.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -73.35 -13.11 61.04 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.384 0.674 . . . . 0.0 112.739 -178.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -84.18 -31.35 25.18 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.911 0.884 . . . . 0.0 112.764 171.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -76.32 -36.85 58.09 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 168.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 119.85 0.89 13.36 Favored Glycine 0 CA--C 1.534 1.224 0 C-N-CA 128.66 3.029 . . . . 0.0 114.742 169.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 54.2 t -76.39 149.63 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 CA-C-N 118.138 0.969 . . . . 0.0 111.511 173.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -163.39 41.3 0.1 Allowed 'General case' 0 CA--C 1.546 0.827 0 CA-C-O 122.292 1.044 . . . . 0.0 111.235 169.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.85 -151.25 0.05 OUTLIER Glycine 0 CA--C 1.542 1.775 0 C-N-CA 126.195 1.855 . . . . 0.0 116.643 177.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -73.14 85.72 1.37 Allowed 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.191 1.396 . . . . 0.0 112.709 -178.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 77.5 m95 -55.35 116.28 2.76 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 125.428 1.491 . . . . 0.0 110.216 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.99 162.29 29.01 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 126.864 2.066 . . . . 0.0 110.503 -173.032 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -155.38 163.92 39.43 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.598 1.159 . . . . 0.0 111.663 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -138.23 166.14 24.92 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.266 1.426 . . . . 0.0 112.454 176.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.455 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 28.4 t70 -125.12 -0.4 7.79 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 114.781 1.401 . . . . 0.0 114.781 -178.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -95.45 -32.09 13.06 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.164 1.386 . . . . 0.0 111.359 170.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.6 t -125.38 -1.63 7.54 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.308 1.043 . . . . 0.0 113.615 178.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.455 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 2.7 mmpt? 53.64 41.29 32.11 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.801 1.24 . . . . 0.0 113.075 169.154 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 52.7 m -120.92 113.81 20.65 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 125.567 1.547 . . . . 0.0 109.316 -171.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -66.79 159.91 27.02 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 122.054 0.93 . . . . 0.0 110.967 169.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 22.4 m -145.7 161.95 38.69 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 125.687 1.595 . . . . 0.0 107.491 169.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.4 p -153.92 65.76 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 CA-C-O 123.22 1.486 . . . . 0.0 111.189 -179.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 86.1 m -67.99 118.77 11.62 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.113 -0.992 . . . . 0.0 112.734 -172.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -117.04 137.76 52.04 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.346 1.858 . . . . 0.0 113.906 -168.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 27.07 51.05 0.07 OUTLIER Glycine 0 N--CA 1.478 1.46 0 C-N-CA 128.691 3.043 . . . . 0.0 118.05 169.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.5 p -159.87 -41.09 0.05 Allowed 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 126.485 1.914 . . . . 0.0 110.916 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 -130.68 154.13 48.25 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 128.247 2.619 . . . . 0.0 109.152 170.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -144.92 134.23 22.97 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.646 1.178 . . . . 0.0 108.846 169.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 11.8 m80 -56.35 154.33 8.4 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.448 1.499 . . . . 0.0 113.605 -179.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -57.31 145.71 31.24 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 115.093 1.516 . . . . 0.0 115.093 -173.216 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 9.2 p80 -153.44 7.17 0.37 Allowed 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.829 1.651 . . . . 0.0 113.749 176.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . 0.306 0.0 OUTLIER 52.91 179.87 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 128.771 2.828 . . . . 0.0 115.842 -171.401 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 95.3 mtp 57.93 -80.2 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 127.512 2.325 . . . . 0.0 113.52 -169.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -93.56 146.58 23.69 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 119.877 1.217 . . . . 0.0 112.316 -172.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.408 HH12 ' CG ' ' A' ' 68' ' ' ASP 0.429 0.0 OUTLIER 47.4 -4.69 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 120.906 3.669 . . . . 0.0 120.906 -178.966 . . . . . . . . 4 4 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.408 ' CG ' HH12 ' A' ' 67' ' ' ARG . 4.3 m-20 -70.36 77.75 0.55 Allowed 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 120.879 1.672 . . . . 0.0 113.265 173.154 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.8 p -162.32 -49.99 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 127.421 2.289 . . . . 0.0 109.464 169.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 5.2 m -154.34 118.27 2.62 Favored Pre-proline 0 CA--C 1.547 0.828 0 C-N-CA 128.909 2.884 . . . . 0.0 106.535 169.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_exo -48.56 147.4 9.4 Favored 'Trans proline' 0 CA--C 1.54 0.795 0 C-N-CA 124.132 3.222 . . . . 0.0 116.509 -175.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 44.6 mt 63.29 173.48 0.16 Allowed 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 127.954 2.501 . . . . 0.0 115.038 177.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -114.13 21.22 14.97 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 125.765 1.626 . . . . 0.0 112.387 -177.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 9.4 p -65.73 25.0 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 128.951 2.901 . . . . 0.0 114.362 169.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.5 mttp -102.22 140.48 36.44 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 127.39 2.276 . . . . 0.0 109.383 -172.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 80.0 t -140.6 131.65 29.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 CA-C-O 122.094 0.949 . . . . 0.0 113.222 -167.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -88.36 147.5 24.71 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 125.934 1.693 . . . . 0.0 109.237 168.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.4 p -152.55 152.88 10.02 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.285 0 CA-C-O 122.732 1.253 . . . . 0.0 113.335 177.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.35 151.19 23.26 Favored Glycine 0 CA--C 1.535 1.316 0 C-N-CA 125.991 1.757 . . . . 0.0 109.795 168.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -143.56 143.67 31.62 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 119.748 1.774 . . . . 0.0 113.328 -168.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.4 tp 56.17 -30.17 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 130.021 3.328 . . . . 0.0 117.107 -176.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 118.78 -22.21 9.34 Favored Glycine 0 CA--C 1.542 1.731 0 C-N-CA 127.907 2.67 . . . . 0.0 110.81 -168.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -152.72 5.73 0.38 Allowed 'General case' 0 CA--C 1.559 1.295 0 C-N-CA 125.964 1.706 . . . . 0.0 114.387 -175.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -78.2 128.73 34.18 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 120.114 -1.616 . . . . 0.0 110.731 177.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -142.64 55.74 0.58 Allowed Glycine 0 N--CA 1.469 0.879 0 C-N-CA 125.322 1.439 . . . . 0.0 112.493 -177.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -125.26 126.26 44.87 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.805 1.242 . . . . 0.0 109.959 172.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.1 ptmm? -58.13 -36.06 72.39 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 115.372 1.619 . . . . 0.0 115.372 -177.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.2 m -73.02 -31.69 64.62 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 -168.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -64.48 -53.27 50.87 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 119.666 1.121 . . . . 0.0 110.724 174.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.5 pp -65.85 -32.31 73.76 Favored 'General case' 0 C--O 1.22 -0.456 0 C-N-CA 120.474 -0.49 . . . . 0.0 111.865 177.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -55.77 -48.03 76.01 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 120.756 -1.215 . . . . 0.0 111.953 173.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.86 -37.85 82.37 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 119.154 0.888 . . . . 0.0 111.714 170.528 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.17 -36.27 77.2 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.602 1.092 . . . . 0.0 112.601 -178.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.447 ' CE1' ' CD1' ' A' ' 130' ' ' LEU . 21.8 m-85 -83.76 -60.17 2.2 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 125.794 1.638 . . . . 0.0 111.628 179.191 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -50.29 -23.31 5.89 Favored Glycine 0 CA--C 1.548 2.134 0 N-CA-C 115.452 0.941 . . . . 0.0 115.452 173.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -51.63 -51.62 54.23 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.851 1.66 . . . . 0.0 112.702 168.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -72.33 -44.81 62.13 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.221 1.008 . . . . 0.0 111.323 178.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -171.84 168.34 41.43 Favored Glycine 0 N--CA 1.478 1.476 0 CA-C-O 118.839 -0.979 . . . . 0.0 114.478 175.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -70.4 124.5 10.88 Favored 'Trans proline' 0 C--O 1.237 0.446 0 CA-C-N 120.919 2.359 . . . . 0.0 114.154 -169.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 21.1 mt -61.0 162.84 6.53 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.825 2.05 . . . . 0.0 112.763 170.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 28.3 ttp180 -124.79 -29.51 3.39 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 126.461 1.904 . . . . 0.0 111.307 176.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 83.0 p -160.62 155.1 23.55 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.573 1.549 . . . . 0.0 111.069 166.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 78.1 t -139.75 134.42 38.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 126.121 1.768 . . . . 0.0 107.922 -178.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 39.2 t90 -147.49 143.74 28.08 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 177.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -142.03 154.95 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 O-C-N 121.469 -0.769 . . . . 0.0 110.025 170.692 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -97.2 135.67 38.82 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-O 120.916 0.389 . . . . 0.0 110.991 172.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.13 -9.44 21.35 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.472 1.109 . . . . 0.0 112.989 178.548 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -64.7 -44.29 72.97 Favored Pre-proline 0 CA--C 1.56 1.347 0 CA-C-O 118.04 -0.981 . . . . 0.0 112.168 171.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -118.77 82.03 0.0 OUTLIER 'Trans proline' 0 CA--C 1.551 1.364 0 C-N-CA 124.581 3.52 . . . . 0.0 110.873 169.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -53.79 116.76 3.23 Favored 'Trans proline' 0 CA--C 1.538 0.702 0 C-N-CA 123.355 2.703 . . . . 0.0 112.57 -177.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 157.51 -18.33 0.36 Allowed Glycine 0 N--CA 1.475 1.296 0 N-CA-C 115.585 0.994 . . . . 0.0 115.585 173.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -130.69 157.4 42.89 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 125.439 1.496 . . . . 0.0 110.698 -171.024 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -165.98 178.6 6.33 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 124.897 1.279 . . . . 0.0 113.741 -167.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -149.89 157.64 43.37 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.403 1.081 . . . . 0.0 113.819 172.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 32.6 m -143.35 172.2 7.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 CA-C-O 122.739 1.257 . . . . 0.0 113.29 169.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -152.34 127.88 10.05 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 127.05 2.14 . . . . 0.0 106.598 -177.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.42 ' CZ ' ' HB3' ' A' ' 94' ' ' PHE . 57.4 m-85 -109.03 155.87 20.41 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.138 1.375 . . . . 0.0 111.823 -173.249 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -68.95 -14.91 63.32 Favored 'General case' 0 CA--C 1.553 1.076 0 O-C-N 120.467 -1.396 . . . . 0.0 112.603 174.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -141.01 133.0 13.96 Favored Pre-proline 0 CA--C 1.553 1.074 0 C-N-CA 125.063 1.345 . . . . 0.0 112.525 -170.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -78.9 -24.48 7.01 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 123.395 2.73 . . . . 0.0 114.765 -175.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.96 -41.97 81.64 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 120.348 1.431 . . . . 0.0 110.259 171.54 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -66.63 -41.3 88.53 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.242 0.617 . . . . 0.0 112.346 174.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.1 -44.63 97.05 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 118.578 0.626 . . . . 0.0 112.335 171.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.15 -47.93 75.34 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.057 0.543 . . . . 0.0 111.492 178.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -61.57 -37.37 83.61 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.668 1.187 . . . . 0.0 112.302 178.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.37 -55.06 31.62 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 122.905 0.482 . . . . 0.0 110.232 169.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 35.1 t -51.92 -40.36 28.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 124.805 1.242 . . . . 0.0 113.518 177.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -78.92 -26.84 43.74 Favored 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 114.328 1.232 . . . . 0.0 114.328 -179.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -105.19 -21.61 13.22 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 -173.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.447 ' CD1' ' CE1' ' A' ' 94' ' ' PHE . 42.7 mt -80.91 -36.1 31.54 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.6 1.16 . . . . 0.0 113.988 176.307 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -65.02 147.49 53.39 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 115.225 1.565 . . . . 0.0 115.225 -168.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 66.3 -44.37 0.18 Allowed Glycine 0 CA--C 1.538 1.527 0 C-N-CA 128.959 3.171 . . . . 0.0 118.459 169.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 49.6 mtt85 -51.76 -56.49 13.53 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 127.688 2.395 . . . . 0.0 115.082 -169.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.6 m 149.41 150.32 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.958 1 C-N-CA 131.771 4.029 . . . . 0.0 107.322 -169.235 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -143.77 -60.71 0.4 Allowed 'General case' 0 N--CA 1.476 0.864 0 CA-C-O 119.107 -0.473 . . . . 0.0 111.583 171.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 27.7 t -67.19 -42.33 84.37 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 118.741 0.701 . . . . 0.0 111.611 169.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 158.18 4.51 0.07 OUTLIER Glycine 0 CA--C 1.541 1.662 0 N-CA-C 116.305 1.282 . . . . 0.0 116.305 -177.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 5.7 t -157.26 -170.56 3.3 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 127.077 2.151 . . . . 0.0 107.556 177.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -47.73 126.64 10.53 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.547 1.539 . . . . 0.0 113.408 -169.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 12.1 p -117.23 156.12 18.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 126.805 2.042 . . . . 0.0 109.98 177.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.01 134.61 47.53 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 126.962 2.105 . . . . 0.0 108.999 175.299 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 87.2 t -147.9 135.15 13.86 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 169.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 30.8 mp0 -141.15 168.47 19.71 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.095 0.958 . . . . 0.0 110.322 171.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -71.97 135.21 46.36 Favored 'General case' 0 CA--C 1.543 0.673 0 O-C-N 120.253 -1.529 . . . . 0.0 108.616 167.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 37.2 m -58.51 149.05 26.37 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 121.668 0.747 . . . . 0.0 112.618 -179.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -113.58 -79.57 0.58 Allowed 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.201 1.0 . . . . 0.0 108.626 169.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 59.87 -69.06 0.01 OUTLIER Glycine 0 CA--C 1.539 1.572 0 C-N-CA 126.888 2.185 . . . . 0.0 114.942 179.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -150.57 -5.39 0.31 Allowed 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.336 1.854 . . . . 0.0 114.354 173.593 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -61.25 144.91 52.94 Favored 'General case' 0 CA--C 1.51 -0.562 0 CA-C-N 120.058 1.299 . . . . 0.0 112.002 -168.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.029 0 CA-C-N 113.47 -1.696 . . . . 0.0 110.575 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 151' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.045 0 C3'-C2'-C1' 105.098 3.998 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 152' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.272 2 P-O3'-C3' 125.262 4.635 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.728 4 N19-C1'-C2' 123.677 6.423 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.693 2 O4'-C1'-N19 114.198 5.998 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.7 mmt . . . . . 0 N--CA 1.485 1.303 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -88.16 141.26 28.7 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 119.605 1.093 . . . . 0.0 111.533 174.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.431 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 86.9 m-85 -125.6 154.89 41.59 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 127.49 2.316 . . . . 0.0 108.366 -178.746 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -107.34 162.61 13.75 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.563 1.145 . . . . 0.0 111.531 -178.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.6 tp -141.64 140.16 33.21 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 126.899 2.079 . . . . 0.0 110.369 171.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.3 mp -117.97 108.42 24.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 126.002 1.721 . . . . 0.0 108.813 173.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 68.3 mt -80.23 77.84 6.94 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.458 1.103 . . . . 0.0 108.283 169.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -61.91 45.81 0.01 OUTLIER 'General case' 0 CA--C 1.564 1.495 0 C-N-CA 125.819 1.648 . . . . 0.0 114.285 171.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -77.55 119.44 5.29 Favored Glycine 0 CA--C 1.528 0.846 0 O-C-N 119.194 -2.191 . . . . 0.0 112.877 179.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.9 ttpm? -26.2 -64.79 0.07 Allowed 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 127.922 2.489 . . . . 0.0 115.168 -173.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.8 m -98.8 -19.44 17.42 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.317 0.647 . . . . 0.0 112.459 -171.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -117.96 -1.45 11.47 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 117.259 2.318 . . . . 0.0 117.259 -168.053 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -33.75 146.76 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 118.216 2.673 . . . . 0.0 118.216 -168.604 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.88 -165.42 25.25 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 117.69 1.836 . . . . 0.0 117.69 169.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -142.43 157.82 44.35 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.781 1.232 . . . . 0.0 111.853 -175.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.7 t -156.27 -177.16 6.39 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.418 1.487 . . . . 0.0 110.503 171.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 70.7 p -142.57 171.51 13.96 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.686 1.594 . . . . 0.0 110.806 174.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.9 t -158.98 149.39 19.6 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.37 -0.831 . . . . 0.0 111.743 173.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.1 tp10 -74.6 120.51 20.26 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 106.873 -1.528 . . . . 0.0 106.873 167.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -137.54 174.17 10.88 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.58 1.552 . . . . 0.0 112.0 177.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.3 p -84.05 -31.4 7.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 O-C-N 121.482 -0.762 . . . . 0.0 112.469 169.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.431 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 2.1 t70 167.46 -158.09 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.09 1 C-N-CA 132.227 4.211 . . . . 0.0 107.462 176.361 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.76 -22.46 2.14 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 120.467 -1.395 . . . . 0.0 114.135 169.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.91 -5.39 16.64 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.437 1.095 . . . . 0.0 113.628 173.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.0 m -135.48 -37.4 0.77 Allowed 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.646 1.578 . . . . 0.0 112.236 172.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.21 -38.66 91.14 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.717 1.207 . . . . 0.0 111.008 177.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -75.41 4.13 7.89 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 114.435 1.272 . . . . 0.0 114.435 178.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.41 ' HE3' HG22 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -131.89 18.52 4.62 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 120.428 -1.42 . . . . 0.0 111.532 172.884 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.41 HG22 ' HE3' ' A' ' 28' ' ' LYS . 3.6 t -120.06 -51.97 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 125.358 1.463 . . . . 0.0 110.094 178.013 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -61.71 -26.33 67.97 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 176.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -54.4 -29.11 47.89 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.113 1.365 . . . . 0.0 113.164 173.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -82.79 -50.92 8.15 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.304 0.642 . . . . 0.0 110.406 178.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -60.08 -43.44 95.47 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.025 0.93 . . . . 0.0 112.231 179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.15 -51.99 67.4 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 121.322 -0.861 . . . . 0.0 111.064 178.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 59.4 m-80 -70.41 -18.55 63.02 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-O 117.915 -1.04 . . . . 0.0 113.769 -179.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . 0.323 1.1 p30 -86.16 -17.22 35.49 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 120.267 1.394 . . . . 0.0 114.116 171.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 58.9 m-80 -84.61 -41.14 16.68 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 166.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.29 -1.16 5.71 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 128.758 3.075 . . . . 0.0 115.436 171.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 55.7 t -80.77 154.13 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 CA-C-N 118.805 1.303 . . . . 0.0 113.079 177.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -169.32 48.52 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 126.029 1.732 . . . . 0.0 111.267 168.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -83.37 -137.11 3.01 Favored Glycine 0 CA--C 1.538 1.528 0 C-N-CA 125.354 1.454 . . . . 0.0 116.135 -176.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -70.67 82.22 0.61 Allowed 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.477 1.111 . . . . 0.0 112.752 -176.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 80.4 m95 -59.95 109.68 1.01 Allowed 'General case' 0 C--O 1.236 0.344 0 O-C-N 120.113 -1.617 . . . . 0.0 110.515 -179.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.84 163.66 21.71 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 127.028 2.131 . . . . 0.0 110.968 -174.669 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -153.66 166.26 33.37 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.056 1.342 . . . . 0.0 111.14 179.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -139.79 158.2 44.49 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.058 1.343 . . . . 0.0 111.426 175.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.492 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -120.62 4.93 10.6 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 -177.298 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -102.18 -29.98 11.4 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.766 1.626 . . . . 0.0 111.73 170.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.4 t -126.11 1.17 7.2 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.273 1.029 . . . . 0.0 113.582 177.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.492 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 3.2 mmpt? 52.55 41.98 31.25 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.092 1.357 . . . . 0.0 113.631 168.697 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.2 m -122.84 112.81 18.32 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 125.708 1.603 . . . . 0.0 109.363 -170.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -66.08 160.09 24.64 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.127 0.971 . . . . 0.0 111.32 169.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 23.7 m -145.41 157.94 43.93 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 125.365 1.466 . . . . 0.0 108.201 169.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.2 p -157.29 82.26 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 C-N-CA 124.902 1.281 . . . . 0.0 110.922 -179.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 28.3 m -74.96 115.59 14.75 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.186 0.994 . . . . 0.0 112.361 -177.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.5 159.53 16.98 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.426 1.49 . . . . 0.0 113.187 175.277 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -160.59 -18.48 0.03 OUTLIER Glycine 0 CA--C 1.534 1.228 0 CA-C-O 117.697 -1.613 . . . . 0.0 114.983 169.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.5 t -164.01 -7.86 0.03 OUTLIER 'General case' 0 CA--C 1.551 0.991 0 N-CA-C 116.502 2.038 . . . . 0.0 116.502 -174.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 13.4 t-160 -66.29 -37.56 85.71 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 120.865 1.666 . . . . 0.0 113.026 -176.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 -145.45 -39.28 0.24 Allowed 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.602 1.961 . . . . 0.0 111.192 177.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -71.86 106.6 4.26 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.335 1.454 . . . . 0.0 109.913 169.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 -54.53 156.45 3.42 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 125.885 1.674 . . . . 0.0 114.474 -177.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -61.47 -22.78 65.37 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 126.077 1.751 . . . . 0.0 114.949 -174.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 32.5 t-80 -150.31 159.82 44.17 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.846 1.658 . . . . 0.0 110.923 -171.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 40.6 tpp -152.7 -32.07 0.13 Allowed 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 115.21 1.559 . . . . 0.0 115.21 -176.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 18.6 p80 -154.35 171.76 18.78 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.322 1.449 . . . . 0.0 111.492 -174.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? -61.19 165.34 4.49 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.555 0.742 . . . . 0.0 112.344 176.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -146.26 161.9 39.26 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 -167.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -163.98 154.94 15.77 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 127.522 2.329 . . . . 0.0 108.795 168.461 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 78.6 m 106.8 -19.84 0.0 OUTLIER Pre-proline 0 CA--C 1.559 1.292 0 C-N-CA 131.223 3.809 . . . . 0.0 116.22 -171.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -78.39 66.74 8.42 Favored 'Trans proline' 0 C--N 1.361 1.235 0 CA-C-N 124.386 2.602 . . . . 0.0 111.846 179.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.5 tp 65.95 -43.04 0.38 Allowed 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 129.351 3.061 . . . . 0.0 114.296 -170.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 51.36 -67.4 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 129.865 3.266 . . . . 0.0 115.272 -173.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 57.44 -11.12 0.02 OUTLIER 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 129.204 3.002 . . . . 0.0 117.476 177.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 38.2 mttm -99.25 148.71 23.85 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 127.526 2.33 . . . . 0.0 110.367 -175.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 24.0 t -135.61 140.35 44.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 125.617 1.567 . . . . 0.0 111.042 -169.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -95.0 148.62 22.14 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 125.748 1.619 . . . . 0.0 108.962 168.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -153.75 155.45 6.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 122.8 1.286 . . . . 0.0 112.897 174.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -147.8 149.31 21.38 Favored Glycine 0 CA--C 1.534 1.224 0 C-N-CA 125.287 1.422 . . . . 0.0 110.441 168.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 12.4 p-10 -160.08 152.01 20.28 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.337 -1.096 . . . . 0.0 113.527 -169.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 37.2 tp 56.56 -57.17 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 130.226 3.41 . . . . 0.0 116.623 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 117.09 -17.4 12.77 Favored Glycine 0 CA--C 1.541 1.677 0 C-N-CA 127.191 2.329 . . . . 0.0 112.568 -169.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -150.13 37.89 0.71 Allowed 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 125.497 1.519 . . . . 0.0 114.078 -175.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 39.8 t-20 -132.52 117.61 18.21 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.369 1.468 . . . . 0.0 110.852 169.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -133.8 49.94 0.89 Allowed Glycine 0 CA--C 1.533 1.166 0 C-N-CA 126.35 1.929 . . . . 0.0 111.315 172.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -122.65 4.23 9.54 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 125.655 1.582 . . . . 0.0 113.092 -170.085 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.25 15.6 pttp 52.01 -29.4 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 131.228 3.811 . . . . 0.0 119.707 -175.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 66.8 m -47.79 -49.78 27.71 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 120.9 1.682 . . . . 0.0 115.053 -169.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -76.35 -45.87 30.09 Favored 'General case' 0 CA--C 1.529 0.157 0 O-C-N 121.54 -0.725 . . . . 0.0 111.662 -178.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.6 pp -61.31 -33.6 73.86 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.708 1.14 . . . . 0.0 111.915 176.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -61.44 -48.3 81.77 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.602 1.561 . . . . 0.0 112.178 175.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.52 -39.35 88.59 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 119.478 1.035 . . . . 0.0 111.873 171.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.01 -42.45 99.17 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 124.208 1.003 . . . . 0.0 111.987 -177.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.446 ' CD2' HG21 ' A' ' 115' ' ' VAL . 10.3 m-85 -68.14 -63.04 1.14 Allowed 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 124.918 1.287 . . . . 0.0 110.988 174.119 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -57.66 -19.72 36.31 Favored Glycine 0 CA--C 1.545 1.951 0 N-CA-C 115.729 1.052 . . . . 0.0 115.729 -175.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -55.78 -49.1 74.08 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.828 2.051 . . . . 0.0 112.956 168.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -65.85 -41.99 91.03 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.377 0.671 . . . . 0.0 110.484 173.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -179.68 162.32 28.84 Favored Glycine 0 N--CA 1.471 1.005 0 CA-C-O 118.656 -1.08 . . . . 0.0 114.136 169.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -58.7 147.95 85.23 Favored 'Trans proline' 0 CA--C 1.534 0.488 0 C-N-CA 122.52 2.147 . . . . 0.0 114.772 -168.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 14.2 mt -100.31 140.72 34.15 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.967 1.707 . . . . 0.0 110.756 -175.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 27.2 ttp-105 -96.15 -29.03 14.29 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.288 1.435 . . . . 0.0 112.033 173.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.406 ' HG ' ' HB3' ' A' ' 116' ' ' GLU . 20.3 p -155.73 155.57 33.35 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.789 1.236 . . . . 0.0 111.889 168.358 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 11.2 t -143.37 136.22 24.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 125.547 1.539 . . . . 0.0 107.945 173.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 72.8 t90 -145.2 147.68 32.71 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 124.83 1.252 . . . . 0.0 111.105 -174.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.2 m -143.84 153.32 15.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 124.109 0.964 . . . . 0.0 110.317 176.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -100.05 128.72 46.09 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 121.373 0.606 . . . . 0.0 111.443 -174.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 34.6 ptt-85 -71.97 -29.26 64.07 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 114.665 1.358 . . . . 0.0 114.665 -176.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 31.5 m-20 -78.22 -40.19 1.84 Allowed Pre-proline 0 CA--C 1.55 0.953 0 CA-C-O 117.834 -1.079 . . . . 0.0 112.711 -177.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -111.54 82.01 0.01 OUTLIER 'Trans proline' 0 CA--C 1.549 1.231 0 C-N-CA 124.87 3.713 . . . . 0.0 110.064 169.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -71.52 69.13 2.75 Favored 'Trans proline' 0 CA--C 1.543 0.962 0 C-N-CA 124.358 3.372 . . . . 0.0 112.826 -176.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -169.35 20.3 0.08 OUTLIER Glycine 0 CA--C 1.538 1.529 0 C-N-CA 127.917 2.675 . . . . 0.0 111.885 173.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -146.64 145.31 30.01 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 128.031 2.533 . . . . 0.0 108.261 -169.538 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -158.91 170.68 21.56 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 114.197 1.184 . . . . 0.0 114.197 -168.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -142.95 163.08 33.75 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.111 0.964 . . . . 0.0 111.833 169.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.446 HG21 ' CD2' ' A' ' 94' ' ' PHE . 1.4 t -152.52 163.31 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 125.523 1.529 . . . . 0.0 111.845 -171.324 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.406 ' HB3' ' HG ' ' A' ' 102' ' ' SER . 60.1 tt0 -142.38 121.45 12.91 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.409 1.484 . . . . 0.0 107.608 165.593 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -84.36 168.55 15.49 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.555 -0.716 . . . . 0.0 112.507 178.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -74.94 -42.8 57.0 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 121.147 -0.97 . . . . 0.0 112.149 176.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -116.28 129.22 25.39 Favored Pre-proline 0 CA--C 1.547 0.843 0 C-N-CA 126.55 1.94 . . . . 0.0 108.568 174.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -50.92 -26.83 19.16 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 123.705 2.937 . . . . 0.0 114.722 173.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.27 -25.47 63.37 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 119.006 0.821 . . . . 0.0 112.993 173.029 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -68.81 -44.34 73.75 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 119.689 1.131 . . . . 0.0 110.233 169.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.82 -37.41 84.32 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.063 0.545 . . . . 0.0 111.861 171.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.34 -43.77 89.84 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.355 0.98 . . . . 0.0 112.431 173.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -56.64 -41.4 77.1 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 119.046 0.839 . . . . 0.0 111.696 171.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -73.43 -45.58 53.61 Favored 'General case' 0 CA--C 1.545 0.772 0 O-C-N 121.41 -0.806 . . . . 0.0 112.199 179.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 55.9 t -61.71 -26.72 40.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 O-C-N 119.764 -1.835 . . . . 0.0 112.342 174.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 31.1 ttp-105 -85.51 -37.91 19.15 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.425 1.09 . . . . 0.0 113.685 174.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -120.62 -26.59 5.28 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 116.3 1.963 . . . . 0.0 116.3 -167.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.41 ' CD2' ' CD1' ' A' ' 94' ' ' PHE . 6.7 tp -87.37 -19.73 27.72 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 126.012 1.725 . . . . 0.0 112.23 176.392 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -70.91 147.37 48.83 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.613 1.565 . . . . 0.0 113.366 169.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 60.26 -10.57 0.04 OUTLIER Glycine 0 CA--C 1.536 1.368 0 N-CA-C 122.013 3.565 . . . . 0.0 122.013 167.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -76.12 -83.4 0.07 Allowed 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 121.884 2.842 . . . . 0.0 110.387 -178.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 4.3 m -176.97 148.06 0.62 Allowed 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 129.792 3.237 . . . . 0.0 106.772 -177.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 15.9 tp -158.74 143.08 15.69 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 104.817 -2.29 . . . . 0.0 104.817 170.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 22.2 m 67.59 -49.94 0.51 Allowed 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.465 1.906 . . . . 0.0 111.262 -167.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 147.89 26.63 0.07 OUTLIER Glycine 0 CA--C 1.531 1.087 0 N-CA-C 118.662 2.225 . . . . 0.0 118.662 167.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 2.2 m -141.55 -73.29 0.33 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 120.247 2.023 . . . . 0.0 109.221 174.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -135.26 153.76 51.79 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.468 1.107 . . . . 0.0 111.691 179.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 8.6 p -143.89 144.17 23.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 C-N-CA 127.141 2.176 . . . . 0.0 108.557 169.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.38 129.35 18.48 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 126.065 1.746 . . . . 0.0 108.601 179.408 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 60.7 t -144.49 132.15 17.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 123.661 0.784 . . . . 0.0 108.958 -169.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -137.01 165.67 25.48 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.639 1.109 . . . . 0.0 111.378 177.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 16.0 tp -75.6 129.52 37.32 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 120.651 -1.28 . . . . 0.0 108.656 169.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 33.4 t -63.44 127.5 31.59 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.531 0.682 . . . . 0.0 110.956 -173.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -137.77 2.63 2.42 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.157 1.783 . . . . 0.0 112.783 -170.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -69.21 -48.76 44.2 Favored Glycine 0 CA--C 1.535 1.287 0 CA-C-N 119.567 1.076 . . . . 0.0 113.148 173.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -159.4 162.21 35.75 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.683 1.593 . . . . 0.0 111.36 170.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -112.23 92.69 4.12 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 126.656 1.983 . . . . 0.0 109.209 -173.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.188 0 C-N-CA 127.834 2.453 . . . . 0.0 113.097 -168.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 151' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.981 1 C3'-C2'-C1' 105.613 4.57 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 152' ' ' ' A' . . . . . 0.503 " H4'" ' C5 ' ' B' ' 153' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.533 1.791 2 P-O3'-C3' 125.76 5.05 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 153' ' ' ' U' . . . . . 0.503 ' C5 ' " H4'" ' B' ' 152' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.545 2.677 1 C3'-C2'-C1' 106.604 5.671 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.813 4 O4'-C1'-N19 114.04 5.84 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 mpp? . . . . . 0 N--CA 1.485 1.312 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -86.87 142.45 28.03 Favored 'General case' 0 CA--C 1.547 0.833 0 O-C-N 120.817 -1.177 . . . . 0.0 112.054 177.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.452 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 73.3 m-85 -125.97 158.44 35.23 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 127.515 2.326 . . . . 0.0 108.794 179.387 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 73.6 tttt -108.43 161.76 14.74 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.068 1.347 . . . . 0.0 111.575 -179.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 24.0 tp -142.11 142.68 32.81 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 127.024 2.13 . . . . 0.0 110.272 172.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.4 mp -117.17 127.48 74.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 126.164 1.786 . . . . 0.0 109.238 172.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.8 mp -109.16 64.79 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 129.046 2.938 . . . . 0.0 109.152 -174.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -63.84 37.77 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 128.857 2.863 . . . . 0.0 117.016 -174.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.86 145.67 18.38 Favored Glycine 0 CA--C 1.524 0.629 0 O-C-N 120.92 -1.113 . . . . 0.0 115.202 -168.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.2 tptp -44.91 -38.41 4.63 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 128.385 2.674 . . . . 0.0 115.777 -169.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.2 p -123.75 9.14 8.86 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 -170.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.4 pp -149.35 -7.8 0.34 Allowed 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 117.657 2.465 . . . . 0.0 117.657 -168.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . 0.278 0.0 OUTLIER -20.62 133.09 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 119.379 3.103 . . . . 0.0 119.379 -166.726 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -172.94 -156.79 13.32 Favored Glycine 0 N--CA 1.469 0.867 0 N-CA-C 118.041 1.976 . . . . 0.0 118.041 170.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -145.35 163.89 33.16 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.831 1.653 . . . . 0.0 111.453 -176.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.3 t -159.01 -176.12 5.68 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.777 1.631 . . . . 0.0 111.015 170.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 65.8 p -142.9 168.16 20.37 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 126.244 1.818 . . . . 0.0 110.93 173.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.405 HG21 ' CG1' ' A' ' 29' ' ' VAL . 4.8 t -156.07 149.77 24.99 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.367 1.067 . . . . 0.0 111.085 177.418 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -77.63 119.24 20.9 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 167.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.45 175.4 9.64 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.284 1.434 . . . . 0.0 113.096 176.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.438 ' H ' ' HB ' ' A' ' 25' ' ' THR . 50.0 t -84.85 -38.44 13.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 O-C-N 121.345 -0.847 . . . . 0.0 111.673 170.56 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.452 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 2.8 t70 174.69 -156.8 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 131.248 3.819 . . . . 0.0 106.891 173.243 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.82 -21.44 1.68 Allowed 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 120.618 1.554 . . . . 0.0 114.082 169.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.18 -7.32 22.73 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.971 1.309 . . . . 0.0 113.848 173.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.438 ' HB ' ' H ' ' A' ' 21' ' ' VAL . 53.4 m -138.0 -36.1 0.62 Allowed 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.977 1.711 . . . . 0.0 112.218 176.364 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.9 -36.15 83.43 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.047 1.339 . . . . 0.0 110.594 175.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -77.66 5.51 9.09 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 114.993 1.479 . . . . 0.0 114.993 178.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.61 16.43 3.98 Favored 'General case' 0 N--CA 1.464 0.265 0 O-C-N 120.415 -1.428 . . . . 0.0 111.932 173.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.405 ' CG1' HG21 ' A' ' 18' ' ' THR . 3.1 p -124.38 -41.02 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 124.205 1.002 . . . . 0.0 112.411 -179.686 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -65.16 -29.62 70.47 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 118.997 -0.525 . . . . 0.0 111.826 170.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -55.22 -28.76 55.43 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.046 1.338 . . . . 0.0 113.146 177.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.44 -57.17 3.91 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 122.996 0.518 . . . . 0.0 110.445 175.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -63.69 -38.97 93.1 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.574 1.15 . . . . 0.0 112.473 -174.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.81 -52.78 62.81 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 125.204 1.402 . . . . 0.0 111.181 174.011 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 -63.2 -22.69 67.03 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 177.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -81.25 -27.81 35.02 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 119.336 0.971 . . . . 0.0 113.463 174.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -76.75 -45.25 29.92 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 107.132 -1.432 . . . . 0.0 107.132 168.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 139.23 -8.04 3.19 Favored Glycine 0 CA--C 1.529 0.952 0 C-N-CA 127.1 2.286 . . . . 0.0 114.159 167.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.7 m -70.08 153.77 8.44 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.109 0.964 . . . . 0.0 113.367 176.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -168.92 22.59 0.02 OUTLIER 'General case' 0 CA--C 1.56 1.336 0 N-CA-C 115.53 1.678 . . . . 0.0 115.53 169.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.99 -131.18 0.58 Allowed Glycine 0 CA--C 1.541 1.71 0 C-N-CA 127.299 2.38 . . . . 0.0 116.194 -171.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -71.77 81.4 0.87 Allowed 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.067 1.347 . . . . 0.0 112.621 -175.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 87.3 m95 -60.23 118.51 6.46 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 124.675 1.19 . . . . 0.0 110.836 179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.74 163.46 22.79 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 126.796 2.039 . . . . 0.0 110.916 -172.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -151.28 167.08 28.98 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.848 1.259 . . . . 0.0 111.219 177.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -139.65 125.26 19.32 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.57 1.548 . . . . 0.0 108.974 170.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.421 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 3.5 m-20 -84.48 -3.14 58.21 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 115.1 1.518 . . . . 0.0 115.1 -175.28 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -107.73 -29.49 9.08 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.066 1.346 . . . . 0.0 112.29 -178.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.1 t -111.63 0.46 16.37 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.671 0.789 . . . . 0.0 112.686 172.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.421 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 4.1 mmpt? 54.61 39.59 31.3 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 126.122 1.769 . . . . 0.0 113.008 169.472 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.9 m -122.74 108.8 13.46 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.93 1.292 . . . . 0.0 109.904 -170.222 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -64.71 161.64 17.46 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 122.395 1.093 . . . . 0.0 111.33 169.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 26.5 m -145.46 159.01 43.72 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 125.5 1.52 . . . . 0.0 107.519 169.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.2 p -148.28 124.03 2.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 C-N-CA 126.768 2.027 . . . . 0.0 106.473 171.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.6 m -129.59 129.08 43.95 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-O 121.863 0.839 . . . . 0.0 111.328 -176.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -82.92 62.95 6.76 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.367 1.067 . . . . 0.0 112.46 -169.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.65 85.96 0.04 OUTLIER Glycine 0 CA--C 1.534 1.228 0 C-N-CA 125.857 1.694 . . . . 0.0 110.592 169.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 54.9 p -128.06 12.18 6.62 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 126.124 1.77 . . . . 0.0 114.533 -168.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -71.63 38.12 0.06 Allowed 'General case' 0 CA--C 1.556 1.179 0 C-N-CA 126.981 2.113 . . . . 0.0 113.794 179.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 20.2 t-80 -138.99 7.39 2.46 Favored 'General case' 0 CA--C 1.557 1.222 0 C-N-CA 126.453 1.901 . . . . 0.0 113.282 -169.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -142.55 -69.85 0.34 Allowed 'General case' 0 N--CA 1.478 0.967 0 O-C-N 120.178 -1.576 . . . . 0.0 113.996 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -161.43 73.53 0.44 Allowed 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.472 1.109 . . . . 0.0 110.379 -172.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.451 ' CG ' ' H ' ' A' ' 64' ' ' HIS . 20.1 t-80 46.11 -113.36 0.42 Allowed 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 124.818 1.247 . . . . 0.0 112.029 -179.526 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.451 ' H ' ' CG ' ' A' ' 63' ' ' HIS . 28.9 t-80 -152.07 133.93 14.86 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.584 1.954 . . . . 0.0 108.726 171.332 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 27.7 ttt -154.99 147.8 24.47 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.05 0.94 . . . . 0.0 111.573 -178.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 46.1 m-70 -141.25 151.57 43.82 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 125.67 1.588 . . . . 0.0 111.507 176.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -154.8 49.67 0.59 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.421 1.888 . . . . 0.0 108.407 170.195 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -141.39 -77.52 0.28 Allowed 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 126.0 1.72 . . . . 0.0 109.839 -169.138 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.2 t -81.88 171.28 14.66 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 119.204 0.911 . . . . 0.0 110.538 168.252 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 56.8 m -121.55 -24.68 0.06 OUTLIER Pre-proline 0 CA--C 1.553 1.088 0 N-CA-C 118.92 2.933 . . . . 0.0 118.92 -168.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -80.02 45.83 2.07 Favored 'Trans proline' 0 CA--C 1.551 1.371 0 C-N-CA 123.765 2.977 . . . . 0.0 113.579 -173.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.1 mp -118.67 24.65 10.76 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 127.968 2.507 . . . . 0.0 110.071 -174.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -58.07 -5.32 0.44 Allowed 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 117.475 2.398 . . . . 0.0 117.475 -168.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 20.6 p -65.22 -18.55 65.4 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 114.882 1.438 . . . . 0.0 114.882 178.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . 0.253 0.0 OUTLIER -76.12 128.32 34.73 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 119.186 0.903 . . . . 0.0 112.555 170.303 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 55.8 t -127.27 143.47 40.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 127.733 2.413 . . . . 0.0 111.789 -168.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -93.94 148.82 21.78 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 126.295 1.838 . . . . 0.0 110.839 170.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -152.21 148.77 14.18 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.151 0 CA-C-O 122.706 1.241 . . . . 0.0 113.14 169.664 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -149.52 136.89 5.96 Favored Glycine 0 CA--C 1.528 0.896 0 C-N-CA 125.435 1.493 . . . . 0.0 109.376 168.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -155.28 147.25 23.49 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 115.563 1.69 . . . . 0.0 115.563 -168.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.3 tt 57.89 -50.54 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 131.39 3.876 . . . . 0.0 116.002 178.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 133.86 -26.0 3.49 Favored Glycine 0 CA--C 1.54 1.625 0 C-N-CA 128.108 2.766 . . . . 0.0 110.561 -168.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -144.84 116.5 8.15 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.883 2.073 . . . . 0.0 109.996 171.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -150.52 7.05 0.56 Allowed 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 127.719 2.408 . . . . 0.0 113.083 -178.218 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -74.84 36.09 1.04 Allowed Glycine 0 CA--C 1.536 1.404 0 C-N-CA 126.847 2.165 . . . . 0.0 116.114 -170.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -125.26 3.8 7.81 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 127.188 2.195 . . . . 0.0 111.364 173.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.4 pttp 52.27 -20.22 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 130.975 3.71 . . . . 0.0 119.578 -175.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 19.1 m -45.66 -56.88 4.69 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 126.076 1.75 . . . . 0.0 115.365 -169.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 50.9 tt0 -75.95 -43.93 42.47 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 121.454 -0.779 . . . . 0.0 111.219 -175.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.5 pp -60.98 -34.06 74.19 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 119.314 0.961 . . . . 0.0 112.034 177.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -63.37 -46.4 86.69 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 124.759 1.224 . . . . 0.0 111.707 177.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.2 -36.98 82.87 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 119.155 0.888 . . . . 0.0 112.197 170.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.06 -44.95 95.57 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.096 0.958 . . . . 0.0 111.567 -177.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.422 ' CD1' ' CD2' ' A' ' 130' ' ' LEU . 12.5 m-85 -66.6 -64.09 0.93 Allowed 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 124.898 1.279 . . . . 0.0 112.011 174.49 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.44 -19.18 46.53 Favored Glycine 0 CA--C 1.546 1.974 0 N-CA-C 115.323 0.889 . . . . 0.0 115.323 -173.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -54.94 -49.3 71.69 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.987 1.715 . . . . 0.0 113.218 168.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -69.61 -41.06 76.19 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.431 0.692 . . . . 0.0 111.125 176.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -172.13 155.58 23.89 Favored Glycine 0 N--CA 1.472 1.059 0 CA-C-O 118.177 -1.346 . . . . 0.0 113.51 169.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -57.18 141.67 94.42 Favored 'Trans proline' 0 N--CA 1.462 -0.362 0 CA-C-N 121.255 2.527 . . . . 0.0 114.562 -169.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 17.9 mt -87.05 159.27 19.01 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.461 1.504 . . . . 0.0 111.475 171.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 33.1 ttp-105 -118.78 -30.46 5.09 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.679 1.592 . . . . 0.0 111.983 171.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.2 m -144.96 148.56 33.94 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.821 1.249 . . . . 0.0 110.706 169.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 68.8 t -138.17 131.06 40.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 125.452 1.501 . . . . 0.0 107.749 171.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 77.1 t90 -139.38 144.08 38.02 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 125.333 1.453 . . . . 0.0 110.04 -170.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 10.5 m -144.53 155.52 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 C-N-CA 124.391 1.076 . . . . 0.0 108.887 177.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -105.58 128.91 53.88 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 122.805 0.442 . . . . 0.0 110.187 176.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.83 -42.72 99.85 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-O 118.779 -0.629 . . . . 0.0 111.381 174.059 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -50.16 -61.65 3.48 Favored Pre-proline 0 CA--C 1.549 0.919 0 CA-C-O 117.247 -1.358 . . . . 0.0 111.299 -170.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -99.04 95.18 0.06 OUTLIER 'Trans proline' 0 CA--C 1.55 1.31 0 C-N-CA 123.638 2.892 . . . . 0.0 106.107 165.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -70.87 26.43 0.21 Allowed 'Trans proline' 0 CA--C 1.543 0.936 0 C-N-CA 124.064 3.176 . . . . 0.0 115.81 -168.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -137.1 17.73 3.58 Favored Glycine 0 N--CA 1.476 1.315 0 C-N-CA 125.978 1.751 . . . . 0.0 113.571 -178.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -136.68 146.43 45.91 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 127.41 2.284 . . . . 0.0 108.583 -174.376 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -163.61 175.92 10.17 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 -166.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -147.35 147.52 30.4 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.476 0.71 . . . . 0.0 111.733 172.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 17.1 m -135.5 170.8 18.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 O-C-N 120.734 -1.229 . . . . 0.0 112.993 178.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 48.9 tt0 -141.48 110.2 6.09 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 125.745 1.618 . . . . 0.0 107.785 179.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -75.86 160.56 29.81 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 173.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -58.01 -44.38 87.21 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.773 -0.579 . . . . 0.0 111.557 174.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -139.16 148.2 56.35 Favored Pre-proline 0 CA--C 1.546 0.802 0 O-C-N 120.956 -1.09 . . . . 0.0 111.531 -179.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_exo -49.74 -34.55 36.01 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 124.26 3.307 . . . . 0.0 115.253 177.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.34 -31.07 71.66 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 173.506 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -74.25 -44.43 52.99 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 118.327 0.512 . . . . 0.0 110.989 174.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.82 -39.21 88.16 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 172.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.13 -48.58 73.08 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 118.838 0.745 . . . . 0.0 112.324 176.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -58.04 -42.19 84.84 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 118.932 0.787 . . . . 0.0 111.817 174.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.78 -62.82 1.4 Allowed 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 123.146 0.579 . . . . 0.0 109.949 177.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 46.5 t -50.2 -40.46 17.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.559 1.144 . . . . 0.0 112.276 -179.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 37.9 ttp-105 -63.27 -42.06 99.09 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 177.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -102.06 -12.97 17.73 Favored 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 115.764 1.764 . . . . 0.0 115.764 -177.311 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.422 ' CD2' ' CD1' ' A' ' 94' ' ' PHE . 12.3 tp -106.63 -18.19 14.03 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 126.222 1.809 . . . . 0.0 113.584 -169.145 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -81.84 158.93 23.86 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 124.966 1.306 . . . . 0.0 113.149 177.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 60.17 -17.39 0.04 OUTLIER Glycine 0 CA--C 1.54 1.608 0 C-N-CA 129.129 3.252 . . . . 0.0 120.265 169.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 60.7 mtt85 -86.82 -37.48 17.73 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-N 119.413 1.607 . . . . 0.0 114.932 -169.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.4 t 123.57 160.23 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.627 1 C-N-CA 133.541 4.737 . . . . 0.0 110.245 -178.248 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 58.1 tp -161.66 138.89 8.65 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 127.664 2.386 . . . . 0.0 105.599 -178.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 53.0 m 66.17 -54.4 0.39 Allowed 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 125.002 1.321 . . . . 0.0 110.528 -167.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 141.7 60.64 0.03 OUTLIER Glycine 0 C--N 1.349 1.259 0 N-CA-C 118.544 2.178 . . . . 0.0 118.544 167.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 43.8 t -155.5 -61.77 0.11 Allowed 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 118.999 1.4 . . . . 0.0 111.721 169.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -164.56 150.06 10.17 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 126.283 1.833 . . . . 0.0 109.901 174.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 9.2 p -133.32 145.63 33.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 124.118 0.967 . . . . 0.0 112.397 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.99 121.78 28.69 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 128.015 2.526 . . . . 0.0 107.097 169.549 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 24.0 t -138.49 126.59 29.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 106.756 -1.572 . . . . 0.0 106.756 176.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -144.47 177.34 8.72 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 121.034 -1.041 . . . . 0.0 111.765 -169.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 9.5 mp -83.69 128.13 34.3 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 120.246 -1.534 . . . . 0.0 108.252 169.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.1 m -54.66 122.06 9.83 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.179 0.592 . . . . 0.0 111.458 177.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -136.91 -1.0 2.24 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.41 1.884 . . . . 0.0 111.718 -174.632 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -65.2 171.29 24.21 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 124.756 1.17 . . . . 0.0 114.445 175.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -136.83 149.82 47.95 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 126.229 1.812 . . . . 0.0 108.539 173.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . 0.422 ' HE2' ' HB2' ' A' ' 149' ' ' LYS . 0.0 OUTLIER -105.45 151.62 24.02 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 114.093 1.145 . . . . 0.0 114.093 -168.082 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.254 1.339 0 C-N-CA 125.736 1.614 . . . . 0.0 113.047 -169.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 151' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.099 3 C3'-C2'-C1' 105.753 4.725 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 152' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.433 -1.632 4 P-O3'-C3' 126.167 5.389 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.397 0 C3'-C2'-C1' 104.38 3.2 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.254 2 O4'-C1'-N19 113.043 4.843 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.5 tpt . . . . . 0 N--CA 1.486 1.337 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -92.66 136.33 33.32 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.915 1.234 . . . . 0.0 111.73 176.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.436 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 81.1 m-85 -122.53 153.17 39.57 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 127.158 2.183 . . . . 0.0 108.527 -175.473 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -105.95 163.13 13.0 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.344 1.058 . . . . 0.0 111.285 178.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.9 tp -144.18 139.14 28.59 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 127.023 2.129 . . . . 0.0 109.819 172.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.6 mp -115.0 109.02 26.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 125.867 1.667 . . . . 0.0 108.324 171.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 78.4 mt -77.35 74.79 3.91 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 124.804 1.242 . . . . 0.0 109.153 169.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.412 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 26.7 t30 -66.71 45.72 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 125.825 1.65 . . . . 0.0 114.813 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.78 125.49 7.96 Favored Glycine 0 CA--C 1.525 0.684 0 O-C-N 120.653 -1.279 . . . . 0.0 113.235 -177.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -35.9 -51.82 0.72 Allowed 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 128.61 2.764 . . . . 0.0 115.003 -172.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -113.76 1.64 14.91 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.521 1.128 . . . . 0.0 113.128 -169.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -146.49 -1.69 0.7 Allowed 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 117.092 2.256 . . . . 0.0 117.092 -169.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.403 ' HE2' ' H ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -34.61 149.03 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 119.308 3.077 . . . . 0.0 119.308 -168.519 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -166.63 -155.14 8.75 Favored Glycine 0 CA--C 1.533 1.188 0 CA-C-N 114.043 -1.435 . . . . 0.0 115.885 169.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -158.93 163.76 36.24 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.773 1.629 . . . . 0.0 112.275 -175.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.8 t -159.0 -174.96 5.01 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 126.185 1.794 . . . . 0.0 110.391 174.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 78.2 p -141.01 172.26 12.92 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.612 1.565 . . . . 0.0 110.522 172.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.3 t -158.88 152.47 23.01 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 121.131 -0.98 . . . . 0.0 111.538 173.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -79.29 123.61 27.61 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 167.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -143.93 173.93 11.28 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.115 1.766 . . . . 0.0 112.077 -178.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.1 p -86.36 -31.61 6.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 O-C-N 121.567 -0.708 . . . . 0.0 112.75 171.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.436 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 2.1 t70 167.82 -157.79 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.077 1 C-N-CA 131.992 4.117 . . . . 0.0 107.588 176.017 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.62 -22.49 2.04 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 120.439 -1.413 . . . . 0.0 114.194 169.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.95 -4.68 13.87 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.28 1.032 . . . . 0.0 113.756 173.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.5 m -137.07 -37.29 0.65 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.482 1.513 . . . . 0.0 112.278 173.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.22 -38.73 91.34 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.726 1.21 . . . . 0.0 111.088 176.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -74.51 3.3 7.85 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 179.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.65 19.96 4.26 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 125.557 1.543 . . . . 0.0 111.729 174.447 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.8 t -124.15 -48.94 2.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 124.94 1.296 . . . . 0.0 109.892 177.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -62.5 -29.74 70.76 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 176.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -55.82 -32.55 63.67 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.192 0.997 . . . . 0.0 112.249 174.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -75.47 -51.69 12.43 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.239 0.616 . . . . 0.0 109.951 -179.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -61.62 -43.6 98.55 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.896 1.278 . . . . 0.0 112.529 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.74 -50.78 71.2 Favored 'General case' 0 N--CA 1.453 -0.281 0 O-C-N 121.267 -0.896 . . . . 0.0 111.249 178.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -70.88 -18.87 62.67 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-O 117.847 -1.073 . . . . 0.0 113.5 -179.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . 0.316 1.4 p30 -88.91 -17.79 28.84 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 120.146 1.339 . . . . 0.0 114.002 172.727 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 -81.79 -40.63 22.31 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 166.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.19 -3.56 7.28 Favored Glycine 0 CA--C 1.534 1.267 0 C-N-CA 128.698 3.047 . . . . 0.0 114.909 173.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.4 t -75.41 150.01 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 CA-C-N 118.898 1.349 . . . . 0.0 111.366 179.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -167.76 89.59 0.3 Allowed 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 113.522 -1.672 . . . . 0.0 108.772 167.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.565 ' H ' HG22 ' A' ' 54' ' ' VAL . . . -119.15 -149.64 8.57 Favored Glycine 0 CA--C 1.534 1.275 0 N-CA-C 116.992 1.557 . . . . 0.0 116.992 -178.346 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -67.24 88.99 0.19 Allowed 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.613 1.165 . . . . 0.0 111.719 174.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 82.1 m95 -61.54 116.51 4.78 Favored 'General case' 0 C--O 1.234 0.274 0 O-C-N 120.822 -1.174 . . . . 0.0 110.381 179.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.11 163.83 24.63 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 126.862 2.065 . . . . 0.0 110.811 -171.2 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -154.72 165.2 37.31 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.344 1.058 . . . . 0.0 111.975 -178.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -143.14 151.47 40.73 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.913 2.085 . . . . 0.0 109.647 -176.033 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.459 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -123.7 5.52 8.83 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 114.994 1.479 . . . . 0.0 114.994 -177.296 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -93.49 -29.53 15.49 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.718 1.207 . . . . 0.0 110.639 169.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.73 -7.22 4.56 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.021 0.928 . . . . 0.0 113.274 -176.054 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.459 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 1.8 mmpt? 61.01 44.49 10.32 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 126.191 1.797 . . . . 0.0 112.753 179.254 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 89.2 m -117.83 108.08 14.91 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.781 0.833 . . . . 0.0 111.547 -172.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -63.4 159.93 17.21 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 122.025 0.917 . . . . 0.0 110.712 168.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.5 m -146.06 158.97 43.88 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 124.989 1.316 . . . . 0.0 107.942 170.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.565 HG22 ' H ' ' A' ' 41' ' ' GLY . 14.0 p -152.29 89.49 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 122.399 1.095 . . . . 0.0 111.129 177.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.412 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 18.3 m -86.18 96.18 9.83 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 122.294 1.045 . . . . 0.0 112.236 -178.078 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -72.31 -11.98 60.94 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.85 0.86 . . . . 0.0 112.335 170.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.96 16.59 0.11 Allowed Glycine 0 CA--C 1.543 1.787 0 C-N-CA 126.731 2.11 . . . . 0.0 116.917 170.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.8 m -163.27 -27.13 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.871 1.668 . . . . 0.0 114.118 173.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 54.9 m80 -140.17 175.16 9.82 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.112 1.152 . . . . 0.0 114.112 -169.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -149.76 150.33 31.88 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 127.892 2.477 . . . . 0.0 108.541 177.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.428 ' HD1' ' CE1' ' A' ' 62' ' ' HIS . 26.7 t-80 -141.87 -26.24 0.67 Allowed 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 117.15 2.278 . . . . 0.0 117.15 -169.492 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.428 ' CE1' ' HD1' ' A' ' 61' ' ' HIS . 42.7 m80 -136.26 159.55 41.41 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.889 1.222 . . . . 0.0 112.722 -173.404 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 22.9 p80 -121.07 25.13 9.79 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 126.159 1.784 . . . . 0.0 111.345 171.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -61.49 -26.39 67.88 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 126.704 2.001 . . . . 0.0 114.014 -170.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 2.6 mpt? -138.56 162.24 35.06 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.928 1.691 . . . . 0.0 110.586 175.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 27.5 p80 -71.68 28.22 0.05 OUTLIER 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 126.28 1.832 . . . . 0.0 115.217 -178.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.94 35.41 0.37 Allowed 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 125.806 1.642 . . . . 0.0 113.409 177.261 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -110.48 178.85 4.25 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 128.068 2.547 . . . . 0.0 112.616 -175.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 78.0 p 41.45 -96.0 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 128.108 2.563 . . . . 0.0 116.018 172.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 42.6 t -152.28 136.47 10.19 Favored Pre-proline 0 CA--C 1.546 0.805 0 C-N-CA 125.624 1.57 . . . . 0.0 111.096 -174.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_exo -56.0 158.37 14.57 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 C-N-CA 123.196 2.597 . . . . 0.0 112.376 168.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 95.4 mt -130.04 160.25 34.27 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.452 1.101 . . . . 0.0 111.122 177.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 37.9 p-10 -128.24 -27.88 2.65 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 116.476 2.028 . . . . 0.0 116.476 -167.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.5 t -72.45 -4.99 33.62 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 114.548 1.314 . . . . 0.0 114.548 -176.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -88.44 124.19 33.72 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 126.407 1.883 . . . . 0.0 108.206 -176.155 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 82.7 t -122.4 137.62 55.3 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 C-N-CA 125.061 1.344 . . . . 0.0 112.298 -167.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -91.16 150.12 21.51 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 124.763 1.225 . . . . 0.0 109.25 168.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -146.37 133.51 14.6 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.261 0 CA-C-O 121.331 0.586 . . . . 0.0 110.551 169.069 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -166.27 -170.05 30.68 Favored Glycine 0 N--CA 1.467 0.736 0 N-CA-C 116.061 1.184 . . . . 0.0 116.061 178.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 41.01 45.71 2.3 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.977 1.711 . . . . 0.0 112.208 -170.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 39.3 tp -122.67 -38.42 2.65 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.617 1.567 . . . . 0.0 112.83 -169.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 89.96 25.62 26.48 Favored Glycine 0 CA--C 1.535 1.331 0 N-CA-C 114.319 0.488 . . . . 0.0 114.319 -176.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -63.29 -16.61 60.85 Favored 'General case' 0 CA--C 1.551 1.009 0 CA-C-N 118.518 1.159 . . . . 0.0 113.931 176.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 44.98 41.01 4.93 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 127.909 2.484 . . . . 0.0 114.291 176.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 53.27 35.87 51.23 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 125.995 1.759 . . . . 0.0 115.582 177.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -116.29 -1.24 12.39 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.865 1.266 . . . . 0.0 112.344 -179.109 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.5 pttp 46.63 -25.47 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.376 1 C-N-CA 132.927 4.491 . . . . 0.0 120.881 177.134 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 95.8 m -47.5 -49.1 26.76 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 126.894 2.078 . . . . 0.0 114.619 -168.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -77.44 -44.84 27.66 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 119.006 0.821 . . . . 0.0 111.553 -178.14 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.3 pp -62.52 -35.66 80.12 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 119.626 1.103 . . . . 0.0 111.71 177.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -64.37 -47.65 78.49 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.563 1.545 . . . . 0.0 112.027 178.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.8 ppt_? -66.59 -38.52 87.2 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 118.938 0.79 . . . . 0.0 111.485 171.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.36 -40.95 98.08 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 123.904 0.882 . . . . 0.0 111.702 -177.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -69.42 -64.92 0.78 Allowed 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 124.076 0.95 . . . . 0.0 111.803 172.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -57.85 -18.62 33.33 Favored Glycine 0 CA--C 1.548 2.106 0 N-CA-C 115.706 1.043 . . . . 0.0 115.706 -175.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -53.41 -49.94 66.22 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.525 1.93 . . . . 0.0 112.879 168.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -70.69 -44.43 67.0 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.643 0.777 . . . . 0.0 111.079 178.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -168.78 160.19 33.57 Favored Glycine 0 N--CA 1.478 1.44 0 CA-C-O 118.472 -1.182 . . . . 0.0 113.266 174.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -67.06 138.63 48.23 Favored 'Trans proline' 0 CA--C 1.534 0.493 0 CA-C-N 121.417 2.609 . . . . 0.0 113.577 -169.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 14.7 mt -77.91 154.74 31.39 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.631 1.572 . . . . 0.0 112.181 177.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 26.2 ttp180 -110.02 -27.64 9.1 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 126.576 1.95 . . . . 0.0 111.975 170.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 13.8 m -157.6 151.43 24.2 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.227 1.411 . . . . 0.0 111.997 169.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 72.2 t -137.5 131.21 43.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 125.34 1.456 . . . . 0.0 109.046 170.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.427 ' CH2' ' HA ' ' A' ' 106' ' ' ALA . 65.2 t90 -137.32 144.01 42.38 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 127.326 2.251 . . . . 0.0 108.749 -178.449 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 35.8 m -142.95 30.05 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.352 0 CA-C-O 123.503 1.621 . . . . 0.0 112.848 -169.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.427 ' HA ' ' CH2' ' A' ' 104' ' ' TRP . . . 58.74 162.81 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 130.549 3.54 . . . . 0.0 117.589 -171.457 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 59.8 ttp85 -77.08 -22.43 52.82 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.906 1.283 . . . . 0.0 113.259 -175.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -129.07 129.61 23.39 Favored Pre-proline 0 CA--C 1.544 0.714 0 C-N-CA 126.369 1.868 . . . . 0.0 106.505 169.118 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -61.07 109.63 0.73 Allowed 'Trans proline' 0 CA--C 1.542 0.899 0 C-N-CA 124.752 3.634 . . . . 0.0 113.642 -168.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_endo -106.62 -9.36 0.09 OUTLIER 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 122.643 2.228 . . . . 0.0 114.19 -171.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 88.68 -18.1 45.31 Favored Glycine 0 CA--C 1.538 1.491 0 C-N-CA 125.126 1.346 . . . . 0.0 113.126 -169.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . 0.277 0.0 OUTLIER -96.49 -179.88 4.77 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 127.439 2.295 . . . . 0.0 113.255 170.352 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -174.6 173.07 2.94 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 127.713 2.405 . . . . 0.0 110.652 -170.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -145.16 141.36 28.67 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.026 0.93 . . . . 0.0 110.106 170.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 9.7 m -135.57 172.34 15.91 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 O-C-N 120.667 -1.27 . . . . 0.0 112.658 -177.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -147.67 137.97 23.04 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 124.727 1.211 . . . . 0.0 109.208 169.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -96.75 168.83 10.27 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.18 0.992 . . . . 0.0 112.444 178.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -70.52 -27.74 64.41 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 172.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -144.78 126.67 8.0 Favored Pre-proline 0 CA--C 1.548 0.89 0 C-N-CA 124.569 1.148 . . . . 0.0 111.243 -172.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -68.67 -20.14 40.82 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 123.582 2.855 . . . . 0.0 114.144 -174.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 21.1 ttp-105 -59.63 -49.11 79.01 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 120.211 1.369 . . . . 0.0 109.411 169.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -76.29 -33.99 59.09 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.949 -176.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.03 -43.59 91.65 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.301 0.641 . . . . 0.0 111.552 169.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -68.8 -41.86 78.13 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.636 0.775 . . . . 0.0 111.914 178.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -61.59 -41.0 96.77 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 118.515 0.598 . . . . 0.0 111.579 174.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.76 -55.75 20.82 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.343 1.057 . . . . 0.0 110.984 174.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 24.3 t -51.13 -47.54 31.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 125.271 1.429 . . . . 0.0 111.66 176.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 32.4 ttp-105 -57.62 -44.09 85.25 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.089 0.956 . . . . 0.0 111.839 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -95.73 -13.52 24.11 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 114.828 1.418 . . . . 0.0 114.828 -172.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 32.6 mt -87.01 -39.61 15.5 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.292 1.437 . . . . 0.0 113.331 175.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -63.0 149.08 45.82 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 114.621 1.341 . . . . 0.0 114.621 -169.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 61.19 -14.75 0.05 OUTLIER Glycine 0 CA--C 1.541 1.712 0 N-CA-C 120.292 2.877 . . . . 0.0 120.292 168.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 69.8 mtt85 -81.14 -65.56 1.0 Allowed 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 119.059 1.43 . . . . 0.0 113.425 -168.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 6.1 m 149.47 143.32 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.324 1 C-N-CA 131.97 4.108 . . . . 0.0 106.934 -169.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 42.3 tp -146.63 -59.59 0.29 Allowed 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.286 0.635 . . . . 0.0 111.098 175.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 15.8 t -91.62 -46.56 7.87 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.405 0.682 . . . . 0.0 110.648 171.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 155.47 51.16 0.01 OUTLIER Glycine 0 CA--C 1.533 1.195 0 N-CA-C 114.963 0.745 . . . . 0.0 114.963 170.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 5.8 t -149.27 -153.74 0.51 Allowed 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 124.503 1.121 . . . . 0.0 111.654 -172.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -110.77 61.96 0.61 Allowed 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 127.081 2.152 . . . . 0.0 110.396 -174.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 48.9 t -43.29 136.43 0.91 Allowed 'Isoleucine or valine' 0 CA--C 1.519 -0.244 0 C-N-CA 128.967 2.907 . . . . 0.0 113.932 -167.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.51 124.27 41.91 Favored 'General case' 0 CA--C 1.512 -0.505 0 C-N-CA 126.403 1.881 . . . . 0.0 106.46 169.478 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 78.5 t -141.22 115.33 5.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 105.5 -2.037 . . . . 0.0 105.5 170.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -141.69 -178.5 5.68 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 118.956 0.798 . . . . 0.0 112.871 -167.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 13.7 tp -80.61 128.73 33.95 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 120.753 -1.217 . . . . 0.0 108.272 168.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 59.9 p -72.12 86.18 1.05 Allowed 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 -171.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -72.45 68.53 0.79 Allowed 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 127.105 2.162 . . . . 0.0 111.995 177.068 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -152.94 -30.83 0.03 OUTLIER Glycine 0 CA--C 1.536 1.402 0 N-CA-C 116.34 1.296 . . . . 0.0 116.34 177.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . 0.428 ' HG2' ' H ' ' A' ' 149' ' ' LYS . 4.3 tt0 -163.99 178.0 8.06 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 119.668 1.734 . . . . 0.0 112.489 176.163 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . 0.428 ' H ' ' HG2' ' A' ' 148' ' ' GLU . 14.6 pttm -141.02 151.25 43.94 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.969 1.308 . . . . 0.0 112.91 169.13 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? . . . . . 0 C--O 1.252 1.228 0 C-N-CA 126.86 2.064 . . . . 0.0 111.699 177.826 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 151' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.007 0 C2'-C3'-O3' 121.098 3.607 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 152' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.674 2 P-O3'-C3' 127.108 6.173 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.257 4 N19-C1'-C2' 122.23 5.519 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.709 4 O4'-C1'-N19 114.557 6.357 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.484 1.248 0 CA-C-O 120.478 0.18 . . . . 0.0 110.528 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -84.3 145.25 28.37 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 120.804 -1.185 . . . . 0.0 112.565 -177.053 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -127.75 158.32 37.98 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 127.553 2.341 . . . . 0.0 108.885 176.86 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -109.51 161.88 14.91 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.945 1.298 . . . . 0.0 111.568 -179.039 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 17.5 tp -143.15 140.84 30.98 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 126.676 1.99 . . . . 0.0 110.547 173.495 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mp -114.9 129.8 70.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 126.644 1.978 . . . . 0.0 107.853 169.454 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 78.0 mt -106.93 69.39 0.76 Allowed 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 127.951 2.5 . . . . 0.0 110.721 173.262 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -59.57 113.4 2.2 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 120.678 -1.264 . . . . 0.0 111.139 169.329 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -158.77 169.05 35.06 Favored Glycine 0 CA--C 1.532 1.144 0 N-CA-C 116.753 1.461 . . . . 0.0 116.753 179.674 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . 0.252 0.0 OUTLIER -43.57 -51.76 6.67 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 118.406 2.743 . . . . 0.0 118.406 -168.441 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.4 m -143.78 24.46 1.69 Allowed 'General case' 0 N--CA 1.481 1.087 0 CA-C-O 121.369 0.605 . . . . 0.0 112.488 -169.47 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 pp -150.36 -2.64 0.37 Allowed 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 116.456 2.021 . . . . 0.0 116.456 -169.088 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -30.53 132.55 0.08 Allowed 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 115.716 1.747 . . . . 0.0 115.716 -166.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -161.46 -171.0 26.91 Favored Glycine 0 C--O 1.223 -0.539 0 N-CA-C 118.537 2.175 . . . . 0.0 118.537 172.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -152.2 156.85 40.56 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.23 1.412 . . . . 0.0 111.812 178.01 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.1 t -158.45 -176.15 5.73 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 126.123 1.769 . . . . 0.0 110.074 -175.544 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 65.3 p -142.51 169.97 16.59 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.506 1.523 . . . . 0.0 111.095 176.738 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.404 HG23 ' CG1' ' A' ' 29' ' ' VAL . 4.9 t -155.65 149.56 25.39 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.328 1.051 . . . . 0.0 111.06 176.589 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -77.5 119.92 21.76 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 107.394 -1.335 . . . . 0.0 107.394 167.78 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.01 175.89 9.17 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.001 1.32 . . . . 0.0 113.43 177.358 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.46 ' H ' ' HB ' ' A' ' 25' ' ' THR . 68.0 t -81.4 -46.61 20.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 O-C-N 121.291 -0.881 . . . . 0.0 110.584 169.566 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.6 t70 178.32 -156.95 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 130.846 3.658 . . . . 0.0 106.098 177.22 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.03 -20.72 1.49 Allowed 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 120.92 1.691 . . . . 0.0 114.36 170.504 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.93 -9.71 23.34 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.452 1.101 . . . . 0.0 113.808 172.17 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.46 ' HB ' ' H ' ' A' ' 21' ' ' VAL . 54.5 m -140.76 -31.85 0.59 Allowed 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.739 1.616 . . . . 0.0 112.518 178.86 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.57 -36.65 79.05 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.58 1.152 . . . . 0.0 110.62 173.25 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -78.99 6.57 9.01 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 114.832 1.419 . . . . 0.0 114.832 179.625 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.64 19.12 3.89 Favored 'General case' 0 N--CA 1.463 0.204 0 O-C-N 120.573 -1.33 . . . . 0.0 111.408 172.893 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.404 ' CG1' HG23 ' A' ' 18' ' ' THR . 3.6 p -125.73 -42.13 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 124.021 0.929 . . . . 0.0 112.263 178.248 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -64.77 -26.22 68.26 Favored 'General case' 0 C--O 1.224 -0.273 0 O-C-N 121.706 -0.621 . . . . 0.0 112.246 170.261 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -56.67 -28.38 60.64 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.883 1.273 . . . . 0.0 112.855 173.935 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -79.85 -52.22 8.17 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 118.706 0.685 . . . . 0.0 110.79 176.645 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -62.48 -41.0 98.49 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.215 1.006 . . . . 0.0 112.222 -179.337 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.49 -49.51 77.26 Favored 'General case' 0 N--CA 1.453 -0.286 0 O-C-N 121.317 -0.864 . . . . 0.0 111.426 -179.355 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 59.0 m-80 -69.91 -19.98 63.38 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 178.708 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -79.54 -30.91 41.95 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 173.639 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 57.5 m-80 -80.83 -32.28 35.24 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 118.4 0.545 . . . . 0.0 109.549 168.688 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.36 12.93 9.3 Favored Glycine 0 CA--C 1.53 1.003 0 C-N-CA 128.125 2.774 . . . . 0.0 116.2 169.193 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 51.9 t -92.6 150.82 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.881 1.273 . . . . 0.0 112.105 172.721 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -165.22 51.35 0.1 Allowed 'General case' 0 CA--C 1.548 0.886 0 CA-C-O 123.03 1.395 . . . . 0.0 110.276 168.414 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -75.85 -149.25 2.47 Favored Glycine 0 CA--C 1.544 1.883 0 C-N-CA 125.304 1.431 . . . . 0.0 115.767 178.874 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -69.22 92.9 0.58 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.275 1.43 . . . . 0.0 112.438 179.827 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 96.0 m95 -65.41 113.1 3.87 Favored 'General case' 0 C--O 1.235 0.339 0 O-C-N 120.677 -1.264 . . . . 0.0 109.975 179.526 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 24.6 m -133.07 161.53 34.13 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 127.898 2.479 . . . . 0.0 108.502 -169.215 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -155.07 167.71 29.46 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.855 1.262 . . . . 0.0 111.116 -169.659 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -141.37 150.43 42.4 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.23 1.412 . . . . 0.0 110.368 176.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.468 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -115.49 5.09 14.38 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 -176.61 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -102.46 -29.78 11.4 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.782 1.633 . . . . 0.0 111.71 171.234 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.0 t -125.45 2.04 7.67 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.329 1.052 . . . . 0.0 113.469 178.053 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.468 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 3.2 mmpt? 51.29 42.61 29.17 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.032 1.333 . . . . 0.0 113.191 168.821 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.8 m -120.62 111.74 18.02 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 125.907 1.683 . . . . 0.0 109.0 -171.355 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -65.04 156.63 30.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 122.1 0.952 . . . . 0.0 109.836 169.173 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.5 m -146.73 137.1 23.71 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 106.737 -1.579 . . . . 0.0 106.737 169.745 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.6 p -131.04 125.74 58.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 175.681 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 89.9 m -132.55 119.72 20.9 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.203 0.601 . . . . 0.0 110.475 -169.848 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -69.43 66.55 0.19 Allowed 'General case' 0 CA--C 1.552 1.056 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 -179.496 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 91.83 59.16 1.35 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 120.797 -1.189 . . . . 0.0 113.563 170.629 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.3 p 60.07 -11.8 0.04 OUTLIER 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 128.957 2.903 . . . . 0.0 117.442 -177.147 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . 0.27 3.0 p-80 -74.47 79.94 1.93 Allowed 'General case' 0 CA--C 1.548 0.868 0 CA-C-O 122.465 1.126 . . . . 0.0 111.785 179.068 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 71.9 m80 -67.89 64.57 0.09 Allowed 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 127.016 2.126 . . . . 0.0 112.031 178.214 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 15.9 t-160 -66.54 16.58 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 129.43 3.092 . . . . 0.0 115.514 -171.151 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -63.43 163.45 10.8 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.449 1.1 . . . . 0.0 113.709 -174.848 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -136.24 73.93 1.48 Allowed 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 125.81 1.644 . . . . 0.0 108.926 178.557 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -161.55 20.1 0.11 Allowed 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.653 1.181 . . . . 0.0 113.968 170.457 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -61.89 91.7 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 126.517 1.927 . . . . 0.0 110.853 -175.541 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 37.3 t-80 51.87 46.61 26.3 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 124.334 1.053 . . . . 0.0 110.397 -167.835 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.68 34.89 22.58 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 126.143 1.777 . . . . 0.0 113.469 -170.133 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 50.18 33.55 7.33 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 127.571 2.348 . . . . 0.0 113.829 -175.889 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.2 m -75.61 57.83 1.01 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.036 1.734 . . . . 0.0 114.622 -171.067 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 26.1 p -131.53 56.88 26.86 Favored Pre-proline 0 CA--C 1.557 1.221 0 C-N-CA 125.472 1.509 . . . . 0.0 112.931 176.912 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -74.94 175.48 11.17 Favored 'Trans proline' 0 CA--C 1.542 0.909 0 C-N-CA 124.017 3.144 . . . . 0.0 113.291 -176.11 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 91.1 mt -58.01 -22.23 48.71 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 175.663 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -58.1 -22.85 52.5 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.602 1.161 . . . . 0.0 113.523 174.164 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 88.0 m -67.16 -33.21 74.92 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.619 1.168 . . . . 0.0 113.039 171.822 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -84.37 150.05 25.62 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.887 1.275 . . . . 0.0 112.139 -178.005 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.3 t -139.53 137.75 40.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 125.953 1.701 . . . . 0.0 111.539 -170.082 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -88.85 146.54 24.9 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 125.65 1.58 . . . . 0.0 108.006 167.666 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -149.15 154.57 9.4 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.441 0 CA-C-O 122.316 1.055 . . . . 0.0 111.333 171.031 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -137.89 142.02 12.8 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 108.367 -1.893 . . . . 0.0 108.367 168.095 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -153.19 135.88 15.27 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 118.202 1.001 . . . . 0.0 113.375 -168.174 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 35.5 tp 64.55 -42.44 0.29 Allowed 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 129.221 3.008 . . . . 0.0 115.498 177.341 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 146.59 -146.77 17.08 Favored Glycine 0 CA--C 1.529 0.941 0 C-N-CA 124.959 1.266 . . . . 0.0 111.768 -174.56 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -61.85 56.29 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 127.695 2.398 . . . . 0.0 114.386 170.312 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -149.51 176.15 10.86 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.36 1.864 . . . . 0.0 111.48 -178.536 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -171.05 110.65 0.37 Allowed Glycine 0 CA--C 1.529 0.936 0 C-N-CA 123.548 0.594 . . . . 0.0 112.664 -179.727 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -146.73 130.87 17.36 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.503 1.121 . . . . 0.0 110.255 170.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.08 -26.93 68.44 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 115.767 1.766 . . . . 0.0 115.767 -178.239 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 32.8 m -51.54 -64.19 0.89 Allowed 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 115.584 1.698 . . . . 0.0 115.584 -168.133 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -75.06 -41.42 59.05 Favored 'General case' 0 CA--C 1.53 0.183 0 O-C-N 121.041 -1.037 . . . . 0.0 110.857 -174.682 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.9 pp -58.79 -35.93 73.62 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 119.551 1.069 . . . . 0.0 111.806 176.033 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -60.93 -48.13 83.23 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 119.578 1.081 . . . . 0.0 112.335 174.57 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.94 -40.1 91.05 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 119.564 1.075 . . . . 0.0 111.992 174.36 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.8 -39.21 93.71 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 124.427 1.091 . . . . 0.0 112.018 -178.01 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.443 ' CD2' HG23 ' A' ' 115' ' ' VAL . 10.7 m-85 -72.07 -63.15 1.2 Allowed 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 125.346 1.458 . . . . 0.0 111.968 173.301 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -62.09 -13.8 43.48 Favored Glycine 0 CA--C 1.544 1.856 0 N-CA-C 115.557 0.983 . . . . 0.0 115.557 -176.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -55.07 -47.1 75.31 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.629 1.571 . . . . 0.0 111.695 167.392 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -67.39 -45.33 76.52 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.773 0.829 . . . . 0.0 110.116 172.776 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 174.46 165.02 30.31 Favored Glycine 0 N--CA 1.476 1.301 0 N-CA-C 115.363 0.905 . . . . 0.0 115.363 169.082 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -57.65 138.74 87.59 Favored 'Trans proline' 0 CA--C 1.536 0.591 0 C-N-CA 122.744 2.296 . . . . 0.0 114.688 -168.277 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.04 142.47 47.36 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.019 1.328 . . . . 0.0 112.101 173.514 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 15.3 ttm-85 -75.17 -33.9 61.52 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.802 1.641 . . . . 0.0 111.128 179.754 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 14.3 m -151.4 153.18 34.21 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 113.502 0.926 . . . . 0.0 113.502 178.822 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 2.4 m -130.13 137.96 55.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 C-N-CA 128.558 2.743 . . . . 0.0 106.85 169.869 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.469 ' CH2' ' HA ' ' A' ' 106' ' ' ALA . 73.9 t90 -141.79 147.92 38.07 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 124.933 1.293 . . . . 0.0 110.798 -175.559 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 24.3 m -143.26 154.49 16.73 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 C-N-CA 125.607 1.563 . . . . 0.0 109.271 174.414 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.469 ' HA ' ' CH2' ' A' ' 104' ' ' TRP . . . -75.62 106.38 7.15 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -170.308 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 5.9 mmm180 -68.44 -18.99 64.55 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 125.137 1.375 . . . . 0.0 113.93 170.925 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -72.51 -157.68 0.0 OUTLIER Pre-proline 0 CA--C 1.57 1.713 0 C-N-CA 126.659 1.984 . . . . 0.0 107.714 168.102 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -49.41 123.61 10.58 Favored 'Trans proline' 0 CA--C 1.55 1.299 0 CA-C-N 123.606 2.324 . . . . 0.0 112.086 169.235 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -80.27 159.9 23.13 Favored 'Trans proline' 0 CA--C 1.541 0.831 0 C-N-CA 122.974 2.45 . . . . 0.0 112.197 -176.266 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 160.31 -31.53 0.39 Allowed Glycine 0 CA--C 1.535 1.308 0 C-N-CA 123.784 0.707 . . . . 0.0 114.325 -178.543 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.406 ' CZ ' ' C5 ' ' B' ' 153' ' ' ' U' 0.262 1.8 p90 -141.69 -176.6 4.82 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.698 1.599 . . . . 0.0 111.742 178.041 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -157.0 172.02 19.43 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 127.796 2.439 . . . . 0.0 112.575 -167.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -145.46 168.43 20.57 Favored 'General case' 0 N--CA 1.484 1.244 0 O-C-N 121.34 -0.85 . . . . 0.0 112.651 172.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.443 HG23 ' CD2' ' A' ' 94' ' ' PHE . 1.4 t -153.12 162.26 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 126.112 1.765 . . . . 0.0 111.824 -174.898 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -137.58 107.65 6.37 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.257 1.023 . . . . 0.0 109.666 165.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.403 ' CZ ' ' HB3' ' A' ' 94' ' ' PHE . 44.8 m-85 -78.05 152.68 32.85 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.74 1.616 . . . . 0.0 111.452 169.563 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -73.98 -57.03 4.24 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.297 -0.877 . . . . 0.0 111.757 176.648 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -82.52 124.29 77.9 Favored Pre-proline 0 CA--C 1.545 0.78 0 O-C-N 121.462 -0.774 . . . . 0.0 109.431 173.445 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -61.33 -20.07 66.71 Favored 'Trans proline' 0 CA--C 1.539 0.73 0 C-N-CA 121.82 1.68 . . . . 0.0 112.976 172.932 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.54 -27.25 62.11 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 120.979 -1.076 . . . . 0.0 112.709 169.921 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -67.91 -43.79 78.44 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 120.009 1.277 . . . . 0.0 110.296 169.726 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.08 -40.29 93.14 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 122.957 0.503 . . . . 0.0 112.244 172.002 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.28 -48.76 76.77 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 118.735 0.698 . . . . 0.0 112.196 174.757 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -60.2 -39.6 87.12 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.433 1.015 . . . . 0.0 112.499 174.387 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.25 -59.22 5.65 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 123.848 0.859 . . . . 0.0 109.779 175.672 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 45.0 t -49.09 -45.43 16.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 CA-C-N 119.752 1.16 . . . . 0.0 112.287 173.768 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -63.39 -36.94 85.38 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 126.142 1.777 . . . . 0.0 112.772 -176.014 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -106.34 -19.43 13.7 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 -176.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 94.9 mt -97.38 -33.24 11.49 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.082 1.353 . . . . 0.0 113.931 -177.666 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -64.91 113.38 3.81 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 120.261 1.391 . . . . 0.0 112.599 -169.824 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 70.65 14.9 72.94 Favored Glycine 0 CA--C 1.54 1.622 0 N-CA-C 115.14 0.816 . . . . 0.0 115.14 -173.449 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.01 97.46 6.96 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 126.107 1.763 . . . . 0.0 110.005 178.953 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 19.0 m -9.47 110.01 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 130.463 3.505 . . . . 0.0 114.99 171.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.85 138.59 25.75 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 127.786 2.434 . . . . 0.0 105.836 -179.479 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 68.5 m 64.68 -41.0 0.27 Allowed 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 126.478 1.911 . . . . 0.0 111.55 -166.23 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 113.63 47.79 0.61 Allowed Glycine 0 CA--C 1.528 0.894 0 N-CA-C 119.126 2.41 . . . . 0.0 119.126 165.763 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 4.7 t -151.83 -39.27 0.11 Allowed 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 118.634 1.217 . . . . 0.0 112.994 169.073 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.96 156.9 1.82 Allowed 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 128.029 2.532 . . . . 0.0 110.618 169.12 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 32.9 m -141.73 162.47 20.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 169.851 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.3 141.1 47.81 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 129.174 2.989 . . . . 0.0 106.747 169.042 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 60.2 t -149.4 124.65 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 CA-C-N 119.846 1.203 . . . . 0.0 108.653 169.551 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -140.84 167.53 21.96 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 120.356 1.434 . . . . 0.0 111.101 178.938 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 71.1 mt -74.6 147.73 41.4 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 120.067 -1.645 . . . . 0.0 108.367 168.331 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 87.9 p -68.06 118.35 11.11 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 119.321 0.964 . . . . 0.0 111.796 -178.892 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -128.49 0.29 5.6 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.972 1.709 . . . . 0.0 113.211 -173.276 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -132.95 151.36 20.0 Favored Glycine 0 CA--C 1.533 1.21 0 C-N-CA 124.112 0.863 . . . . 0.0 113.896 -177.02 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -171.83 161.96 6.0 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 128.82 2.848 . . . . 0.0 108.117 173.668 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -131.91 36.74 3.66 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 115.826 1.787 . . . . 0.0 115.826 -174.834 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 32.2 mmt-85 . . . . . 0 C--O 1.252 1.196 0 C-N-CA 126.122 1.769 . . . . 0.0 112.259 -171.715 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 151' ' ' ' C' . . . . . 0.427 HO2' ' P ' ' B' ' 152' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.104 0 C2'-C3'-O3' 121.054 3.591 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 152' ' ' ' A' . . . . . 0.427 ' P ' HO2' ' B' ' 151' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.538 2.122 3 O4'-C1'-N19 113.989 5.789 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 021 nuclear orig full ' B' B ' 153' ' ' ' U' . . . . . 0.406 ' C5 ' ' CZ ' ' A' ' 112' ' ' PHE . . . . . . . . 0 O4'--C4' 1.422 -2.59 1 O4'-C1'-N19 115.536 7.336 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 021 nuclear orig full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.372 2 O4'-C1'-N19 115.128 6.928 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.9 tpt . . . . . 0 N--CA 1.483 1.22 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -94.15 138.1 32.58 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 120.809 -1.182 . . . . 0.0 111.468 178.335 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -125.82 154.27 42.86 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 126.644 1.978 . . . . 0.0 108.762 -175.701 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -105.05 161.46 14.2 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.512 1.125 . . . . 0.0 111.375 -179.587 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.3 tp -142.98 139.47 30.64 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 126.145 1.778 . . . . 0.0 110.31 172.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mp -116.04 111.31 34.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 126.128 1.771 . . . . 0.0 108.444 171.756 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 71.3 mt -80.92 72.12 7.91 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.893 1.677 . . . . 0.0 110.597 169.707 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 57.3 m-20 -60.78 59.12 0.01 OUTLIER 'General case' 0 CA--C 1.561 1.393 0 C-N-CA 125.956 1.702 . . . . 0.0 114.348 169.571 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -88.77 175.64 43.78 Favored Glycine 0 CA--C 1.531 1.094 0 O-C-N 119.716 -1.865 . . . . 0.0 115.814 178.416 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.11 -57.69 11.77 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 115.662 1.727 . . . . 0.0 115.662 -173.306 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 35.4 p -129.64 3.6 5.02 Favored 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 114.925 1.454 . . . . 0.0 114.925 -168.806 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.412 ' H ' HD23 ' A' ' 12' ' ' LEU . 2.6 pt? -134.33 -2.68 2.77 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.882 1.673 . . . . 0.0 115.441 -169.163 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.402 ' HE2' ' H ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -40.13 145.72 0.15 Allowed 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 117.261 2.319 . . . . 0.0 117.261 -168.539 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -175.3 -153.91 10.72 Favored Glycine 0 CA--C 1.529 0.948 0 N-CA-C 116.691 1.436 . . . . 0.0 116.691 169.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -152.51 159.36 43.32 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 119.12 1.46 . . . . 0.0 113.776 -173.15 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.7 t -158.85 -175.84 5.52 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.555 1.942 . . . . 0.0 110.675 -177.148 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.7 p -141.49 171.96 13.34 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.564 1.546 . . . . 0.0 110.987 173.748 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.4 t -156.68 155.02 31.02 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.592 1.157 . . . . 0.0 110.921 179.496 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -85.29 125.63 33.07 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 107.745 -1.205 . . . . 0.0 107.745 167.658 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -143.09 173.34 11.66 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.921 1.688 . . . . 0.0 112.735 179.429 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.417 ' H ' ' HB ' ' A' ' 25' ' ' THR . 4.3 p -87.25 -31.06 5.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 O-C-N 121.24 -0.912 . . . . 0.0 112.94 170.896 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.5 t70 168.12 -157.68 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.074 1 C-N-CA 132.488 4.315 . . . . 0.0 107.102 173.71 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.63 -22.66 2.13 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 120.593 1.542 . . . . 0.0 114.415 171.755 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.95 -8.43 22.54 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.181 0.992 . . . . 0.0 113.612 173.347 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.417 ' HB ' ' H ' ' A' ' 21' ' ' VAL . 20.4 m -134.71 -36.17 0.86 Allowed 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 125.692 1.597 . . . . 0.0 112.436 173.411 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.67 -35.14 80.08 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.301 1.041 . . . . 0.0 110.692 176.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -78.14 5.49 10.02 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 176.608 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.68 20.23 3.31 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 120.335 -1.478 . . . . 0.0 111.755 174.795 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.0 p -123.98 -42.23 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 C-N-CA 124.37 1.068 . . . . 0.0 111.905 177.126 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -68.64 -25.15 64.69 Favored 'General case' 0 C--O 1.226 -0.166 0 C-N-CA 123.565 0.746 . . . . 0.0 112.875 173.421 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -54.82 -30.58 57.69 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.264 1.426 . . . . 0.0 112.997 175.132 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -81.7 -50.64 9.06 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.94 0.896 . . . . 0.0 110.67 179.408 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -60.1 -41.88 93.48 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.273 1.029 . . . . 0.0 112.101 177.327 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.21 -53.06 62.59 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.7 0.8 . . . . 0.0 111.015 178.861 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 -65.79 -23.25 66.66 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.012 0.925 . . . . 0.0 113.195 178.4 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -80.05 -29.99 39.32 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 118.9 0.773 . . . . 0.0 112.955 176.09 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 54.7 m-80 -76.59 -44.62 33.67 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 168.026 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 126.04 14.59 3.01 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 128.258 2.837 . . . . 0.0 115.5 171.864 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 93.7 t -87.95 151.34 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 125.595 1.558 . . . . 0.0 111.479 170.159 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -166.48 46.43 0.07 Allowed 'General case' 0 CA--C 1.548 0.897 0 CA-C-O 122.272 1.034 . . . . 0.0 111.121 168.109 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -72.14 -157.57 3.38 Favored Glycine 0 CA--C 1.54 1.644 0 C-N-CA 125.371 1.462 . . . . 0.0 115.835 -176.327 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -62.0 125.09 22.66 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 121.137 -1.214 . . . . 0.0 108.865 170.844 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 89.0 m95 -91.55 133.0 35.9 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.473 1.033 . . . . 0.0 110.374 178.186 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -139.12 160.91 38.68 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 127.462 2.305 . . . . 0.0 109.532 -173.325 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -155.01 166.31 33.98 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.216 1.406 . . . . 0.0 110.69 -173.577 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -140.54 139.02 34.95 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.977 1.311 . . . . 0.0 110.445 175.451 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.443 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 31.6 t70 -93.54 -8.55 41.03 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 114.906 1.447 . . . . 0.0 114.906 -175.459 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -102.68 -28.72 11.95 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.172 1.389 . . . . 0.0 112.001 -178.548 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.6 t -117.03 -0.24 12.21 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.103 0.961 . . . . 0.0 113.129 175.65 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.443 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 3.6 mmpt? 51.08 42.47 28.64 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.565 1.546 . . . . 0.0 113.01 169.564 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 51.6 m -123.14 112.03 17.23 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 125.553 1.541 . . . . 0.0 109.259 -171.475 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -67.1 158.71 30.45 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 124.177 0.991 . . . . 0.0 110.487 169.492 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 22.9 m -149.52 130.24 14.12 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 171.742 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.1 p -122.12 110.93 28.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 124.57 1.148 . . . . 0.0 109.984 177.402 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 99.1 m -111.75 118.9 36.87 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.76 0.824 . . . . 0.0 109.7 -169.94 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -69.45 70.16 0.27 Allowed 'General case' 0 N--CA 1.481 1.085 0 CA-C-O 123.217 1.484 . . . . 0.0 113.129 174.932 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -161.74 -150.67 6.02 Favored Glycine 0 CA--C 1.534 1.274 0 C-N-CA 129.769 3.556 . . . . 0.0 108.171 174.482 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.5 m -142.09 145.04 33.86 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.856 0.863 . . . . 0.0 110.264 175.691 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.446 ' C ' ' H ' ' A' ' 61' ' ' HIS . 36.4 m80 16.14 64.33 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 127.651 2.38 . . . . 0.0 115.101 -170.432 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 11.6 p-80 -62.12 21.22 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 116.702 2.112 . . . . 0.0 116.702 -174.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.446 ' H ' ' C ' ' A' ' 59' ' ' HIS . 11.0 p-80 -139.93 1.02 1.83 Allowed 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 130.54 3.536 . . . . 0.0 112.251 -177.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -151.99 -45.53 0.11 Allowed 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.578 1.551 . . . . 0.0 113.357 -178.066 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -64.06 135.15 56.16 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.142 1.377 . . . . 0.0 112.301 179.508 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 76.9 m80 -142.49 139.19 31.42 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.848 1.659 . . . . 0.0 109.98 176.423 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 57.7 ttm -65.67 129.25 39.1 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.697 0.799 . . . . 0.0 111.103 176.019 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 54.9 p-80 -151.74 -19.13 0.19 Allowed 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 115.723 1.749 . . . . 0.0 115.723 -179.686 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.06 4.35 0.73 Allowed 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 125.099 1.36 . . . . 0.0 114.104 175.541 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -79.02 -8.9 59.33 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 128.489 2.716 . . . . 0.0 114.931 -168.077 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 35.9 p -70.66 -28.83 65.09 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.634 1.174 . . . . 0.0 112.86 169.577 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 16.6 m -149.27 66.26 8.4 Favored Pre-proline 0 CA--C 1.552 1.037 0 C-N-CA 126.684 1.994 . . . . 0.0 111.0 -179.803 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -66.14 116.04 3.8 Favored 'Trans proline' 0 CA--C 1.54 0.787 0 C-N-CA 123.073 2.515 . . . . 0.0 110.647 178.611 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 41.7 tp -75.5 72.21 2.48 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.593 1.557 . . . . 0.0 112.644 -173.441 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 56.04 7.91 0.34 Allowed 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 127.493 2.317 . . . . 0.0 117.066 174.056 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 4.5 t -73.98 4.31 5.59 Favored 'General case' 0 CA--C 1.55 0.968 0 O-C-N 120.24 -1.538 . . . . 0.0 113.951 176.281 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 23.4 tttp -60.56 143.42 53.81 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 168.714 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 39.2 t -116.28 137.83 48.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 CA-C-O 121.946 0.879 . . . . 0.0 112.603 -167.482 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -95.88 150.43 20.44 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 127.447 2.299 . . . . 0.0 110.344 169.695 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -147.96 140.35 18.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.346 0.593 . . . . 0.0 110.857 169.474 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -168.89 -159.74 15.27 Favored Glycine 0 N--CA 1.473 1.119 0 N-CA-C 116.655 1.422 . . . . 0.0 116.655 -179.172 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.1 t30 76.24 -19.85 0.39 Allowed 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 128.548 2.739 . . . . 0.0 115.584 173.55 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.0 tp -41.1 -44.47 2.49 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 127.379 2.272 . . . . 0.0 111.899 169.037 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 66.31 -3.33 3.46 Favored Glycine 0 CA--C 1.542 1.725 0 N-CA-C 117.944 1.938 . . . . 0.0 117.944 169.682 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -133.74 0.8 3.28 Favored 'General case' 0 CA--C 1.551 1.007 0 CA-C-N 119.547 1.673 . . . . 0.0 114.207 -170.499 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -158.53 149.59 20.58 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.634 1.173 . . . . 0.0 111.181 174.297 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -141.29 65.05 0.51 Allowed Glycine 0 N--CA 1.466 0.649 0 C-N-CA 126.229 1.871 . . . . 0.0 110.147 176.589 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 27.6 t30 -136.77 146.66 46.02 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.724 2.009 . . . . 0.0 108.112 170.382 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.94 -12.93 58.14 Favored 'General case' 0 C--O 1.222 -0.38 0 N-CA-C 116.436 2.013 . . . . 0.0 116.436 -169.294 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 60.0 m -51.32 -56.29 13.87 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 115.725 1.75 . . . . 0.0 115.725 -168.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -74.44 -44.36 52.12 Favored 'General case' 0 C--N 1.344 0.327 0 CA-C-N 119.832 1.196 . . . . 0.0 110.924 -178.628 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . 0.255 3.5 pp -59.87 -36.19 76.39 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 119.72 1.145 . . . . 0.0 112.073 179.206 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -60.0 -49.84 76.07 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 124.308 1.043 . . . . 0.0 112.589 172.746 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.2 ppt_? -63.83 -35.69 81.44 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 119.732 1.151 . . . . 0.0 112.216 173.506 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.93 -41.15 71.56 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 123.616 0.767 . . . . 0.0 111.997 -175.056 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.425 ' CD1' ' CD2' ' A' ' 130' ' ' LEU . 15.7 m-85 -67.86 -61.61 1.79 Allowed 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 123.812 0.845 . . . . 0.0 110.141 172.194 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.39 -18.11 42.14 Favored Glycine 0 CA--C 1.546 2.006 0 N-CA-C 115.695 1.038 . . . . 0.0 115.695 -176.934 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -55.2 -48.12 74.31 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 126.028 1.731 . . . . 0.0 112.165 167.882 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -67.18 -43.38 82.31 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.71 0.804 . . . . 0.0 110.453 174.02 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 177.29 164.36 30.79 Favored Glycine 0 N--CA 1.476 1.331 0 CA-C-O 119.028 -0.873 . . . . 0.0 114.571 169.495 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -57.66 129.39 33.4 Favored 'Trans proline' 0 N--CA 1.46 -0.492 0 C-N-CA 122.667 2.245 . . . . 0.0 115.121 -168.312 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 19.2 mt -73.58 157.69 36.21 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 113.006 -1.906 . . . . 0.0 111.728 170.08 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -118.18 -30.62 5.24 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.015 1.326 . . . . 0.0 111.537 172.406 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 7.5 m -141.17 142.37 34.03 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.438 1.095 . . . . 0.0 110.693 171.557 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 15.4 t -140.94 124.5 16.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 124.86 1.264 . . . . 0.0 108.374 176.618 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 83.7 t90 -141.67 148.47 39.19 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 125.087 1.355 . . . . 0.0 111.419 -171.071 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 4.8 m -140.41 149.83 21.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 124.672 1.189 . . . . 0.0 109.145 171.024 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -77.6 150.07 34.72 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 -169.757 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 4.5 ppt_? -79.89 11.32 3.37 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 116.14 1.904 . . . . 0.0 116.14 -178.228 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -138.39 -62.44 0.02 OUTLIER Pre-proline 0 CA--C 1.546 0.793 0 CA-C-O 116.596 -1.669 . . . . 0.0 114.514 174.919 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -76.43 112.5 3.48 Favored 'Trans proline' 0 CA--C 1.545 1.055 0 C-N-CA 122.439 2.093 . . . . 0.0 111.579 -177.271 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -84.73 58.2 5.25 Favored 'Trans proline' 0 CA--C 1.542 0.922 0 C-N-CA 123.377 2.718 . . . . 0.0 111.233 -173.426 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -176.85 24.27 0.05 OUTLIER Glycine 0 N--CA 1.469 0.887 0 O-C-N 121.262 -0.899 . . . . 0.0 113.81 -177.394 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -152.31 138.96 18.75 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 126.375 1.87 . . . . 0.0 108.258 -169.399 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -161.11 171.67 18.13 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.875 1.27 . . . . 0.0 113.23 -168.187 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -145.28 149.0 34.07 Favored 'General case' 0 N--CA 1.48 1.029 0 O-C-N 121.946 -0.471 . . . . 0.0 111.634 171.852 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.6 m -138.65 170.3 16.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 CA-C-O 122.281 1.038 . . . . 0.0 112.555 178.057 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -149.37 117.59 6.41 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 124.856 1.262 . . . . 0.0 108.781 176.57 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -80.66 156.17 26.46 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 121.711 0.767 . . . . 0.0 112.142 177.301 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -70.48 -18.31 62.97 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.45 0.7 . . . . 0.0 112.517 177.248 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -139.3 136.68 18.16 Favored Pre-proline 0 CA--C 1.553 1.06 0 C-N-CA 127.894 2.477 . . . . 0.0 110.339 178.782 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -71.81 -20.9 25.55 Favored 'Trans proline' 0 CA--C 1.537 0.641 0 C-N-CA 123.001 2.467 . . . . 0.0 114.448 -174.087 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.43 -29.6 53.01 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 120.917 -1.114 . . . . 0.0 111.218 174.282 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -62.53 -45.18 94.17 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 119.271 0.942 . . . . 0.0 109.908 168.904 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.66 -41.52 95.16 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 118.695 -0.669 . . . . 0.0 112.728 173.214 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.78 -43.25 84.46 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 119.813 1.188 . . . . 0.0 113.29 178.075 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -58.13 -41.43 83.64 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 121.359 -0.838 . . . . 0.0 110.922 173.094 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.82 -46.23 79.35 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.667 -0.645 . . . . 0.0 111.422 173.385 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.94 -15.66 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 O-C-N 120.526 -1.359 . . . . 0.0 114.191 -177.079 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -121.4 -5.15 9.35 Favored 'General case' 0 N--CA 1.485 1.302 0 N-CA-C 118.121 2.637 . . . . 0.0 118.121 170.594 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -114.54 -20.52 10.71 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-N 120.746 1.612 . . . . 0.0 114.484 170.718 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.425 ' CD2' ' CD1' ' A' ' 94' ' ' PHE . 7.5 tp -98.67 -21.21 16.55 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.629 1.572 . . . . 0.0 112.335 179.572 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -68.17 144.27 55.04 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.441 1.497 . . . . 0.0 112.498 169.94 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 72.91 -40.26 0.82 Allowed Glycine 0 CA--C 1.537 1.442 0 C-N-CA 126.538 2.018 . . . . 0.0 117.672 170.382 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -51.58 -51.19 57.47 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 125.77 1.628 . . . . 0.0 115.23 -168.753 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 6.9 m 140.91 143.67 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.281 1 C-N-CA 132.36 4.264 . . . . 0.0 107.35 -174.306 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 43.0 tp -161.8 133.62 5.56 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 -179.417 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 49.4 t 61.39 -48.47 0.13 Allowed 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.932 2.093 . . . . 0.0 112.131 -168.163 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 173.2 20.03 0.02 OUTLIER Glycine 0 C--N 1.345 1.047 0 N-CA-C 118.69 2.236 . . . . 0.0 118.69 168.426 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 46.0 t -154.78 175.98 13.04 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 118.703 1.251 . . . . 0.0 108.499 -172.623 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -65.17 130.17 42.38 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 178.001 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 11.2 p -116.68 144.69 23.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 C-N-CA 125.069 1.347 . . . . 0.0 110.045 -169.639 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 17.4 mtp85 -109.75 136.99 48.2 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 106.548 -1.649 . . . . 0.0 106.548 168.964 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 71.2 t -143.63 118.49 4.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 170.842 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -142.86 158.97 43.1 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 119.799 1.181 . . . . 0.0 111.95 -172.381 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 41.3 mt -80.73 153.08 28.03 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 120.656 -1.278 . . . . 0.0 109.588 169.556 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 32.3 t -23.94 118.51 0.05 OUTLIER 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 126.934 2.093 . . . . 0.0 115.27 172.823 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -58.68 86.06 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 126.577 1.951 . . . . 0.0 114.036 -175.867 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -156.37 -166.68 16.55 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 126.192 1.854 . . . . 0.0 112.696 -178.97 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -140.86 150.95 43.9 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.193 1.397 . . . . 0.0 111.704 -177.786 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 5.3 ttpp -153.38 153.03 31.76 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.03 0.932 . . . . 0.0 111.709 167.493 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 24.0 mmt85 . . . . . 0 C--O 1.249 1.044 0 C-N-CA 127.269 2.228 . . . . 0.0 109.135 170.878 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 151' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.556 3.508 1 C3'-C2'-C1' 105.868 4.854 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 152' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.074 2 C4'-C3'-C2' 97.521 -5.179 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.56 2 C3'-C2'-C1' 106.844 5.938 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.98 2 O4'-C1'-N19 113.803 5.603 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 mpp? . . . . . 0 N--CA 1.482 1.175 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -87.34 142.49 27.84 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 120.971 -1.08 . . . . 0.0 111.66 176.279 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.412 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 91.6 m-85 -127.14 154.78 44.33 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 127.595 2.358 . . . . 0.0 108.909 -178.446 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -110.3 162.73 14.34 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.646 1.178 . . . . 0.0 111.76 -177.659 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.5 tp -145.33 139.41 27.02 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 126.805 2.042 . . . . 0.0 110.915 174.337 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mp -118.49 109.01 25.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 126.496 1.918 . . . . 0.0 109.152 173.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 55.4 mt -81.32 72.05 8.34 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.48 1.912 . . . . 0.0 111.017 170.58 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 -64.32 66.3 0.02 OUTLIER 'General case' 0 CA--C 1.56 1.358 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 173.215 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.7 153.02 16.94 Favored Glycine 0 CA--C 1.534 1.274 0 O-C-N 120.407 -1.433 . . . . 0.0 115.824 -177.926 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -12.99 -78.52 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 130.288 3.435 . . . . 0.0 117.779 -169.394 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.7 p -125.74 -3.61 7.15 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.634 1.573 . . . . 0.0 112.191 -178.678 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.415 ' H ' HD22 ' A' ' 12' ' ' LEU . 1.9 pt? -108.81 -2.42 18.51 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 126.965 2.106 . . . . 0.0 114.444 -168.792 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -36.26 146.49 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 126.616 1.966 . . . . 0.0 116.112 -169.423 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -165.98 -165.01 22.62 Favored Glycine 0 C--O 1.226 -0.383 0 N-CA-C 117.211 1.644 . . . . 0.0 117.211 171.318 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -152.73 157.08 40.34 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.741 1.216 . . . . 0.0 112.371 -179.4 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.0 t -156.83 -176.03 5.75 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 126.333 1.853 . . . . 0.0 109.805 -177.213 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 56.6 p -143.72 171.37 14.29 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.793 1.637 . . . . 0.0 110.856 176.599 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.2 t -155.59 154.66 32.03 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.104 0.961 . . . . 0.0 111.028 171.348 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -82.91 116.56 22.26 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 168.843 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -138.43 177.8 7.62 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.687 1.595 . . . . 0.0 112.599 -178.569 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.5 p -83.28 -39.43 15.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 O-C-N 120.977 -1.077 . . . . 0.0 111.683 169.408 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.412 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 3.9 t70 173.01 -160.39 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 131.486 3.914 . . . . 0.0 106.815 -179.326 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.56 -20.56 1.99 Allowed 'General case' 0 CA--C 1.545 0.786 0 O-C-N 120.113 -1.617 . . . . 0.0 114.422 170.64 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.93 -5.68 18.18 Favored 'General case' 0 CA--C 1.546 0.825 0 O-C-N 120.848 -1.158 . . . . 0.0 113.523 173.031 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.1 m -137.22 -37.27 0.64 Allowed 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.988 1.715 . . . . 0.0 112.348 173.681 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.96 -38.17 85.61 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.92 1.288 . . . . 0.0 111.173 177.184 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -75.62 4.83 6.94 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 178.637 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.84 18.56 4.64 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 125.182 1.393 . . . . 0.0 111.482 172.227 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.2 t -119.07 -52.96 3.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 125.292 1.437 . . . . 0.0 110.099 178.057 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -61.98 -26.6 68.31 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 176.947 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -54.46 -29.74 50.72 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.732 1.213 . . . . 0.0 113.178 175.088 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -81.32 -55.75 4.51 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.386 0.674 . . . . 0.0 109.613 177.325 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -58.99 -42.25 89.59 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.213 1.005 . . . . 0.0 112.458 -177.173 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.05 -51.77 67.93 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.01 0.924 . . . . 0.0 111.807 176.826 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 62.8 m-80 -72.11 -16.66 62.01 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 177.322 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -77.54 -31.57 53.37 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 119.494 1.043 . . . . 0.0 112.108 171.556 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -78.13 -40.55 37.76 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 168.331 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 118.8 6.74 11.08 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 128.868 3.128 . . . . 0.0 114.742 171.111 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.9 t -79.19 144.85 10.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 124.216 1.006 . . . . 0.0 110.943 173.369 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -164.86 63.81 0.13 Allowed 'General case' 0 CA--C 1.55 0.969 0 CA-C-O 122.577 1.179 . . . . 0.0 112.377 168.89 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.432 ' H ' HG21 ' A' ' 54' ' ' VAL . . . -91.99 -137.74 7.87 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 125.613 1.578 . . . . 0.0 115.805 176.019 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -68.54 86.96 0.31 Allowed 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.259 1.424 . . . . 0.0 112.984 -174.662 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 73.9 m95 -62.79 109.16 1.34 Allowed 'General case' 0 N--CA 1.467 0.413 0 O-C-N 120.384 -1.447 . . . . 0.0 109.785 179.445 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 75.3 m -134.07 162.03 33.22 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 126.86 2.064 . . . . 0.0 109.103 -169.383 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -154.9 165.13 37.66 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.638 1.575 . . . . 0.0 110.613 -173.575 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -142.54 156.0 45.07 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 126.338 1.855 . . . . 0.0 110.345 -174.298 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.42 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -126.24 1.93 7.1 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 114.884 1.438 . . . . 0.0 114.884 -177.379 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -89.36 -30.06 18.66 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.428 1.091 . . . . 0.0 110.309 169.332 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.04 -7.75 3.89 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 -175.586 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.42 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 1.2 mmpt? 60.68 46.71 8.89 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.328 1.851 . . . . 0.0 112.679 179.037 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 63.6 m -120.46 112.87 19.51 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.184 0.994 . . . . 0.0 111.695 -171.843 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -66.4 159.15 27.57 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.917 0.887 . . . . 0.0 111.524 169.27 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 52.8 m -146.72 153.67 40.52 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.532 1.533 . . . . 0.0 108.353 169.794 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.432 HG21 ' H ' ' A' ' 41' ' ' GLY 0.263 8.1 p -148.0 64.35 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 CA-C-O 123.204 1.478 . . . . 0.0 111.709 -177.228 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.3 m -66.04 95.85 0.29 Allowed 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.54 1.536 . . . . 0.0 112.928 -177.027 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -77.03 -31.41 56.27 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.874 1.269 . . . . 0.0 111.044 169.471 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 138.21 51.42 0.06 OUTLIER Glycine 0 CA--C 1.527 0.811 0 C-N-CA 124.218 0.914 . . . . 0.0 113.174 175.332 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.0 t -51.19 136.36 24.35 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 118.228 1.014 . . . . 0.0 112.064 172.527 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -59.39 -18.6 40.25 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.186 0.994 . . . . 0.0 113.542 170.694 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 52.6 t60 -109.09 105.56 15.1 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.025 1.73 . . . . 0.0 108.376 168.596 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -120.89 17.49 11.79 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.936 1.294 . . . . 0.0 113.326 -174.647 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 70.56 -31.13 0.21 Allowed 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 128.903 2.881 . . . . 0.0 116.069 169.878 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.485 ' CD2' HH22 ' A' ' 67' ' ' ARG . 0.0 OUTLIER -57.52 -28.48 63.51 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.424 1.489 . . . . 0.0 114.098 -175.388 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 27.8 p80 -65.92 -15.88 63.36 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 114.913 1.449 . . . . 0.0 114.913 176.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 15.1 mmt -69.02 -14.15 62.87 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 -178.617 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -149.98 167.4 26.81 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.37 1.468 . . . . 0.0 110.731 -179.265 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.485 HH22 ' CD2' ' A' ' 63' ' ' HIS . 6.6 mmp_? -134.15 -54.83 0.86 Allowed 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 125.299 1.44 . . . . 0.0 111.236 179.228 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 45.85 -36.92 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.222 1 C-N-CA 134.053 4.941 . . . . 0.0 120.055 170.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 96.9 p -73.85 -13.91 61.0 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 127.185 2.194 . . . . 0.0 115.006 178.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 80.5 m -64.62 -38.99 36.15 Favored Pre-proline 0 CA--C 1.554 1.102 0 N-CA-C 117.56 2.43 . . . . 0.0 117.56 -170.293 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -75.84 123.57 7.5 Favored 'Trans proline' 0 C--N 1.353 0.815 0 CA-C-N 122.601 1.964 . . . . 0.0 111.112 -174.718 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 11.0 mp -67.71 160.92 27.08 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-O 121.813 0.816 . . . . 0.0 111.833 173.547 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -150.96 -53.16 0.14 Allowed 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.885 1.274 . . . . 0.0 110.901 176.17 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 34.2 m 52.19 25.71 3.48 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 125.958 1.703 . . . . 0.0 115.205 171.605 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -68.2 145.47 54.28 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 120.9 -1.125 . . . . 0.0 111.925 173.781 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 73.0 t -133.64 149.64 31.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 125.853 1.661 . . . . 0.0 110.072 -174.637 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -112.85 140.83 47.31 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 127.106 2.162 . . . . 0.0 109.255 177.231 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 6.1 p -144.23 142.28 24.1 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 C-N-CA 123.342 0.657 . . . . 0.0 112.442 177.46 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -153.27 -174.94 24.12 Favored Glycine 0 CA--C 1.533 1.172 0 N-CA-C 116.519 1.368 . . . . 0.0 116.519 177.837 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . 0.264 9.6 m120 51.68 -13.13 0.0 OUTLIER 'General case' 0 CA--C 1.557 1.213 1 C-N-CA 131.857 4.063 . . . . 0.0 118.901 -175.428 . . . . . . . . 3 2 . 1 . 023 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 55.0 tp -62.01 162.46 9.22 Favored 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 127.589 2.355 . . . . 0.0 110.369 169.564 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -154.06 143.87 10.58 Favored Glycine 0 CA--C 1.532 1.104 0 C-N-CA 125.944 1.735 . . . . 0.0 111.521 172.224 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -157.56 -56.67 0.08 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.583 1.153 . . . . 0.0 111.876 179.6 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 51.4 p30 -156.5 -27.89 0.1 Allowed 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.42 1.888 . . . . 0.0 113.463 174.44 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 77.69 42.93 16.09 Favored Glycine 0 CA--C 1.531 1.033 0 C-N-CA 124.247 0.927 . . . . 0.0 113.97 -175.488 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -111.79 -52.61 2.77 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 117.557 -1.211 . . . . 0.0 112.229 170.016 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.4 ptmm? 143.76 -23.78 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 131.018 3.727 . . . . 0.0 115.268 -178.456 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 52.0 m -49.59 -52.92 26.86 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 115.673 1.731 . . . . 0.0 115.673 -168.125 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -66.05 -55.4 16.81 Favored 'General case' 0 C--N 1.339 0.12 0 CA-C-N 119.035 0.834 . . . . 0.0 110.934 -179.564 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.9 pp -61.89 -35.03 77.15 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -177.247 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -58.63 -43.28 89.66 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.505 1.122 . . . . 0.0 112.188 172.859 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.44 -41.88 72.29 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 118.803 0.728 . . . . 0.0 111.913 172.318 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.06 -44.33 82.93 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.226 1.01 . . . . 0.0 112.442 177.955 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.456 ' CD2' HG23 ' A' ' 115' ' ' VAL . 18.6 m-85 -70.75 -60.99 1.94 Allowed 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 125.953 1.701 . . . . 0.0 111.942 175.853 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -65.64 -12.48 56.61 Favored Glycine 0 CA--C 1.542 1.767 0 C-N-CA 120.213 -0.994 . . . . 0.0 115.085 -173.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -58.42 -49.19 78.17 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.208 1.803 . . . . 0.0 112.365 168.196 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -62.9 -42.08 99.66 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 118.448 0.567 . . . . 0.0 109.693 172.82 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 178.39 157.98 20.15 Favored Glycine 0 N--CA 1.475 1.242 0 CA-C-O 118.869 -0.962 . . . . 0.0 114.731 168.772 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -58.35 142.34 97.57 Favored 'Trans proline' 0 CA--C 1.536 0.618 0 C-N-CA 122.421 2.08 . . . . 0.0 113.733 -169.1 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -127.17 150.75 49.37 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.092 1.357 . . . . 0.0 112.468 179.261 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 18.6 ttm180 -93.95 -38.47 11.17 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.666 1.586 . . . . 0.0 112.97 -169.662 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.0 m -136.55 140.58 43.03 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.933 0.893 . . . . 0.0 109.833 -175.897 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 19.0 t -145.52 129.69 11.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 124.702 1.201 . . . . 0.0 107.957 -178.925 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 83.0 t90 -142.84 150.19 39.57 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 124.331 1.052 . . . . 0.0 111.208 -169.947 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 14.0 m -140.39 151.82 21.24 Favored 'Isoleucine or valine' 0 C--O 1.238 0.47 0 C-N-CA 124.031 0.932 . . . . 0.0 109.181 169.65 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -68.17 170.03 9.29 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.846 0.858 . . . . 0.0 113.173 178.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.99 45.9 0.96 Allowed 'General case' 0 N--CA 1.484 1.236 0 CA-C-O 122.752 1.263 . . . . 0.0 113.098 -173.132 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -160.47 174.72 3.66 Favored Pre-proline 0 CA--C 1.553 1.07 0 C-N-CA 130.892 3.677 . . . . 0.0 108.009 -173.392 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -50.49 154.28 6.49 Favored 'Trans proline' 0 CA--C 1.548 1.193 0 C-N-CA 122.398 2.065 . . . . 0.0 111.805 169.082 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -78.32 34.66 0.5 Allowed 'Trans proline' 0 CA--C 1.543 0.927 0 C-N-CA 124.716 3.611 . . . . 0.0 113.141 -169.848 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -68.13 -5.15 39.62 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 124.687 1.137 . . . . 0.0 111.977 169.718 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -158.55 122.69 4.04 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 127.503 2.321 . . . . 0.0 108.678 171.873 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -164.57 170.71 15.44 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 126.364 1.866 . . . . 0.0 112.477 -168.555 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.408 ' CE2' ' C4 ' ' B' ' 152' ' ' ' A' . 77.7 m-85 -144.0 163.34 33.78 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 -174.849 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.456 HG23 ' CD2' ' A' ' 94' ' ' PHE . 1.4 t -146.21 163.21 10.02 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 126.006 1.722 . . . . 0.0 111.853 -175.37 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 62.0 tt0 -142.07 99.27 3.49 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.799 2.04 . . . . 0.0 111.153 169.556 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -68.97 173.83 5.06 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.034 0.934 . . . . 0.0 112.836 170.497 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -119.08 0.63 11.31 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.251 1.02 . . . . 0.0 113.421 -179.429 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -148.34 125.48 5.58 Favored Pre-proline 0 CA--C 1.547 0.845 0 O-C-N 120.607 -1.308 . . . . 0.0 110.376 177.855 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -69.15 -24.31 32.62 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 123.131 2.554 . . . . 0.0 113.779 -173.716 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 22.8 ttp-105 -61.17 -51.42 69.12 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 119.765 1.166 . . . . 0.0 110.338 170.309 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -75.05 -35.87 61.85 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.318 -174.899 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.85 -37.55 87.79 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 122.964 0.506 . . . . 0.0 112.311 171.173 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -68.37 -45.7 72.07 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 119.297 0.953 . . . . 0.0 111.938 174.917 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.81 -42.97 80.48 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.232 0.613 . . . . 0.0 111.394 172.415 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.99 -57.91 9.88 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.112 0.565 . . . . 0.0 110.463 174.766 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 24.3 t -52.9 -35.11 21.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 125.428 1.491 . . . . 0.0 113.785 178.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.65 -1.92 36.8 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 114.676 1.361 . . . . 0.0 114.676 -174.684 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -116.46 -22.95 8.5 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.169 0.987 . . . . 0.0 113.034 169.543 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 86.3 mt -91.17 6.71 43.96 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 126.544 1.937 . . . . 0.0 111.787 169.142 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 22.0 p30 -42.59 -27.56 0.17 Allowed 'General case' 0 CA--C 1.553 1.066 0 N-CA-C 119.519 3.155 . . . . 0.0 119.519 -169.688 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 164.55 -27.1 0.2 Allowed Glycine 0 CA--C 1.533 1.183 0 C-N-CA 124.809 1.195 . . . . 0.0 115.933 -169.825 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 19.2 mtt180 -40.72 -70.11 0.11 Allowed 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 126.918 2.087 . . . . 0.0 115.127 -169.596 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 2.0 m 174.3 154.75 0.12 Allowed 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 131.334 3.854 . . . . 0.0 106.587 -177.768 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -138.2 -63.19 0.56 Allowed 'General case' 0 N--CA 1.478 0.954 0 CA-C-N 118.54 0.609 . . . . 0.0 111.025 172.194 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 2.7 t -82.67 -51.22 7.93 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 118.781 0.719 . . . . 0.0 109.852 169.254 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 170.31 33.32 0.02 OUTLIER Glycine 0 N--CA 1.476 1.337 0 CA-C-O 121.728 0.627 . . . . 0.0 113.87 177.434 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -161.9 157.76 24.36 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 128.8 2.84 . . . . 0.0 106.649 -168.235 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -69.29 130.59 43.03 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.202 0.601 . . . . 0.0 109.745 -169.356 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 7.5 p -109.21 56.77 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 126.424 1.89 . . . . 0.0 109.013 -169.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.95 113.08 2.12 Favored 'General case' 0 N--CA 1.479 0.983 0 O-C-N 120.786 -1.196 . . . . 0.0 109.504 -171.137 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 6.4 t -120.99 143.82 31.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 123.094 0.558 . . . . 0.0 111.106 -172.645 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -140.58 172.32 12.87 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.417 1.087 . . . . 0.0 110.916 171.008 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 6.2 tt -82.28 128.34 34.1 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 168.413 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.1 137.72 53.69 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -169.609 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 63.35 -44.22 0.23 Allowed 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 129.712 3.205 . . . . 0.0 116.581 170.394 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 165.11 179.69 39.17 Favored Glycine 0 CA--C 1.537 1.426 0 C-N-CA 126.385 1.945 . . . . 0.0 112.509 -174.795 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -132.91 159.76 38.98 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.657 1.183 . . . . 0.0 111.587 -178.24 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . 0.321 0.0 OUTLIER -87.48 55.83 3.69 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-O 123.096 1.427 . . . . 0.0 113.175 -171.346 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.174 0 C-N-CA 127.917 2.487 . . . . 0.0 112.001 179.759 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 151' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.128 1 C3'-C2'-C1' 105.435 4.372 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 152' ' ' ' A' . . . . . 0.408 ' C4 ' ' CE2' ' A' ' 114' ' ' PHE . . . . . . . . 0 C5'--C4' 1.537 2.05 4 O4'-C1'-N19 114.485 6.285 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.924 2 O5'-C5'-C4' 116.498 4.498 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.781 3 P-O3'-C3' 126.972 6.06 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.9 mmm . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 119.266 -0.397 . . . . 0.0 111.425 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 60.19 132.17 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 129.086 2.954 . . . . 0.0 114.965 -169.66 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -127.98 154.35 45.69 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 126.739 2.016 . . . . 0.0 109.107 -176.58 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -112.06 161.5 16.41 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.402 1.081 . . . . 0.0 111.776 -174.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.412 ' CD1' ' HG ' ' A' ' 7' ' ' LEU . 2.2 tm? -144.26 133.51 23.05 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 126.328 1.851 . . . . 0.0 110.579 176.34 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mp -114.66 112.82 41.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 125.918 1.687 . . . . 0.0 110.02 172.513 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.412 ' HG ' ' CD1' ' A' ' 5' ' ' LEU . 42.7 mt -83.09 43.44 0.87 Allowed 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 127.518 2.327 . . . . 0.0 111.912 173.57 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -58.27 124.95 21.2 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 119.612 -1.93 . . . . 0.0 112.305 -175.91 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -146.58 -163.73 10.59 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 116.902 1.521 . . . . 0.0 116.902 172.068 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.37 -30.34 6.61 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.716 1.606 . . . . 0.0 112.763 172.649 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 93.5 m -71.37 -34.49 70.48 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.411 1.084 . . . . 0.0 110.626 171.88 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -163.09 -174.69 3.96 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 128.521 2.728 . . . . 0.0 109.267 170.347 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.49 151.52 20.74 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 125.39 1.476 . . . . 0.0 110.363 166.209 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -172.6 -170.13 36.02 Favored Glycine 0 CA--C 1.529 0.949 0 N-CA-C 115.526 0.97 . . . . 0.0 115.526 168.621 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -155.32 157.96 37.99 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.637 1.175 . . . . 0.0 112.959 -179.615 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.9 t -156.25 -175.9 5.68 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 126.117 1.767 . . . . 0.0 110.404 179.194 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.6 p -141.66 175.05 10.0 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 125.211 1.405 . . . . 0.0 110.874 173.729 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.0 t -157.85 151.35 23.61 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 124.031 0.933 . . . . 0.0 110.772 171.906 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -77.03 125.9 30.08 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 106.546 -1.65 . . . . 0.0 106.546 166.392 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -143.67 174.52 10.72 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.364 1.466 . . . . 0.0 111.556 178.489 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.1 t -77.1 -47.14 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 O-C-N 121.666 -0.646 . . . . 0.0 109.994 169.158 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.4 t70 179.0 -157.12 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 130.429 3.492 . . . . 0.0 106.281 179.269 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.23 -20.81 2.87 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 120.049 -1.657 . . . . 0.0 113.963 169.661 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.61 -7.41 10.38 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.578 1.151 . . . . 0.0 113.826 172.156 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 45.3 m -138.68 -37.0 0.55 Allowed 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.538 1.535 . . . . 0.0 112.17 176.178 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.72 -38.12 86.05 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.939 1.296 . . . . 0.0 111.215 177.445 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -74.34 2.91 8.25 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 179.603 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.57 19.07 5.21 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 125.169 1.388 . . . . 0.0 111.57 173.454 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.1 t -119.54 -52.08 3.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 125.234 1.414 . . . . 0.0 109.924 177.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -62.75 -26.31 68.63 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 178.11 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -56.27 -32.89 64.95 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.571 1.148 . . . . 0.0 112.583 175.744 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -79.53 -49.77 11.74 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.312 0.645 . . . . 0.0 110.597 179.154 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -59.1 -41.82 89.02 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.538 1.135 . . . . 0.0 112.23 178.729 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.1 -46.23 90.0 Favored 'General case' 0 N--CA 1.451 -0.397 0 O-C-N 121.177 -0.952 . . . . 0.0 111.582 179.174 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -69.48 -17.41 63.61 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 114.167 1.173 . . . . 0.0 114.167 178.089 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . 0.285 1.2 p30 -91.21 -16.38 27.74 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 120.206 1.366 . . . . 0.0 114.419 171.673 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 63.6 m-80 -87.62 -32.73 19.13 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.273 0.629 . . . . 0.0 109.824 167.671 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.02 6.88 22.22 Favored Glycine 0 CA--C 1.531 1.067 0 C-N-CA 127.792 2.615 . . . . 0.0 114.928 171.219 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.2 t -84.82 152.6 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 123.857 0.863 . . . . 0.0 111.693 173.708 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -162.51 52.35 0.2 Allowed 'General case' 0 CA--C 1.549 0.93 0 CA-C-O 123.067 1.413 . . . . 0.0 111.969 168.889 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.44 -154.69 1.3 Allowed Glycine 0 CA--C 1.545 1.959 0 C-N-CA 127.188 2.327 . . . . 0.0 117.714 177.855 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -62.49 0.59 0.45 Allowed 'General case' 0 N--CA 1.486 1.349 1 N-CA-C 121.839 4.015 . . . . 0.0 121.839 -168.265 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 82.2 m95 28.4 74.51 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 129.225 3.01 . . . . 0.0 116.27 -174.735 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.46 165.48 11.63 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 125.657 1.583 . . . . 0.0 112.003 176.291 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -151.52 164.32 37.07 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 126.236 1.814 . . . . 0.0 110.737 178.688 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -139.72 168.76 19.08 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.916 1.286 . . . . 0.0 111.742 -178.239 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.418 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.4 OUTLIER -129.33 -6.16 4.8 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.768 1.627 . . . . 0.0 114.276 176.823 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.91 -32.75 51.86 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 121.467 -0.771 . . . . 0.0 110.624 170.481 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.4 t -139.01 8.78 2.53 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 177.943 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.418 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 2.8 mmpt? 53.78 42.05 31.89 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-O 122.657 1.218 . . . . 0.0 113.269 168.623 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 46.4 m -121.17 113.91 20.67 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 125.883 1.673 . . . . 0.0 109.419 -169.815 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -66.27 156.8 33.27 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.044 0.938 . . . . 0.0 110.518 169.299 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.3 m -149.18 133.47 17.42 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 108.201 -1.036 . . . . 0.0 108.201 171.11 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.2 p -130.42 66.07 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 123.12 1.438 . . . . 0.0 109.917 -171.466 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 31.0 m -58.66 100.58 0.07 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 114.359 -1.292 . . . . 0.0 113.446 -173.44 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -64.72 -14.28 58.04 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 127.871 2.468 . . . . 0.0 113.12 174.545 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -66.19 -22.64 71.0 Favored Glycine 0 CA--C 1.538 1.492 0 C-N-CA 124.341 0.972 . . . . 0.0 113.074 169.016 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.5 p 56.11 -20.65 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 129.83 3.252 . . . . 0.0 119.316 175.084 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -106.69 -7.77 17.16 Favored 'General case' 0 CA--C 1.548 0.865 0 C-N-CA 124.831 1.253 . . . . 0.0 113.385 -170.588 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -150.71 143.74 24.72 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.764 1.226 . . . . 0.0 110.851 173.592 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 31.2 m-70 -71.03 82.64 0.68 Allowed 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 126.185 1.794 . . . . 0.0 112.926 -178.674 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 33.2 m80 -75.99 54.9 0.87 Allowed 'General case' 0 CA--C 1.55 0.946 0 O-C-N 120.972 -1.08 . . . . 0.0 112.641 179.688 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -74.99 39.91 0.14 Allowed 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 126.597 1.959 . . . . 0.0 113.211 178.683 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 22.0 p80 -147.98 165.21 31.42 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.012 1.325 . . . . 0.0 112.749 -169.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.0 174.35 3.85 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.602 0.761 . . . . 0.0 112.534 170.014 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -72.8 51.06 0.27 Allowed 'General case' 0 CA--C 1.555 1.144 0 C-N-CA 125.976 1.711 . . . . 0.0 114.731 -172.953 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -67.38 179.34 1.29 Allowed 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.647 1.579 . . . . 0.0 114.492 -179.791 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -61.68 158.91 14.4 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 127.842 2.457 . . . . 0.0 115.124 174.877 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.2 t 52.68 21.32 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 128.309 2.644 . . . . 0.0 116.896 169.445 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 98.3 m -69.67 145.53 95.0 Favored Pre-proline 0 CA--C 1.555 1.16 0 O-C-N 120.698 -1.251 . . . . 0.0 112.408 179.233 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -55.72 54.85 0.04 OUTLIER 'Trans proline' 0 CA--C 1.555 1.553 1 C-N-CA 127.661 5.574 . . . . 0.0 118.291 172.825 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 85.7 mt -117.84 -0.12 11.81 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.374 1.47 . . . . 0.0 114.28 -169.672 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -156.09 169.86 23.51 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.967 1.707 . . . . 0.0 110.158 -179.231 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 4.7 m -94.82 -8.1 38.39 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.247 1.419 . . . . 0.0 113.378 175.96 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.12 130.2 39.76 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.434 1.094 . . . . 0.0 111.156 179.9 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 42.8 t -130.08 134.34 62.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 125.396 1.478 . . . . 0.0 110.935 -172.089 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -90.65 147.46 23.28 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 124.682 1.193 . . . . 0.0 109.056 169.149 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -150.12 152.65 11.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.879 0.847 . . . . 0.0 111.89 170.749 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.42 ' HA2' ' HA ' ' A' ' 112' ' ' PHE . . . -134.05 139.76 11.17 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 108.333 -1.907 . . . . 0.0 108.333 167.464 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -146.16 155.18 42.54 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 117.973 0.886 . . . . 0.0 113.295 -167.666 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 54.4 tp 56.5 -28.14 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 130.277 3.431 . . . . 0.0 117.901 176.694 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.42 26.3 70.5 Favored Glycine 0 CA--C 1.539 1.568 0 CA-C-N 120.272 1.396 . . . . 0.0 114.855 179.515 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 21.2 t30 -142.18 -47.18 0.35 Allowed 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 118.334 1.067 . . . . 0.0 113.319 -179.573 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -161.68 165.95 27.43 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.216 1.806 . . . . 0.0 110.199 179.08 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -83.88 138.98 18.13 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.975 -0.45 . . . . 0.0 111.975 171.611 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -155.76 141.46 17.94 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.243 1.817 . . . . 0.0 107.842 168.042 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.9 ptmm? -94.31 -18.42 21.64 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 115.171 1.545 . . . . 0.0 115.171 -170.233 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 14.6 m -47.6 -62.0 1.66 Allowed 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 120.403 1.456 . . . . 0.0 114.753 -169.478 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -76.26 -42.85 44.34 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 117.681 -1.152 . . . . 0.0 110.221 -176.555 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . 0.259 2.7 pp -60.02 -36.1 76.52 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 120.731 1.605 . . . . 0.0 112.618 179.56 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -61.01 -48.72 80.51 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.611 1.164 . . . . 0.0 112.429 173.898 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.9 ppt_? -65.47 -39.33 91.84 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 119.497 1.044 . . . . 0.0 112.446 172.124 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.3 -43.12 92.12 Favored 'General case' 0 C--O 1.221 -0.427 0 C-N-CA 125.127 1.371 . . . . 0.0 111.042 -174.845 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.458 ' CD2' HG22 ' A' ' 115' ' ' VAL . 10.5 m-85 -63.68 -64.66 0.84 Allowed 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 124.431 1.092 . . . . 0.0 111.497 173.229 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -61.75 -17.72 54.94 Favored Glycine 0 CA--C 1.545 1.954 0 N-CA-C 115.112 0.805 . . . . 0.0 115.112 -174.593 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -56.4 -50.93 70.18 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.848 1.659 . . . . 0.0 112.902 168.806 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -68.24 -38.74 82.16 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.403 0.681 . . . . 0.0 111.128 177.361 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -174.1 156.18 23.04 Favored Glycine 0 N--CA 1.472 1.093 0 CA-C-O 118.182 -1.344 . . . . 0.0 113.307 169.513 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -61.87 149.79 88.7 Favored 'Trans proline' 0 CA--C 1.536 0.595 0 CA-C-N 121.187 2.494 . . . . 0.0 113.215 -169.647 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -132.24 158.9 40.59 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 177.293 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 20.9 ptt-85 -120.65 -8.88 9.45 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.582 1.553 . . . . 0.0 114.607 -169.681 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.7 t -148.11 139.41 23.48 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.072 0.949 . . . . 0.0 110.935 169.329 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 12.6 t -143.73 124.64 9.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 125.759 1.624 . . . . 0.0 108.517 174.389 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 78.0 t90 -137.72 152.34 49.14 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 125.542 1.537 . . . . 0.0 111.412 179.559 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 4.5 m -145.37 150.5 15.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 124.42 1.088 . . . . 0.0 110.981 176.054 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -79.66 110.02 14.6 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.019 0.528 . . . . 0.0 110.459 178.128 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.71 23.67 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 126.893 2.077 . . . . 0.0 115.985 -174.83 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 25.3 p-10 -145.44 171.31 6.68 Favored Pre-proline 0 CA--C 1.558 1.276 0 C-N-CA 127.172 2.189 . . . . 0.0 111.083 -173.467 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -47.72 -30.34 12.62 Favored 'Trans proline' 0 CA--C 1.546 1.097 0 C-N-CA 124.708 3.606 . . . . 0.0 119.581 -172.091 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -45.66 -32.82 9.09 Favored 'Trans proline' 0 C--N 1.356 0.966 0 C-N-CA 123.965 3.11 . . . . 0.0 115.07 169.444 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 63.99 -13.01 0.15 Allowed Glycine 0 CA--C 1.536 1.352 0 N-CA-C 118.659 2.224 . . . . 0.0 118.659 168.787 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.42 ' HA ' ' HA2' ' A' ' 79' ' ' GLY 0.379 0.1 OUTLIER -66.66 176.76 1.82 Allowed 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 119.096 1.448 . . . . 0.0 113.041 174.951 . . . . . . . . 4 4 . 1 . 024 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -158.95 170.84 21.21 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 126.346 1.858 . . . . 0.0 113.547 -168.162 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.407 ' CE2' ' C4 ' ' B' ' 152' ' ' ' A' . 89.2 m-85 -147.14 157.7 43.69 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 177.576 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.458 HG22 ' CD2' ' A' ' 94' ' ' PHE . 2.3 t -149.28 157.45 6.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 125.038 1.335 . . . . 0.0 112.604 -174.408 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -133.08 112.43 11.78 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.551 1.14 . . . . 0.0 108.355 165.725 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -74.02 168.03 20.34 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.959 1.303 . . . . 0.0 113.806 173.46 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -71.34 -43.66 66.56 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 121.229 -0.92 . . . . 0.0 112.244 176.78 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -132.84 153.88 81.21 Favored Pre-proline 0 CA--C 1.555 1.153 0 C-N-CA 125.567 1.547 . . . . 0.0 112.468 179.693 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -57.62 -31.83 92.85 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 123.771 2.981 . . . . 0.0 115.024 178.539 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.84 -38.53 79.86 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 120.153 1.342 . . . . 0.0 111.984 173.969 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -57.01 -49.14 76.71 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 119.268 0.94 . . . . 0.0 110.272 173.729 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.47 -43.74 98.1 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-O 118.727 -0.654 . . . . 0.0 112.678 174.6 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.51 -44.5 86.79 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 119.915 1.234 . . . . 0.0 112.691 -178.493 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -64.47 -40.41 95.64 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 118.631 0.65 . . . . 0.0 110.987 174.826 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.49 -53.62 39.88 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 122.023 -0.423 . . . . 0.0 111.695 177.49 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 38.2 t -52.69 -42.54 41.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 125.51 1.524 . . . . 0.0 111.8 176.126 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 34.7 ttp-105 -69.41 -38.58 77.99 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.428 0.691 . . . . 0.0 112.445 179.746 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -97.58 -0.3 46.06 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 -176.245 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 90.4 mt -115.19 -17.15 11.45 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.29 1.836 . . . . 0.0 112.804 173.067 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 41.8 p30 6.43 -54.74 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.973 1 C-N-CA 132.441 4.297 . . . . 0.0 120.145 169.805 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 167.47 12.45 0.02 OUTLIER Glycine 0 CA--C 1.539 1.583 0 C-N-CA 128.349 2.88 . . . . 0.0 116.393 -179.071 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -69.81 -49.1 55.97 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.847 1.659 . . . . 0.0 115.168 -169.503 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 165.09 146.8 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 130.34 3.456 . . . . 0.0 108.747 175.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 10.9 tp -165.82 147.02 6.95 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 127.001 2.12 . . . . 0.0 106.484 177.452 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 64.3 m 63.35 -40.91 0.2 Allowed 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 127.72 2.408 . . . . 0.0 112.098 -166.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 144.22 28.14 0.11 Allowed Glycine 0 CA--C 1.528 0.904 0 C-N-CA 126.772 2.13 . . . . 0.0 115.048 168.373 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 12.0 t -148.69 -152.31 0.43 Allowed 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.019 1.327 . . . . 0.0 107.6 -174.718 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -70.72 142.21 51.49 Favored 'General case' 0 N--CA 1.463 0.217 0 O-C-N 121.351 -0.843 . . . . 0.0 110.854 171.084 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 9.5 p -130.32 169.86 20.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 105.558 -2.015 . . . . 0.0 105.558 168.074 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -161.51 133.56 5.75 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 126.172 1.789 . . . . 0.0 107.725 168.968 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 64.5 t -139.18 134.59 41.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 CA-C-N 119.293 0.951 . . . . 0.0 110.206 -174.473 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -139.85 161.62 37.14 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.714 0.806 . . . . 0.0 111.179 -176.324 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.76 134.58 38.03 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 168.872 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.42 149.7 47.89 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 -169.833 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . 0.503 HD21 ' N4 ' ' B' ' 151' ' ' ' C' . 70.8 m-80 -134.96 158.87 43.21 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.982 1.713 . . . . 0.0 111.734 -175.505 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -63.14 -27.81 71.15 Favored Glycine 0 CA--C 1.538 1.508 0 C-N-CA 123.624 0.63 . . . . 0.0 113.715 171.45 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -153.68 143.28 21.74 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.58 1.552 . . . . 0.0 110.846 170.051 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? 168.63 163.89 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 130.006 3.322 . . . . 0.0 111.096 169.28 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.052 0 C-N-CA 127.109 2.164 . . . . 0.0 110.81 170.508 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 151' ' ' ' C' . . . . . 0.503 ' N4 ' HD21 ' A' ' 146' ' ' ASN . . . . . . . . 0 O4'--C4' 1.417 -2.98 1 C3'-C2'-C1' 105.94 4.934 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 152' ' ' ' A' . . . . . 0.407 ' C4 ' ' CE2' ' A' ' 114' ' ' PHE . . . . . . . . 0 O4'--C4' 1.432 -1.712 3 C4'-C3'-C2' 96.393 -6.307 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.971 2 C5'-C4'-O4' 117.473 5.909 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.063 2 O4'-C1'-N19 114.587 6.387 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 91.9 mtp . . . . . 0 N--CA 1.486 1.365 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . 0.266 15.9 tt0 64.74 137.77 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 128.154 2.582 . . . . 0.0 114.835 -169.749 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.419 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 89.8 m-85 -128.55 150.1 50.33 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 127.058 2.143 . . . . 0.0 108.885 -176.703 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -105.71 162.35 13.6 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.743 1.217 . . . . 0.0 111.491 -179.455 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -144.92 137.91 26.53 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 127.044 2.138 . . . . 0.0 110.315 175.96 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.3 mp -117.28 113.63 43.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 126.42 1.888 . . . . 0.0 109.7 173.434 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 84.2 mt -85.18 66.8 9.92 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 126.508 1.923 . . . . 0.0 110.271 171.65 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -67.34 72.71 0.13 Allowed 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.352 1.242 . . . . 0.0 114.352 -177.035 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -114.1 132.98 10.86 Favored Glycine 0 N--CA 1.471 1.024 0 CA-C-O 122.864 1.258 . . . . 0.0 115.251 177.244 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.14 -39.25 5.87 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 127.669 2.387 . . . . 0.0 117.422 -169.379 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 38.8 m -105.48 -9.22 17.62 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.384 1.074 . . . . 0.0 113.212 -173.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -147.7 2.22 0.71 Allowed 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 117.682 2.475 . . . . 0.0 117.682 -166.754 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.25 146.1 0.09 Allowed 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 117.154 2.279 . . . . 0.0 117.154 -168.426 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.86 -160.63 15.8 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 117.364 1.705 . . . . 0.0 117.364 169.585 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -147.29 165.54 29.81 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.344 1.458 . . . . 0.0 111.647 -175.628 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.0 t -160.19 -177.53 6.34 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.883 1.673 . . . . 0.0 110.238 169.15 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 74.8 p -141.47 170.09 16.37 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 126.022 1.729 . . . . 0.0 109.711 172.112 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.0 t -155.92 155.79 33.45 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 121.204 -0.935 . . . . 0.0 110.876 170.734 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -84.09 119.51 25.06 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 168.252 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.36 173.86 11.11 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.698 1.599 . . . . 0.0 112.077 -176.704 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 83.9 t -77.87 -46.63 26.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 O-C-N 121.631 -0.668 . . . . 0.0 110.5 169.275 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.419 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 5.3 t70 177.25 -156.88 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 131.064 3.746 . . . . 0.0 106.07 179.429 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.67 -20.37 2.03 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 120.014 -1.679 . . . . 0.0 114.163 169.841 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.17 -7.24 11.72 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.452 1.101 . . . . 0.0 113.735 172.002 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 54.3 m -140.34 -37.69 0.46 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.979 1.712 . . . . 0.0 112.101 177.035 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.01 -38.85 86.7 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.164 1.386 . . . . 0.0 111.046 177.622 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -74.48 3.31 7.78 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.426 ' HE3' HG22 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -131.27 19.13 4.87 Favored 'General case' 0 C--O 1.226 -0.176 0 C-N-CA 125.111 1.364 . . . . 0.0 111.492 172.924 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.426 HG22 ' HE3' ' A' ' 28' ' ' LYS . 3.5 t -119.21 -51.73 3.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 124.928 1.291 . . . . 0.0 110.117 176.79 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -60.38 -27.46 67.43 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.816 0.672 . . . . 0.0 112.816 177.084 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -56.87 -30.31 63.73 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.886 1.274 . . . . 0.0 112.78 174.119 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -77.78 -52.4 8.98 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 118.605 0.639 . . . . 0.0 110.71 176.808 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -61.8 -41.8 98.21 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.362 1.065 . . . . 0.0 112.383 -178.09 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.38 -50.58 73.14 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 123.353 0.661 . . . . 0.0 111.455 178.116 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 57.4 m-80 -71.82 -15.83 62.15 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 179.881 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -81.78 -31.34 31.9 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 118.99 0.814 . . . . 0.0 112.89 172.112 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 56.8 m-80 -76.97 -35.91 56.85 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 168.08 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 118.56 -3.73 15.3 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 129.297 3.332 . . . . 0.0 114.28 172.4 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 71.4 t -72.28 148.47 9.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 CA-C-N 118.603 1.202 . . . . 0.0 111.878 176.312 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -164.64 52.24 0.12 Allowed 'General case' 0 CA--C 1.547 0.856 0 CA-C-O 123.323 1.535 . . . . 0.0 109.866 167.953 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.38 -157.42 0.22 Allowed Glycine 0 CA--C 1.539 1.555 0 C-N-CA 127.067 2.27 . . . . 0.0 116.351 172.721 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -71.6 95.61 1.45 Allowed 'General case' 0 CA--C 1.546 0.789 0 O-C-N 121.344 -1.091 . . . . 0.0 112.178 177.843 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 84.8 m95 -60.6 118.88 7.1 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 120.717 -1.24 . . . . 0.0 110.07 -179.313 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -130.72 161.05 32.54 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 126.851 2.06 . . . . 0.0 110.243 -174.397 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -153.09 164.87 37.22 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.69 1.196 . . . . 0.0 111.101 -179.688 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -140.6 164.22 30.75 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.015 1.726 . . . . 0.0 110.463 -176.826 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.403 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 21.4 t70 -132.57 -2.02 3.43 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.095 1.358 . . . . 0.0 114.59 -179.311 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.83 -28.88 32.84 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 121.453 -0.779 . . . . 0.0 110.28 169.572 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.6 p -135.11 -12.88 2.15 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 125.667 1.587 . . . . 0.0 113.175 -171.951 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.403 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 1.0 OUTLIER 62.54 46.58 5.49 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.622 1.569 . . . . 0.0 112.407 178.018 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 95.4 m -118.25 113.64 21.8 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 125.041 1.337 . . . . 0.0 111.088 -174.059 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -67.64 159.31 30.22 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.994 0.918 . . . . 0.0 111.171 169.033 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 25.7 m -146.23 159.6 43.11 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 125.321 1.449 . . . . 0.0 107.814 170.645 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.259 12.2 p -152.73 68.84 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-O 122.77 1.272 . . . . 0.0 110.943 -179.519 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 94.8 m -66.48 113.68 4.9 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.496 -0.752 . . . . 0.0 112.266 -172.146 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.43 86.83 5.71 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.214 1.405 . . . . 0.0 113.338 -170.004 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -123.69 37.31 2.75 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 126.566 2.031 . . . . 0.0 109.69 168.797 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 94.1 p -126.43 -20.63 4.36 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 126.06 1.744 . . . . 0.0 113.735 -169.674 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -132.42 71.45 1.47 Allowed 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.883 2.073 . . . . 0.0 109.053 -176.947 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -58.37 -18.9 31.34 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 120.838 -1.164 . . . . 0.0 113.744 -178.714 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 32.0 p80 -62.63 -18.83 63.01 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 170.926 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 25.8 m170 -76.85 -11.39 59.82 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 119.451 1.023 . . . . 0.0 113.646 169.761 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 44.0 t60 -59.89 141.66 55.04 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 119.806 1.185 . . . . 0.0 113.238 -171.318 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 33.7 t-80 -146.88 173.66 12.21 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 127.384 2.274 . . . . 0.0 108.336 174.569 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 43.3 tpp -66.33 75.32 0.09 Allowed 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.521 1.528 . . . . 0.0 113.474 -175.408 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 56.8 m-70 -141.35 136.05 31.09 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.596 1.558 . . . . 0.0 113.344 -173.029 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.2 mmt180 -139.31 7.7 2.4 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 126.414 1.885 . . . . 0.0 111.404 167.344 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -62.75 161.42 12.53 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.485 0.714 . . . . 0.0 110.649 169.177 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.9 m 63.29 -18.8 0.06 Allowed 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 116.034 1.864 . . . . 0.0 116.034 -178.846 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 7.2 t -145.25 67.49 13.17 Favored Pre-proline 0 CA--C 1.554 1.114 0 C-N-CA 126.399 1.879 . . . . 0.0 110.568 170.629 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -55.45 -18.48 19.59 Favored 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 124.705 3.603 . . . . 0.0 116.923 -174.154 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.5 tp -141.47 179.74 6.62 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.056 1.742 . . . . 0.0 110.053 177.734 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -147.67 168.95 20.74 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.093 0.957 . . . . 0.0 111.671 -172.523 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 4.4 t -76.74 34.99 0.15 Allowed 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.16 1.384 . . . . 0.0 112.633 176.335 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.33 139.35 37.12 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 126.812 2.045 . . . . 0.0 112.258 -169.352 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -134.94 154.57 36.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 C-N-CA 126.807 2.043 . . . . 0.0 109.089 -177.787 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -112.45 148.82 33.57 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 127.926 2.49 . . . . 0.0 109.829 -176.723 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.9 p -144.98 140.23 22.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-O 121.609 0.719 . . . . 0.0 111.321 169.152 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -154.65 -177.86 28.42 Favored Glycine 0 N--CA 1.474 1.231 0 N-CA-C 116.29 1.276 . . . . 0.0 116.29 175.458 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 25.3 m120 48.14 62.24 2.6 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.688 1.595 . . . . 0.0 112.127 -173.925 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.3 pp -114.42 -16.0 12.01 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 116.178 1.918 . . . . 0.0 116.178 -169.507 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 114.34 -171.52 13.8 Favored Glycine 0 N--CA 1.48 1.582 0 CA-C-N 120.823 1.647 . . . . 0.0 115.805 174.726 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -78.65 45.37 0.58 Allowed 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 126.966 2.106 . . . . 0.0 112.502 -179.947 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 63.0 t-20 -150.02 158.42 44.15 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 127.39 2.276 . . . . 0.0 108.49 -169.608 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 163.08 -141.04 6.87 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 120.629 -1.294 . . . . 0.0 116.302 -170.203 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 61.3 t30 66.27 -41.72 0.37 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 130.487 3.515 . . . . 0.0 114.248 -169.59 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.277 20.3 pttp 150.39 -32.77 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.068 1 C-N-CA 131.86 4.064 . . . . 0.0 114.44 168.457 . . . . . . . . 3 2 . 1 . 025 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 54.5 m -40.2 -58.43 1.48 Allowed 'General case' 0 N--CA 1.483 1.225 0 N-CA-C 115.438 1.644 . . . . 0.0 115.438 -169.192 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.46 ' HG2' ' HG ' ' A' ' 136' ' ' CYS . 1.0 OUTLIER -64.91 -56.54 12.67 Favored 'General case' 0 C--O 1.235 0.318 0 O-C-N 122.068 -0.395 . . . . 0.0 110.628 -178.242 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.4 pp -65.42 -28.68 69.42 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -174.218 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -64.59 -47.94 76.8 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 126.346 1.858 . . . . 0.0 111.116 175.896 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.78 -31.95 71.33 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 119.398 0.999 . . . . 0.0 112.525 170.695 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.59 -45.45 94.06 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 118.827 0.74 . . . . 0.0 112.158 176.059 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -64.49 -64.81 0.78 Allowed 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 125.961 1.704 . . . . 0.0 110.984 173.617 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -54.08 -22.31 20.52 Favored Glycine 0 CA--C 1.546 2.006 0 N-CA-C 116.178 1.231 . . . . 0.0 116.178 -179.447 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -56.58 -50.72 71.1 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.583 1.553 . . . . 0.0 113.257 169.021 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.44 ' CE2' HD23 ' A' ' 130' ' ' LEU . 88.9 m-85 -63.91 -38.14 90.0 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 118.97 0.805 . . . . 0.0 109.997 175.511 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 176.05 165.45 31.89 Favored Glycine 0 N--CA 1.471 1.012 0 CA-C-O 118.863 -0.965 . . . . 0.0 113.982 168.871 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -61.04 126.06 18.61 Favored 'Trans proline' 0 N--CA 1.459 -0.516 0 CA-C-N 120.565 2.183 . . . . 0.0 114.483 -169.006 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 23.5 mt -63.17 161.12 14.1 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 126.532 1.933 . . . . 0.0 113.067 171.113 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.7 ttm180 -110.8 -35.96 5.83 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.541 1.536 . . . . 0.0 110.743 169.043 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.6 m -168.98 161.06 10.46 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 126.148 1.779 . . . . 0.0 111.216 171.191 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 60.4 t -142.06 141.89 28.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 125.35 1.46 . . . . 0.0 109.305 177.303 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 72.0 t90 -140.66 142.68 34.92 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.716 1.607 . . . . 0.0 110.372 179.112 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -142.29 146.77 22.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 169.28 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -57.08 152.61 13.0 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 -178.63 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -76.24 -37.45 57.65 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.162 0.985 . . . . 0.0 109.957 169.5 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -64.95 156.13 81.19 Favored Pre-proline 0 CA--C 1.552 1.027 0 C-N-CA 124.305 1.042 . . . . 0.0 108.611 167.249 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 0.8 OUTLIER -24.17 97.14 0.01 OUTLIER 'Trans proline' 0 CA--C 1.551 1.348 1 C-N-CA 126.44 4.76 . . . . 0.0 117.037 -169.538 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.401 ' C ' ' H ' ' A' ' 112' ' ' PHE . 85.6 Cg_exo -57.5 15.81 0.03 OUTLIER 'Trans proline' 0 CA--C 1.545 1.04 1 C-N-CA 126.882 5.055 . . . . 0.0 119.415 -173.02 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -69.54 12.81 1.3 Allowed Glycine 0 CA--C 1.54 1.639 0 C-N-CA 125.93 1.729 . . . . 0.0 114.877 178.321 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.401 ' H ' ' C ' ' A' ' 110' ' ' PRO . 0.0 OUTLIER -157.17 143.17 17.78 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 129.752 3.221 . . . . 0.0 106.89 -171.028 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -163.21 171.5 16.16 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 124.049 0.94 . . . . 0.0 112.887 -169.576 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -135.95 157.46 46.79 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.698 1.199 . . . . 0.0 112.647 176.942 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 1.1 p -156.61 154.72 5.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 124.389 1.075 . . . . 0.0 111.763 -170.515 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -143.79 150.36 38.44 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 125.425 1.49 . . . . 0.0 110.082 168.11 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -121.0 160.72 22.95 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.977 1.311 . . . . 0.0 111.854 -172.807 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -81.21 -21.69 39.38 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 120.921 -1.112 . . . . 0.0 113.33 -175.83 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -125.91 125.05 24.82 Favored Pre-proline 0 CA--C 1.545 0.784 0 C-N-CA 126.285 1.834 . . . . 0.0 107.915 170.486 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -49.26 -28.88 15.83 Favored 'Trans proline' 0 CA--C 1.535 0.561 0 C-N-CA 123.705 2.936 . . . . 0.0 114.413 171.771 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.12 -26.08 62.86 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.169 0.987 . . . . 0.0 113.168 174.165 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -67.76 -45.8 73.88 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 119.796 1.18 . . . . 0.0 110.273 169.72 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.78 -34.88 78.18 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 118.462 -0.78 . . . . 0.0 112.002 172.941 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.54 -45.27 76.16 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 120.06 1.3 . . . . 0.0 112.914 174.307 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -54.21 -46.09 72.4 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.191 0.596 . . . . 0.0 110.445 170.532 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.87 -51.01 64.32 Favored 'General case' 0 CA--C 1.549 0.941 0 O-C-N 121.577 -0.702 . . . . 0.0 111.672 176.699 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 24.2 t -56.95 -18.15 6.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 O-C-N 119.748 -1.845 . . . . 0.0 114.222 178.186 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.72 -2.91 11.79 Favored 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 116.026 1.862 . . . . 0.0 116.026 173.009 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -132.56 -1.53 3.47 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.163 1.385 . . . . 0.0 114.543 -176.142 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.44 HD23 ' CE2' ' A' ' 97' ' ' TYR . 8.6 tp -126.31 -6.31 6.52 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 128.092 2.557 . . . . 0.0 111.409 -177.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -86.93 133.84 33.56 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 127.456 2.302 . . . . 0.0 112.937 179.024 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 53.44 37.66 56.22 Favored Glycine 0 CA--C 1.537 1.443 0 O-C-N 120.463 -1.398 . . . . 0.0 113.856 179.295 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 27.0 mmt-85 -111.66 -17.18 13.07 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 115.047 1.499 . . . . 0.0 115.047 -169.634 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 97.0 m 63.19 131.4 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 127.498 2.319 . . . . 0.0 110.713 -168.27 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 18.8 tp -150.23 -78.98 0.13 Allowed 'General case' 0 N--CA 1.472 0.625 0 O-C-N 121.316 -0.865 . . . . 0.0 111.627 -169.587 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . 0.46 ' HG ' ' HG2' ' A' ' 89' ' ' GLU . 12.3 m -69.08 -21.41 64.07 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 123.756 0.823 . . . . 0.0 111.33 178.781 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 158.56 -21.54 0.33 Allowed Glycine 0 CA--C 1.536 1.402 0 C-N-CA 125.396 1.474 . . . . 0.0 116.237 169.864 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 11.9 t -106.33 -90.02 0.43 Allowed 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 118.639 1.219 . . . . 0.0 113.055 -169.757 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -141.94 -29.94 0.59 Allowed 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 116.931 2.197 . . . . 0.0 116.931 -170.361 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . 0.291 3.3 m 45.72 74.21 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 129.798 3.239 . . . . 0.0 115.996 -171.395 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -65.36 134.84 54.4 Favored 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 105.748 -1.945 . . . . 0.0 105.748 166.275 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 81.2 t -141.08 129.04 22.74 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 CA-C-N 119.754 1.161 . . . . 0.0 108.631 -176.289 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -144.39 171.7 13.97 Favored 'General case' 0 N--CA 1.483 1.193 0 CA-C-N 119.011 0.823 . . . . 0.0 111.38 -172.067 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 8.9 tt -73.22 135.86 44.6 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 119.828 -1.795 . . . . 0.0 108.656 168.253 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 24.5 t -80.77 142.39 33.82 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -172.954 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -50.81 -26.13 5.31 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 116.18 1.919 . . . . 0.0 116.18 -177.789 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 170.11 -170.24 42.75 Favored Glycine 0 CA--C 1.529 0.928 0 C-N-CA 124.295 0.95 . . . . 0.0 112.942 178.572 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -166.31 166.14 16.88 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.733 1.613 . . . . 0.0 111.122 170.232 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.56 143.88 42.98 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.634 1.173 . . . . 0.0 111.798 172.561 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 33.7 mmt180 . . . . . 0 C--O 1.246 0.896 0 C-N-CA 127.491 2.316 . . . . 0.0 110.463 -171.257 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 151' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.802 1 C3'-C2'-C1' 105.189 4.099 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 152' ' ' ' A' . . . . . 0.461 " H4'" ' C5 ' ' B' ' 153' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.537 2.106 2 O4'-C1'-N19 114.879 6.679 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' B' B ' 153' ' ' ' U' . . . . . 0.489 HO2' ' P ' ' B' ' 154' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.544 2.616 3 C2'-C3'-O3' 124.298 4.749 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 025 nuclear orig full ' B' B ' 154' ' ' ' C' . . . . . 0.489 ' P ' HO2' ' B' ' 153' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.416 -3.107 3 O4'-C1'-N19 117.064 8.864 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.5 mmm . . . . . 0 N--CA 1.485 1.303 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -85.68 143.07 28.59 Favored 'General case' 0 CA--C 1.546 0.813 0 O-C-N 120.552 -1.343 . . . . 0.0 111.76 177.875 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -127.06 153.56 45.81 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 127.425 2.29 . . . . 0.0 108.951 -179.792 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -103.68 161.26 14.06 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.492 1.117 . . . . 0.0 111.177 178.343 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -144.96 135.8 24.66 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 126.641 1.976 . . . . 0.0 110.118 175.052 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mp -114.49 109.77 29.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 126.309 1.843 . . . . 0.0 109.505 172.325 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 88.0 mt -78.77 79.22 5.19 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 124.473 1.109 . . . . 0.0 108.162 168.91 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 22.3 m-20 -63.1 49.72 0.02 OUTLIER 'General case' 0 CA--C 1.56 1.353 0 C-N-CA 125.469 1.507 . . . . 0.0 111.952 168.607 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.26 73.65 2.07 Favored Glycine 0 C--N 1.334 0.467 0 O-C-N 119.465 -2.022 . . . . 0.0 111.572 -172.967 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? 25.52 -84.58 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 129.649 3.18 . . . . 0.0 115.429 172.29 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.18 -32.48 61.26 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 126.637 1.975 . . . . 0.0 113.099 -171.432 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.2 pp -109.8 -37.02 5.76 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 114.686 1.365 . . . . 0.0 114.686 -168.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 12.91 145.74 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.965 1 C-N-CA 133.881 4.872 . . . . 0.0 121.527 -168.761 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.83 -161.98 18.68 Favored Glycine 0 CA--C 1.531 1.078 0 N-CA-C 117.562 1.785 . . . . 0.0 117.562 169.763 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -156.46 157.02 34.77 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.632 1.573 . . . . 0.0 112.843 -179.626 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.9 t -159.98 -172.03 3.47 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 126.168 1.787 . . . . 0.0 109.521 178.047 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 64.3 p -138.55 169.42 17.81 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 126.086 1.755 . . . . 0.0 110.733 176.715 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.0 t -153.46 151.87 30.36 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.404 1.082 . . . . 0.0 110.593 177.483 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.9 tp10 -84.02 115.98 22.61 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 169.241 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.76 177.01 8.19 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.198 1.399 . . . . 0.0 113.653 179.823 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.469 ' H ' ' HB ' ' A' ' 25' ' ' THR . 97.7 t -79.33 -49.17 20.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 O-C-N 120.842 -1.161 . . . . 0.0 110.61 169.323 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 t70 178.49 -157.7 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 131.52 3.928 . . . . 0.0 105.821 179.729 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.98 -18.87 1.53 Allowed 'General case' 0 CA--C 1.546 0.824 0 CA-C-N 121.376 1.898 . . . . 0.0 114.667 170.859 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.27 -10.41 42.08 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.451 1.1 . . . . 0.0 113.488 172.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.469 ' HB ' ' H ' ' A' ' 21' ' ' VAL . 46.4 m -140.06 -32.41 0.61 Allowed 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.269 1.827 . . . . 0.0 112.542 178.682 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.4 -36.13 78.67 Favored 'General case' 0 CA--C 1.546 0.799 0 O-C-N 120.838 -1.164 . . . . 0.0 110.632 174.868 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -76.41 5.17 7.59 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 114.656 1.354 . . . . 0.0 114.656 178.449 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.19 18.33 3.42 Favored 'General case' 0 N--CA 1.466 0.351 0 O-C-N 120.307 -1.495 . . . . 0.0 111.738 173.561 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.1 p -120.47 -41.75 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 C-N-CA 124.377 1.071 . . . . 0.0 112.195 177.287 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -68.78 -26.02 65.0 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 123.99 0.916 . . . . 0.0 113.11 173.296 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -54.97 -29.95 58.04 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.261 1.424 . . . . 0.0 112.959 175.123 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -80.25 -53.18 6.89 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 123.993 0.917 . . . . 0.0 110.283 177.033 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -57.0 -43.04 81.36 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.471 1.109 . . . . 0.0 112.327 178.878 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.79 -53.3 58.37 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 124.075 0.95 . . . . 0.0 111.541 175.751 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -69.86 -16.1 63.2 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.128 0.971 . . . . 0.0 113.504 177.261 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -78.19 -31.44 49.51 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 120.191 1.36 . . . . 0.0 112.299 170.831 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -77.95 -37.32 47.78 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 168.0 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 123.23 -11.35 8.62 Favored Glycine 0 CA--C 1.539 1.551 1 C-N-CA 130.727 4.013 . . . . 0.0 113.896 172.549 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.5 t -62.11 148.07 10.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 CA-C-N 118.834 1.317 . . . . 0.0 111.986 -177.389 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -163.96 61.04 0.16 Allowed 'General case' 0 CA--C 1.551 0.999 0 CA-C-O 122.517 1.151 . . . . 0.0 113.407 169.458 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -88.29 -150.98 21.9 Favored Glycine 0 CA--C 1.543 1.802 0 C-N-CA 126.342 1.925 . . . . 0.0 116.295 -176.742 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -71.94 94.7 1.48 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.848 1.659 . . . . 0.0 111.809 175.804 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -64.22 128.98 38.13 Favored 'General case' 0 N--CA 1.465 0.308 0 O-C-N 120.617 -1.302 . . . . 0.0 110.342 -179.384 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.69 162.63 32.21 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 126.529 1.932 . . . . 0.0 110.373 -170.931 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -154.39 167.86 28.57 Favored 'General case' 0 CA--C 1.543 0.712 0 C-N-CA 124.201 1.0 . . . . 0.0 111.834 -178.841 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -144.24 161.48 38.8 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.39 1.876 . . . . 0.0 110.523 -177.767 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -129.68 -1.68 4.83 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 179.446 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.52 -28.43 33.98 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 121.521 -0.737 . . . . 0.0 110.664 170.273 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.6 p -135.23 -13.04 2.11 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.719 1.608 . . . . 0.0 113.203 -172.369 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? 63.65 47.31 3.75 Favored 'General case' 0 C--N 1.347 0.489 0 C-N-CA 125.848 1.659 . . . . 0.0 112.425 178.544 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 89.6 m -117.09 110.86 18.73 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.81 1.244 . . . . 0.0 111.615 -173.931 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -64.62 160.62 19.32 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.043 0.937 . . . . 0.0 110.959 168.623 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 32.4 m -147.19 161.54 40.7 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 125.216 1.406 . . . . 0.0 107.963 170.498 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.6 p -151.06 93.58 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 C-N-CA 124.752 1.221 . . . . 0.0 110.629 172.309 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 50.0 m -85.59 116.1 23.68 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 121.625 -0.672 . . . . 0.0 110.884 -178.45 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -72.94 47.22 0.18 Allowed 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.237 1.415 . . . . 0.0 114.101 179.039 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.3 -17.02 37.21 Favored Glycine 0 CA--C 1.54 1.598 0 C-N-CA 125.007 1.289 . . . . 0.0 113.215 169.489 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.7 p -62.73 -12.21 22.45 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.962 2.105 . . . . 0.0 114.2 169.155 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . 0.275 0.1 OUTLIER 57.36 -13.85 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 130.52 3.528 . . . . 0.0 119.747 172.172 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 48.3 m80 -70.26 3.07 3.1 Favored 'General case' 0 CA--C 1.553 1.072 0 N-CA-C 115.594 1.702 . . . . 0.0 115.594 -177.459 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 73.63 -44.98 0.59 Allowed 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 129.183 2.993 . . . . 0.0 115.459 173.63 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.2 p-80 -147.51 131.93 17.62 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 114.395 1.257 . . . . 0.0 114.395 -174.487 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 39.2 m-70 61.43 151.26 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 128.944 2.897 . . . . 0.0 116.1 175.617 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -152.91 161.89 41.99 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.478 1.511 . . . . 0.0 110.389 175.637 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 9.7 tpt 61.6 4.61 1.06 Allowed 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 126.235 1.814 . . . . 0.0 113.638 -169.293 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 36.2 m80 -151.11 159.15 44.66 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 129.093 2.957 . . . . 0.0 108.194 -176.625 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.8 tpp180 -144.41 67.38 1.26 Allowed 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 175.803 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -71.77 -30.79 65.94 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.728 1.211 . . . . 0.0 114.0 170.216 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 81.2 p -160.72 162.63 32.58 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.625 1.17 . . . . 0.0 113.097 -173.284 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -150.11 165.85 16.54 Favored Pre-proline 0 CA--C 1.548 0.892 0 C-N-CA 126.358 1.863 . . . . 0.0 111.007 173.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -65.4 155.54 68.17 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 122.574 2.183 . . . . 0.0 112.107 179.63 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 38.1 mt -118.86 12.15 12.81 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.019 1.328 . . . . 0.0 112.364 -171.329 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -157.86 -39.64 0.07 Allowed 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.386 1.475 . . . . 0.0 113.708 -168.407 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 8.9 t -66.58 -23.03 66.14 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.058 1.343 . . . . 0.0 113.444 -175.919 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.4 ttmm -166.99 128.95 1.68 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 128.379 2.672 . . . . 0.0 109.482 168.156 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.0 m -118.23 150.95 20.32 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 C-N-CA 127.848 2.459 . . . . 0.0 108.204 176.212 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -98.15 151.75 20.07 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 124.993 1.317 . . . . 0.0 110.131 178.002 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -155.51 151.11 10.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 122.065 0.936 . . . . 0.0 112.049 175.609 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -150.28 134.48 4.81 Favored Glycine 0 CA--C 1.528 0.892 0 N-CA-C 110.129 -1.189 . . . . 0.0 110.129 168.487 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -146.69 151.21 36.85 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 118.096 0.948 . . . . 0.0 112.877 -169.772 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.6 tp 60.26 -37.01 0.08 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 129.473 3.109 . . . . 0.0 115.861 -177.671 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 70.5 165.18 5.52 Favored Glycine 0 CA--C 1.538 1.496 0 C-N-CA 126.612 2.053 . . . . 0.0 113.097 -169.483 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 18.3 m120 57.06 -8.53 0.03 OUTLIER 'General case' 0 CA--C 1.557 1.219 0 C-N-CA 127.712 2.405 . . . . 0.0 117.465 -178.32 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -157.18 162.46 39.32 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.13 1.372 . . . . 0.0 112.35 171.266 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -140.53 127.49 3.49 Favored Glycine 0 N--CA 1.472 1.049 0 C-N-CA 125.947 1.737 . . . . 0.0 112.044 -176.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -149.54 134.97 18.38 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.88 1.272 . . . . 0.0 109.857 170.618 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.29 -22.67 64.72 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 115.508 1.669 . . . . 0.0 115.508 -177.704 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 26.7 m -52.36 -56.46 14.76 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 114.992 1.479 . . . . 0.0 114.992 -169.182 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -75.86 -43.69 44.42 Favored 'General case' 0 C--N 1.345 0.375 0 CA-C-N 119.579 1.081 . . . . 0.0 110.541 -176.966 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.2 pp -60.78 -35.53 76.68 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 120.158 1.345 . . . . 0.0 112.334 178.769 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -60.28 -50.04 75.23 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 121.139 -0.976 . . . . 0.0 112.163 173.212 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.38 -34.69 78.91 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 119.555 1.07 . . . . 0.0 112.279 173.513 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.86 -43.32 83.89 Favored 'General case' 0 C--O 1.223 -0.311 0 C-N-CA 124.159 0.984 . . . . 0.0 111.427 -177.443 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -67.75 -62.62 1.33 Allowed 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 124.562 1.145 . . . . 0.0 111.422 173.557 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.03 -17.91 45.98 Favored Glycine 0 CA--C 1.545 1.964 0 N-CA-C 115.817 1.087 . . . . 0.0 115.817 -178.543 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -54.82 -50.06 69.5 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 119.143 1.471 . . . . 0.0 112.182 168.446 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -65.59 -43.17 90.53 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.601 0.76 . . . . 0.0 110.281 175.027 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 179.01 159.13 22.71 Favored Glycine 0 N--CA 1.476 1.303 0 CA-C-O 118.483 -1.176 . . . . 0.0 114.787 169.205 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -51.31 128.04 24.18 Favored 'Trans proline' 0 C--O 1.235 0.363 0 C-N-CA 122.895 2.396 . . . . 0.0 116.06 -169.288 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 15.1 mt -68.43 152.81 44.88 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 113.676 -1.602 . . . . 0.0 111.492 169.808 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -98.04 -29.8 13.06 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.827 1.651 . . . . 0.0 111.525 169.909 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.6 m -169.97 163.33 9.43 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 126.075 1.75 . . . . 0.0 111.11 169.245 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 62.4 t -139.9 140.6 35.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 125.794 1.637 . . . . 0.0 109.442 179.204 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 86.3 t90 -145.62 140.25 27.21 Favored 'General case' 0 N--CA 1.461 0.116 0 C-N-CA 125.335 1.454 . . . . 0.0 111.31 179.831 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -144.32 150.49 16.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 168.203 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.19 128.85 39.21 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.907 -0.495 . . . . 0.0 111.528 175.415 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 2.2 tpm_? -75.58 -27.26 58.49 Favored 'General case' 0 N--CA 1.48 1.028 0 O-C-N 121.853 -0.529 . . . . 0.0 111.36 175.581 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -62.47 146.94 92.97 Favored Pre-proline 0 CA--C 1.559 1.313 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 167.39 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_exo -47.7 -32.02 15.76 Favored 'Trans proline' 0 CA--C 1.548 1.179 0 N-CA-C 119.616 2.891 . . . . 0.0 119.616 -170.729 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_exo -46.26 103.83 0.06 OUTLIER 'Trans proline' 0 CA--C 1.544 0.981 0 C-N-CA 124.345 3.364 . . . . 0.0 115.799 173.774 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -67.81 53.07 0.36 Allowed Glycine 0 N--CA 1.473 1.119 1 C-N-CA 130.823 4.059 . . . . 0.0 115.344 178.624 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -124.08 151.95 43.26 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 127.98 2.512 . . . . 0.0 106.811 178.576 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -158.18 175.12 14.18 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 115.404 1.631 . . . . 0.0 115.404 -166.02 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -145.4 149.04 34.02 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.534 0.734 . . . . 0.0 111.403 170.794 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 28.4 m -138.68 172.25 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 O-C-N 120.802 -1.186 . . . . 0.0 112.235 172.294 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -148.14 153.0 38.25 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 124.162 0.985 . . . . 0.0 110.143 169.63 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -122.52 153.5 39.11 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.711 1.204 . . . . 0.0 112.244 -169.59 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -72.76 -17.25 61.61 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 178.631 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -146.14 126.77 7.17 Favored Pre-proline 0 CA--C 1.555 1.163 0 C-N-CA 124.477 1.111 . . . . 0.0 112.504 -173.947 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -53.41 -36.02 77.71 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 124.5 3.466 . . . . 0.0 115.41 174.864 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 23.3 ttp-105 -57.13 -48.15 79.36 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 119.235 0.925 . . . . 0.0 110.432 174.721 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -77.09 -34.84 56.84 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 119.099 -0.477 . . . . 0.0 111.275 -173.902 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.18 -45.35 93.41 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.57 0.748 . . . . 0.0 111.648 169.833 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.44 -46.09 74.13 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.708 0.803 . . . . 0.0 111.807 179.834 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -68.44 -33.2 73.78 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.654 0.661 . . . . 0.0 112.261 178.511 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.87 -57.14 13.93 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.303 0.641 . . . . 0.0 110.029 169.914 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 41.1 t -50.72 -42.83 23.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 124.396 1.078 . . . . 0.0 112.444 174.329 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 53.3 ttp85 -61.75 -31.98 72.19 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 126.115 1.766 . . . . 0.0 113.314 179.264 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -109.78 -10.56 14.78 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 124.694 1.198 . . . . 0.0 114.133 -176.215 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 53.0 mt -100.57 -34.08 10.05 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.447 1.499 . . . . 0.0 114.16 -176.863 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -67.79 142.73 56.11 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 -172.486 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 69.9 -24.73 0.41 Allowed Glycine 0 CA--C 1.538 1.497 0 N-CA-C 119.848 2.699 . . . . 0.0 119.848 169.099 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -71.88 -81.08 0.06 Allowed 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.53 1.532 . . . . 0.0 114.439 -169.323 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.8 m -179.72 141.99 0.16 Allowed 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 130.11 3.364 . . . . 0.0 107.591 -174.808 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -159.3 136.21 9.51 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 177.239 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 17.5 t 68.44 -44.59 0.51 Allowed 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 127.184 2.194 . . . . 0.0 110.731 -167.086 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 162.53 12.13 0.03 OUTLIER Glycine 0 CA--C 1.532 1.095 0 N-CA-C 117.498 1.759 . . . . 0.0 117.498 168.658 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 6.4 t -157.33 -168.37 2.58 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.377 1.588 . . . . 0.0 108.738 -176.687 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 3.9 ptt180 -30.79 118.35 0.18 Allowed 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 128.548 2.739 . . . . 0.0 113.957 175.615 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 9.1 p -129.29 148.36 33.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 C-N-CA 125.824 1.65 . . . . 0.0 110.138 171.951 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -149.26 140.31 22.97 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 126.373 1.869 . . . . 0.0 108.985 172.515 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 58.9 t -146.32 125.65 5.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -170.026 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -135.32 -179.16 5.46 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 119.307 0.958 . . . . 0.0 110.927 -173.695 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -97.84 137.04 37.3 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 120.874 -1.141 . . . . 0.0 108.288 169.825 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 84.7 p -65.03 157.67 27.77 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 -169.462 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 2.2 t30 59.58 30.31 19.93 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 124.961 1.304 . . . . 0.0 113.686 169.662 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -68.33 -3.33 31.24 Favored Glycine 0 CA--C 1.541 1.69 0 O-C-N 121.038 -1.038 . . . . 0.0 115.346 179.812 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -135.4 -30.53 1.02 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.126 1.77 . . . . 0.0 114.857 -170.617 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -67.93 140.97 56.47 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 171.075 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.908 0 C-N-CA 123.707 0.803 . . . . 0.0 110.973 -169.882 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 151' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.648 1 C3'-C2'-C1' 106.264 5.293 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 152' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.063 2 C4'-C3'-C2' 96.693 -6.007 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.193 3 N19-C1'-C2' 126.411 8.132 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.712 2 O4'-C1'-N19 117.882 9.682 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.4 tpt . . . . . 0 N--CA 1.482 1.13 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -85.18 142.19 29.63 Favored 'General case' 0 CA--C 1.548 0.882 0 O-C-N 120.604 -1.31 . . . . 0.0 111.75 179.273 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -127.21 154.98 44.15 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 127.503 2.321 . . . . 0.0 109.27 -179.015 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -105.85 162.75 13.28 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 124.857 1.263 . . . . 0.0 111.679 -179.753 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -149.21 131.59 15.64 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 126.511 1.925 . . . . 0.0 110.966 176.159 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mp -110.18 120.47 61.23 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.247 0 C-N-CA 126.257 1.823 . . . . 0.0 111.217 175.375 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.423 ' CD2' ' HA ' ' A' ' 34' ' ' ALA . 3.0 mp -97.67 60.92 1.58 Allowed 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 126.947 2.099 . . . . 0.0 111.588 -178.648 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -65.17 72.44 0.04 OUTLIER 'General case' 0 CA--C 1.551 1.018 0 O-C-N 121.084 -1.01 . . . . 0.0 113.153 174.873 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.2 22.32 7.27 Favored Glycine 0 N--CA 1.471 1.015 0 O-C-N 119.844 -1.785 . . . . 0.0 116.112 -175.905 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . 0.26 17.3 pttm 53.47 -61.26 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 130.63 3.572 . . . . 0.0 118.158 -176.571 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 36.2 m -70.93 -27.23 63.61 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.702 1.601 . . . . 0.0 110.565 176.353 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -133.31 169.75 16.45 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 128.653 2.781 . . . . 0.0 108.259 168.846 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.25 160.21 39.58 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 123.989 0.916 . . . . 0.0 112.299 169.492 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -168.76 -167.96 30.14 Favored Glycine 0 CA--C 1.532 1.134 0 N-CA-C 116.274 1.269 . . . . 0.0 116.274 169.626 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -159.54 153.76 23.66 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.966 1.706 . . . . 0.0 112.157 174.36 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.3 t -153.6 -172.18 4.14 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.138 1.375 . . . . 0.0 109.603 175.486 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.1 p -141.55 172.79 12.2 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.588 1.555 . . . . 0.0 110.501 176.154 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.5 t -158.03 148.67 20.68 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 121.222 -0.924 . . . . 0.0 111.106 178.658 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.2 tp10 -77.02 120.57 22.31 Favored 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 107.3 -1.37 . . . . 0.0 107.3 167.548 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.39 175.97 9.11 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.26 1.424 . . . . 0.0 113.087 175.671 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.482 ' H ' ' HB ' ' A' ' 25' ' ' THR . 93.7 t -78.94 -47.8 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 O-C-N 120.939 -1.101 . . . . 0.0 110.227 169.035 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 t70 178.53 -156.94 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 131.251 3.821 . . . . 0.0 105.86 178.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.77 -19.69 1.78 Allowed 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 121.158 1.799 . . . . 0.0 114.581 170.693 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.83 -9.84 32.48 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.42 1.088 . . . . 0.0 113.745 172.753 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.482 ' HB ' ' H ' ' A' ' 21' ' ' VAL . 44.6 m -140.27 -32.41 0.6 Allowed 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.917 1.687 . . . . 0.0 112.582 178.127 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.51 -37.29 82.57 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 120.852 -1.155 . . . . 0.0 110.402 174.707 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -76.23 5.03 7.53 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 178.254 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.13 18.65 3.43 Favored 'General case' 0 N--CA 1.468 0.425 0 O-C-N 120.291 -1.506 . . . . 0.0 111.874 173.336 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.1 p -121.27 -41.69 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 C-N-CA 124.423 1.089 . . . . 0.0 112.27 176.662 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -68.24 -27.05 66.02 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 124.662 1.185 . . . . 0.0 112.991 173.281 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -54.7 -32.7 59.88 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.925 1.29 . . . . 0.0 112.985 175.764 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -81.03 -48.8 11.72 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.686 0.795 . . . . 0.0 110.829 179.651 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -63.4 -40.46 97.28 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.431 1.092 . . . . 0.0 111.982 179.408 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.423 ' HA ' ' CD2' ' A' ' 7' ' ' LEU . . . -63.3 -45.17 92.62 Favored 'General case' 0 N--CA 1.452 -0.353 0 O-C-N 121.237 -0.914 . . . . 0.0 112.32 178.16 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -67.07 -18.98 65.58 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.777 1.029 . . . . 0.0 113.777 173.312 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -80.42 -31.01 37.7 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.615 1.098 . . . . 0.0 112.943 173.202 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -75.44 -36.31 60.75 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 167.938 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 110.97 0.71 28.6 Favored Glycine 0 N--CA 1.436 -1.34 0 C-N-CA 128.72 3.057 . . . . 0.0 113.916 177.08 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.7 t -77.29 144.03 12.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-N 118.627 1.214 . . . . 0.0 110.605 177.307 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -160.1 50.8 0.31 Allowed 'General case' 0 CA--C 1.553 1.067 0 CA-C-O 122.545 1.164 . . . . 0.0 113.169 170.3 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.22 -145.52 4.64 Favored Glycine 0 CA--C 1.541 1.666 0 C-N-CA 126.493 1.997 . . . . 0.0 116.482 177.767 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -64.66 94.08 0.12 Allowed 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.926 1.69 . . . . 0.0 112.345 -177.507 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 79.4 m95 -64.81 108.25 1.69 Allowed 'General case' 0 N--CA 1.466 0.326 0 O-C-N 120.166 -1.584 . . . . 0.0 109.907 178.052 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -123.53 163.42 20.98 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 126.675 1.99 . . . . 0.0 110.716 -172.41 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -154.21 166.55 32.76 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.207 1.003 . . . . 0.0 112.069 -178.939 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -144.0 162.51 36.02 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.445 1.898 . . . . 0.0 110.592 -177.44 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -130.18 -2.36 4.51 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 179.319 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.54 -28.71 37.23 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 121.621 -0.674 . . . . 0.0 110.512 170.063 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.7 p -135.4 -12.76 2.08 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 125.678 1.591 . . . . 0.0 113.212 -172.173 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? 63.82 46.72 3.84 Favored 'General case' 0 C--N 1.347 0.469 0 C-N-CA 125.821 1.648 . . . . 0.0 112.518 178.03 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 92.7 m -117.55 111.7 19.58 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.863 1.265 . . . . 0.0 111.863 -172.77 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -65.52 162.04 18.9 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.198 0.999 . . . . 0.0 110.669 168.463 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 22.1 m -147.75 159.68 43.54 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.298 1.439 . . . . 0.0 108.118 169.84 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.273 9.5 p -149.13 56.55 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 125.325 1.45 . . . . 0.0 111.815 -178.23 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.4 m -63.98 111.59 2.58 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.835 1.254 . . . . 0.0 112.62 -177.653 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -75.64 63.1 1.53 Allowed 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.225 1.41 . . . . 0.0 112.48 176.346 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 44.92 65.67 1.72 Allowed Glycine 0 CA--C 1.531 1.049 0 C-N-CA 125.985 1.755 . . . . 0.0 113.988 176.088 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.4 t -63.74 26.61 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 128.134 2.574 . . . . 0.0 117.227 -169.743 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 22.8 m80 -71.59 38.28 0.06 Allowed 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 128.061 2.544 . . . . 0.0 112.934 171.593 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -62.65 94.68 0.07 Allowed 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.437 1.495 . . . . 0.0 111.966 -175.002 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -57.46 147.26 26.97 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.905 0.882 . . . . 0.0 111.745 173.409 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -159.63 156.23 27.54 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.366 1.866 . . . . 0.0 110.039 173.527 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -156.57 174.0 16.1 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.783 0.833 . . . . 0.0 111.537 171.686 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -136.53 159.99 40.13 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.136 1.374 . . . . 0.0 110.626 171.123 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 90.6 mmm -144.57 160.52 41.01 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.8 1.64 . . . . 0.0 110.821 -179.452 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -146.72 173.54 12.27 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.652 1.581 . . . . 0.0 111.71 179.372 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -137.02 179.91 6.09 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.95 1.7 . . . . 0.0 112.299 176.712 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -138.73 175.7 9.33 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.605 1.962 . . . . 0.0 111.906 -173.333 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.3 m -149.78 47.2 0.94 Allowed 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.986 1.314 . . . . 0.0 110.785 169.643 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 54.0 t -145.56 -57.06 0.02 OUTLIER Pre-proline 0 CA--C 1.55 0.967 0 N-CA-C 114.751 1.389 . . . . 0.0 114.751 -176.786 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -70.58 31.58 0.21 Allowed 'Trans proline' 0 CA--C 1.553 1.462 0 C-N-CA 124.406 3.404 . . . . 0.0 114.432 171.299 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 96.0 mt -137.78 125.45 22.3 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 127.186 2.194 . . . . 0.0 109.746 -179.019 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -77.2 141.36 40.12 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.223 0.609 . . . . 0.0 112.567 -177.403 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 56.3 m -69.19 -19.3 63.98 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.744 1.218 . . . . 0.0 114.186 178.417 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 44.5 tptt -86.44 126.5 34.45 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.379 1.472 . . . . 0.0 107.496 168.795 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -134.72 139.36 47.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 CA-C-O 123.017 1.389 . . . . 0.0 110.96 -172.682 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.454 ' CZ ' H5'' ' B' ' 151' ' ' ' C' . 13.1 t80 -83.87 152.18 24.7 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 127.732 2.413 . . . . 0.0 110.283 176.674 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -152.9 149.24 13.58 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.181 0 N-CA-C 115.0 1.481 . . . . 0.0 115.0 176.624 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -147.36 142.51 10.31 Favored Glycine 0 CA--C 1.535 1.337 0 C-N-CA 125.871 1.7 . . . . 0.0 110.537 168.049 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -150.61 162.21 41.1 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 118.168 0.984 . . . . 0.0 113.206 -172.729 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 51.3 tp 56.31 -62.21 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 130.078 3.351 . . . . 0.0 117.149 170.189 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 173.91 -48.37 0.15 Allowed Glycine 0 N--CA 1.472 1.087 0 C-N-CA 126.63 2.062 . . . . 0.0 110.31 -179.034 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -150.73 146.35 26.37 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.126 1.77 . . . . 0.0 109.392 168.512 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -164.07 116.6 1.39 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.709 1.203 . . . . 0.0 111.017 -178.188 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -132.94 34.88 2.39 Favored Glycine 0 CA--C 1.531 1.076 0 C-N-CA 124.706 1.146 . . . . 0.0 111.921 169.813 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -122.92 -9.31 8.29 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.209 1.404 . . . . 0.0 112.691 -173.858 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.342 0.0 OUTLIER 50.29 1.43 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 119.399 3.111 . . . . 0.0 119.399 173.237 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 4.4 m -58.78 -52.28 66.39 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.205 1.402 . . . . 0.0 111.521 172.723 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.06 -55.57 33.29 Favored 'General case' 0 C--N 1.34 0.185 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 178.378 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.7 mt -48.45 -59.81 3.18 Favored 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 124.706 1.202 . . . . 0.0 110.492 -178.466 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -59.61 -42.52 92.8 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 123.678 0.791 . . . . 0.0 112.099 -171.114 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.69 -35.41 65.17 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 118.56 -0.733 . . . . 0.0 112.712 174.058 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -67.54 -44.73 77.63 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 119.483 1.038 . . . . 0.0 111.629 -176.886 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.43 ' CD1' ' CD2' ' A' ' 130' ' ' LEU . 17.5 m-85 -69.12 -61.68 1.69 Allowed 'General case' 0 CA--C 1.509 -0.622 0 C-N-CA 125.886 1.674 . . . . 0.0 111.895 173.821 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -64.52 -13.1 54.42 Favored Glycine 0 CA--C 1.547 2.072 0 CA-C-O 118.964 -0.909 . . . . 0.0 114.445 -176.161 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -56.82 -49.88 74.06 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 119.175 1.487 . . . . 0.0 110.977 167.046 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -63.74 -46.91 83.2 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.706 0.802 . . . . 0.0 109.627 172.546 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 176.21 154.57 11.8 Favored Glycine 0 CA--C 1.534 1.261 0 N-CA-C 115.427 0.931 . . . . 0.0 115.427 169.201 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -48.43 124.53 10.83 Favored 'Trans proline' 0 CA--C 1.535 0.537 0 C-N-CA 124.371 3.381 . . . . 0.0 115.903 -169.646 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 33.6 mt -67.1 152.75 45.2 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.706 1.603 . . . . 0.0 112.474 169.932 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -79.41 -39.18 33.06 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 166.632 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.2 p -173.8 168.54 4.29 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 126.136 1.774 . . . . 0.0 113.078 168.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 2.7 p -128.04 145.18 35.63 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 126.019 1.728 . . . . 0.0 110.17 171.22 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 87.9 t90 -133.97 143.26 48.06 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 126.66 1.984 . . . . 0.0 110.232 -179.497 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 12.5 m -143.47 152.72 16.43 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 124.23 1.012 . . . . 0.0 109.491 174.96 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -68.56 152.57 45.19 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-O 122.521 1.153 . . . . 0.0 114.049 -174.323 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 25.3 ttp-105 -52.2 -29.24 21.56 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 129.494 3.117 . . . . 0.0 116.906 -170.005 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -135.43 129.66 18.73 Favored Pre-proline 0 CA--C 1.547 0.828 0 CA-C-O 116.475 -1.726 . . . . 0.0 109.524 -172.739 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_exo -22.63 84.03 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 1 C-N-CA 127.929 5.753 . . . . 0.0 117.003 -169.454 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -92.94 171.66 2.17 Favored 'Trans proline' 0 N--CA 1.457 -0.65 0 C-N-CA 123.628 2.885 . . . . 0.0 112.996 -168.898 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -97.11 12.44 65.44 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 124.638 1.113 . . . . 0.0 113.979 175.749 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -162.29 -178.5 6.37 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 125.542 1.537 . . . . 0.0 112.59 -170.422 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -171.14 175.94 4.13 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 126.186 1.794 . . . . 0.0 111.902 -169.121 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -144.5 150.02 36.89 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.175 -0.953 . . . . 0.0 113.033 173.414 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 29.7 m -144.71 168.42 9.74 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 N-CA-C 115.156 1.539 . . . . 0.0 115.156 -178.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -146.96 130.61 16.9 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.233 1.413 . . . . 0.0 110.975 177.184 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -104.31 -20.85 13.63 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.05 1.34 . . . . 0.0 113.365 175.331 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 57.28 -13.51 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 128.103 2.561 . . . . 0.0 117.042 -169.757 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -100.42 132.28 22.7 Favored Pre-proline 0 CA--C 1.547 0.856 0 C-N-CA 125.732 1.613 . . . . 0.0 110.125 169.795 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -77.58 -24.64 8.76 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 122.342 2.028 . . . . 0.0 114.329 -173.145 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.61 -37.6 30.87 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 121.019 1.736 . . . . 0.0 111.156 175.883 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -55.36 -53.02 61.44 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 123.137 0.575 . . . . 0.0 109.554 172.018 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.92 -41.0 95.92 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 118.395 -0.812 . . . . 0.0 112.785 176.263 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -58.83 -45.63 89.55 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 120.614 1.552 . . . . 0.0 112.947 177.762 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -64.9 -39.45 93.55 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-O 121.885 0.85 . . . . 0.0 110.816 175.2 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -80.36 8.22 8.0 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.465 1.906 . . . . 0.0 114.52 177.232 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 13.0 t -123.09 -24.02 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 125.96 1.704 . . . . 0.0 111.248 173.187 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.79 -1.13 12.12 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 116.158 1.91 . . . . 0.0 116.158 -176.145 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -126.76 -34.67 2.38 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.966 0.907 . . . . 0.0 110.819 168.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.43 ' CD2' ' CD1' ' A' ' 94' ' ' PHE . 13.6 tp -70.53 14.88 0.11 Allowed 'General case' 0 CA--C 1.557 1.214 0 C-N-CA 126.116 1.766 . . . . 0.0 114.372 170.466 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -130.88 139.62 50.13 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 120.026 -1.671 . . . . 0.0 112.59 -169.8 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 68.93 -19.64 0.42 Allowed Glycine 0 CA--C 1.541 1.662 0 C-N-CA 127.351 2.405 . . . . 0.0 118.166 175.077 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . 0.279 2.0 ppt_? -89.3 -34.09 16.7 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 118.994 2.961 . . . . 0.0 118.994 -168.287 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 2.5 m 145.54 152.28 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 131.33 3.852 . . . . 0.0 109.437 -177.505 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . 0.258 13.4 tp -130.63 -96.02 0.36 Allowed 'General case' 0 N--CA 1.486 1.342 0 CA-C-N 119.958 1.254 . . . . 0.0 112.949 169.011 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 36.4 t -56.96 -39.17 74.08 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-N 121.339 1.881 . . . . 0.0 111.744 172.297 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 162.55 31.4 0.02 OUTLIER Glycine 0 CA--C 1.535 1.284 0 N-CA-C 115.387 0.915 . . . . 0.0 115.387 172.138 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 19.9 t -160.9 -161.72 0.86 Allowed 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 105.372 -2.084 . . . . 0.0 105.372 -176.224 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 15.0 ptt180 -41.43 141.79 0.67 Allowed 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.206 1.402 . . . . 0.0 114.688 179.811 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 5.1 p -141.22 132.09 27.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 C-N-CA 125.521 1.528 . . . . 0.0 107.006 166.607 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.61 104.07 3.58 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 -172.281 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 99.1 t -137.04 129.38 43.79 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 123.707 0.803 . . . . 0.0 109.805 -168.001 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -147.65 150.53 34.55 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 119.505 1.048 . . . . 0.0 111.68 -171.317 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.06 152.97 43.51 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 120.264 1.393 . . . . 0.0 111.466 172.76 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 67.9 m -61.96 99.71 0.13 Allowed 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 114.795 1.406 . . . . 0.0 114.795 -169.496 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -93.21 48.14 1.3 Allowed 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 126.109 1.764 . . . . 0.0 107.514 168.718 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -167.17 -133.89 1.61 Allowed Glycine 0 CA--C 1.535 1.329 0 C-N-CA 127.335 2.397 . . . . 0.0 110.703 -169.466 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -93.64 170.54 9.5 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.48 1.112 . . . . 0.0 112.698 -178.936 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -152.3 158.86 43.37 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.13 0.972 . . . . 0.0 113.294 170.29 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.163 0 C-N-CA 128.235 2.614 . . . . 0.0 110.162 -176.539 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 151' ' ' ' C' . . . . . 0.454 H5'' ' CZ ' ' A' ' 77' ' ' TYR . . . . . . . . 0 C5'--C4' 1.551 3.139 1 C3'-C2'-C1' 105.521 4.468 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' B' B ' 152' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.521 1 P-O3'-C3' 124.576 4.064 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.501 2 O5'-C5'-C4' 119.213 6.438 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' B' B ' 154' ' ' ' C' . . . . . 0.408 ' C6 ' H5'' ' B' ' 154' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.547 2.811 2 O4'-C1'-N19 113.126 4.926 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.2 mpp? . . . . . 0 N--CA 1.485 1.298 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.16 144.43 31.65 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 120.727 -1.233 . . . . 0.0 111.933 177.079 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.413 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 86.4 m-85 -126.0 155.04 42.06 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 127.698 2.399 . . . . 0.0 109.04 175.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -107.14 161.76 14.47 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.925 1.29 . . . . 0.0 111.461 -179.666 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 17.5 tp -142.47 140.55 31.93 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 126.746 2.018 . . . . 0.0 110.56 173.045 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.6 mp -120.9 113.92 41.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 125.241 1.416 . . . . 0.0 110.47 174.851 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.6 mp -86.85 67.75 9.91 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 127.721 2.408 . . . . 0.0 109.215 178.55 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 -63.47 56.15 0.02 OUTLIER 'General case' 0 CA--C 1.561 1.4 0 C-N-CA 126.563 1.945 . . . . 0.0 114.313 -179.45 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -94.75 133.92 11.77 Favored Glycine 0 N--CA 1.469 0.871 0 O-C-N 119.615 -1.928 . . . . 0.0 115.047 -179.667 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -31.03 -49.22 0.13 Allowed 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 129.049 2.939 . . . . 0.0 118.253 -171.412 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.7 p -127.31 5.75 6.35 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.323 1.449 . . . . 0.0 113.598 -169.348 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -143.64 -2.08 0.97 Allowed 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 115.358 1.614 . . . . 0.0 115.358 -171.342 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.4 148.29 0.09 Allowed 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 117.243 2.312 . . . . 0.0 117.243 -168.758 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -168.87 -157.42 11.52 Favored Glycine 0 CA--C 1.527 0.83 0 N-CA-C 116.661 1.424 . . . . 0.0 116.661 169.679 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -143.49 162.67 35.2 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.082 1.353 . . . . 0.0 111.716 -174.202 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.8 t -158.13 -177.55 6.64 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.469 1.508 . . . . 0.0 110.551 169.758 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 72.4 p -142.39 168.22 20.26 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 125.658 1.583 . . . . 0.0 110.503 173.382 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.414 HG23 ' CG1' ' A' ' 29' ' ' VAL . 5.2 t -153.36 149.37 27.76 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.336 1.054 . . . . 0.0 110.99 175.81 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.6 tp10 -78.51 118.98 21.16 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 167.614 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -138.95 176.05 9.03 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.002 1.321 . . . . 0.0 113.45 177.723 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.425 ' H ' ' HB ' ' A' ' 25' ' ' THR . 62.1 t -79.33 -48.0 21.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 O-C-N 121.2 -0.938 . . . . 0.0 110.25 169.19 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.413 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 5.2 t70 178.47 -157.3 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 131.17 3.788 . . . . 0.0 105.973 178.888 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.79 -20.26 1.22 Allowed 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 121.189 1.813 . . . . 0.0 114.306 169.821 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.75 -8.34 20.65 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.502 1.121 . . . . 0.0 113.685 172.654 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.425 ' HB ' ' H ' ' A' ' 21' ' ' VAL . 36.9 m -140.56 -35.41 0.49 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.112 1.765 . . . . 0.0 112.441 177.341 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.6 -36.87 79.26 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.416 1.486 . . . . 0.0 111.052 176.407 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -76.74 6.97 5.15 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 114.527 1.306 . . . . 0.0 114.527 179.376 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.19 13.96 3.87 Favored 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 124.972 1.309 . . . . 0.0 111.997 174.957 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.414 ' CG1' HG23 ' A' ' 18' ' ' THR . 3.2 p -120.09 -42.31 2.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 124.292 1.037 . . . . 0.0 112.545 179.745 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -64.57 -27.54 69.02 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.15 0.58 . . . . 0.0 112.053 169.7 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -62.13 -3.46 1.29 Allowed 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.435 1.494 . . . . 0.0 115.029 176.034 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -107.0 -52.68 2.73 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.114 0.966 . . . . 0.0 109.093 169.645 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -61.66 -44.87 96.14 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 123.254 0.622 . . . . 0.0 112.303 -176.09 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.31 -52.9 63.5 Favored 'General case' 0 N--CA 1.456 -0.171 0 O-C-N 121.464 -0.772 . . . . 0.0 110.979 175.522 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.47 HD21 ' CE1' ' A' ' 62' ' ' HIS . 5.1 m120 -67.37 -18.79 65.28 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.081 1.752 . . . . 0.0 112.717 -177.12 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -84.43 -32.3 24.15 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.943 1.297 . . . . 0.0 112.055 173.967 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 66.4 m-80 -72.9 -33.82 66.25 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 168.037 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 122.35 -5.95 10.06 Favored Glycine 0 N--CA 1.439 -1.136 0 C-N-CA 128.612 3.006 . . . . 0.0 113.894 171.943 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 37.6 t -69.1 148.48 11.59 Favored 'Isoleucine or valine' 0 C--N 1.342 0.251 0 CA-C-N 118.7 1.25 . . . . 0.0 112.005 175.364 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -163.43 34.35 0.09 Allowed 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 114.577 -1.192 . . . . 0.0 111.632 173.59 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -57.5 -159.17 0.02 OUTLIER Glycine 0 CA--C 1.541 1.704 0 C-N-CA 127.461 2.458 . . . . 0.0 117.976 179.732 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -65.33 88.62 0.08 Allowed 'General case' 0 CA--C 1.547 0.853 0 O-C-N 121.23 -1.159 . . . . 0.0 111.648 172.664 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 84.2 m95 -59.25 117.42 4.75 Favored 'General case' 0 C--O 1.235 0.294 0 O-C-N 120.492 -1.38 . . . . 0.0 110.024 179.926 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.01 163.07 28.4 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 126.689 1.996 . . . . 0.0 110.608 -171.848 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -153.04 164.7 37.51 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.39 1.076 . . . . 0.0 111.408 179.624 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -141.31 152.6 44.58 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.639 1.975 . . . . 0.0 110.0 -174.302 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.437 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -124.64 4.53 8.22 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 114.785 1.402 . . . . 0.0 114.785 -177.338 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -92.09 -29.87 16.31 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.862 1.265 . . . . 0.0 110.573 169.547 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -130.37 -7.83 4.22 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 -176.206 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.437 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 1.6 mmpt? 61.03 45.77 8.95 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.063 1.745 . . . . 0.0 112.681 179.232 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 63.5 m -120.47 111.84 18.22 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.912 0.885 . . . . 0.0 111.368 -172.507 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -63.9 158.13 22.99 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 122.068 0.937 . . . . 0.0 111.104 169.003 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 27.0 m -145.13 160.61 41.15 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 125.334 1.454 . . . . 0.0 107.496 170.406 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.252 7.2 p -156.23 70.14 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 CA-C-O 122.728 1.251 . . . . 0.0 109.662 -177.071 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 62.9 m -68.64 112.8 5.63 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.569 1.147 . . . . 0.0 111.274 -175.35 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -113.74 85.88 2.29 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 127.367 2.267 . . . . 0.0 111.703 -168.326 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -158.71 -42.84 0.02 OUTLIER Glycine 0 CA--C 1.536 1.391 0 C-N-CA 128.286 2.851 . . . . 0.0 109.021 172.188 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.1 p -62.79 -44.16 96.91 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 127.627 2.371 . . . . 0.0 112.384 168.679 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -124.26 61.65 1.12 Allowed 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 127.447 2.299 . . . . 0.0 108.757 170.563 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.29 145.08 33.23 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.283 0.846 . . . . 0.0 113.283 179.1 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 37.5 m80 61.9 143.27 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 130.251 3.42 . . . . 0.0 117.256 176.739 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.47 ' CE1' HD21 ' A' ' 35' ' ' ASN . 9.0 t60 -67.52 -52.9 33.52 Favored 'General case' 0 N--CA 1.466 0.355 0 O-C-N 121.422 -0.799 . . . . 0.0 111.651 171.341 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -173.08 -66.75 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.052 1.341 . . . . 0.0 110.869 172.55 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 58.81 -46.08 0.06 Allowed 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 130.178 3.391 . . . . 0.0 116.844 -179.917 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 9.9 tpt -161.74 -43.71 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 126.43 1.892 . . . . 0.0 111.282 174.741 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 45.0 t-80 -155.83 125.62 6.45 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.301 1.84 . . . . 0.0 108.596 178.915 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 33.2 ttm105 -79.75 80.48 6.14 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 121.432 -0.793 . . . . 0.0 112.813 -172.822 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -134.82 -177.67 4.73 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.688 1.595 . . . . 0.0 111.645 169.84 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.2 m -58.39 -24.65 60.61 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 114.576 1.324 . . . . 0.0 114.576 -178.815 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 37.5 t -148.85 87.95 5.32 Favored Pre-proline 0 CA--C 1.554 1.101 0 C-N-CA 125.807 1.643 . . . . 0.0 110.05 176.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -50.01 -2.99 0.05 OUTLIER 'Trans proline' 0 CA--C 1.543 0.972 1 C-N-CA 127.275 5.317 . . . . 0.0 119.861 -172.917 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 24.1 tp -70.95 54.48 0.17 Allowed 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 126.724 2.01 . . . . 0.0 112.171 171.479 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -63.28 156.3 25.99 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.669 1.588 . . . . 0.0 113.452 -178.188 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 18.8 t -118.82 -9.11 10.21 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.138 1.775 . . . . 0.0 112.685 -178.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.505 ' HZ1' ' N6 ' ' B' ' 152' ' ' ' A' . 10.0 mtmp? -62.09 147.81 46.24 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 122.825 1.297 . . . . 0.0 111.739 174.718 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 74.1 t -119.2 126.81 75.69 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 C-N-CA 128.177 2.591 . . . . 0.0 108.426 -169.531 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -79.03 152.18 31.06 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 123.444 0.698 . . . . 0.0 110.134 176.68 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -154.17 154.21 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 122.192 0.996 . . . . 0.0 112.862 170.125 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -153.56 138.12 6.12 Favored Glycine 0 CA--C 1.53 0.995 0 C-N-CA 126.474 1.987 . . . . 0.0 109.989 168.859 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -130.47 141.6 50.51 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 118.5 1.15 . . . . 0.0 111.859 -169.316 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.7 tt 56.93 -52.31 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 130.784 3.634 . . . . 0.0 114.379 -172.442 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 172.14 -52.75 0.17 Allowed Glycine 0 CA--C 1.53 0.986 0 C-N-CA 128.976 3.179 . . . . 0.0 108.619 172.364 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -144.66 84.53 1.74 Allowed 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.524 1.53 . . . . 0.0 111.441 173.683 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -130.26 -5.08 4.34 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 116.406 2.002 . . . . 0.0 116.406 173.551 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 7.75 75.91 0.01 OUTLIER Glycine 0 N--CA 1.482 1.744 0 C-N-CA 128.749 3.071 . . . . 0.0 117.801 171.611 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -143.01 129.9 20.53 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.934 1.294 . . . . 0.0 110.028 176.596 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.94 -30.19 69.43 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 115.451 1.648 . . . . 0.0 115.451 -171.762 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 7.9 m -58.08 -52.39 65.73 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 119.869 1.213 . . . . 0.0 112.36 -171.782 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.93 -58.98 6.14 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 -177.641 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.9 pp -65.76 -32.65 74.31 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 118.91 -0.567 . . . . 0.0 111.432 -173.109 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -57.33 -49.35 76.41 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 119.528 1.058 . . . . 0.0 111.948 173.821 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.09 -33.61 73.8 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 119.105 0.866 . . . . 0.0 112.272 173.839 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.32 -38.31 89.77 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.54 0.736 . . . . 0.0 112.203 -179.289 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.419 ' HB3' ' CZ ' ' A' ' 117' ' ' PHE . 14.9 m-85 -76.56 -62.35 1.66 Allowed 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 125.36 1.464 . . . . 0.0 111.412 175.949 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -52.2 -22.62 10.43 Favored Glycine 0 CA--C 1.547 2.081 0 N-CA-C 115.692 1.037 . . . . 0.0 115.692 177.287 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -51.83 -51.61 55.29 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.314 1.445 . . . . 0.0 112.956 168.29 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -69.89 -43.85 70.94 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.951 0.901 . . . . 0.0 111.18 179.482 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -170.95 162.74 35.71 Favored Glycine 0 N--CA 1.478 1.494 0 CA-C-O 118.343 -1.254 . . . . 0.0 113.259 175.248 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -67.35 132.71 28.22 Favored 'Trans proline' 0 CA--C 1.534 0.498 0 CA-C-N 121.552 2.676 . . . . 0.0 113.794 -169.534 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 16.5 mt -69.49 166.38 18.95 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.057 1.743 . . . . 0.0 113.051 175.089 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -130.15 -23.74 2.68 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 127.093 2.157 . . . . 0.0 112.495 175.596 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 11.2 t -157.21 151.65 25.21 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.05 1.34 . . . . 0.0 111.015 169.474 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 80.1 t -143.91 132.13 18.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 125.341 1.456 . . . . 0.0 109.302 173.395 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 53.7 t90 -144.56 153.17 41.54 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 126.598 1.959 . . . . 0.0 111.303 178.741 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.412 ' HA ' ' HA ' ' A' ' 113' ' ' ALA . 2.9 m -139.16 149.57 23.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 O-C-N 121.045 -1.034 . . . . 0.0 112.108 169.934 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -81.11 78.28 7.93 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.656 0.782 . . . . 0.0 112.956 -173.38 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.55 -45.63 0.38 Allowed 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 129.666 3.186 . . . . 0.0 116.548 174.466 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . 0.25 28.9 t-20 143.23 -59.82 0.0 OUTLIER Pre-proline 0 CA--C 1.549 0.914 1 C-N-CA 132.228 4.211 . . . . 0.0 111.974 173.965 . . . . . . . . 3 2 . 1 . 028 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_endo -57.39 -41.12 75.88 Favored 'Trans proline' 0 CA--C 1.548 1.194 0 C-N-CA 122.619 2.213 . . . . 0.0 115.852 -179.41 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_exo -52.73 -18.67 9.26 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 124.119 3.213 . . . . 0.0 115.912 169.52 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 81.71 -40.39 2.62 Favored Glycine 0 CA--C 1.527 0.828 0 C-N-CA 125.661 1.601 . . . . 0.0 115.969 169.515 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -77.39 171.45 14.86 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-O 123.055 1.407 . . . . 0.0 113.945 -179.375 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.412 ' HA ' ' HA ' ' A' ' 105' ' ' VAL . . . -153.63 173.41 15.82 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 127.906 2.483 . . . . 0.0 112.625 -172.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -145.0 147.71 32.94 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.705 0.802 . . . . 0.0 112.579 170.598 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.4 m -137.18 179.63 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 C-N-CA 124.626 1.171 . . . . 0.0 112.269 176.468 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -152.69 150.49 29.51 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.415 1.486 . . . . 0.0 109.078 169.854 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.419 ' CZ ' ' HB3' ' A' ' 94' ' ' PHE . 47.1 m-85 -117.46 166.64 12.1 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.42 1.088 . . . . 0.0 112.93 -176.372 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -53.31 -35.08 59.77 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.831 1.252 . . . . 0.0 112.469 172.078 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -151.98 135.4 9.43 Favored Pre-proline 0 CA--C 1.549 0.936 0 C-N-CA 124.977 1.311 . . . . 0.0 110.421 -171.637 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -47.71 -29.08 10.38 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 125.042 3.828 . . . . 0.0 115.336 170.21 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 11.2 ptt-85 -54.57 -38.98 67.32 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 119.702 1.137 . . . . 0.0 111.736 171.52 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -83.75 -41.72 17.32 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -172.562 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.97 -45.63 82.75 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.436 0.694 . . . . 0.0 112.184 169.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.31 -44.48 87.76 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.984 0.914 . . . . 0.0 112.795 178.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -74.15 -31.58 62.78 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.43 -0.794 . . . . 0.0 112.5 179.364 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.43 -55.94 25.72 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 169.246 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 35.3 t -48.26 -46.5 13.73 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 124.645 1.178 . . . . 0.0 112.053 171.552 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -51.21 -43.45 61.4 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.471 1.509 . . . . 0.0 112.597 179.429 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -113.65 2.9 15.42 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 115.641 1.719 . . . . 0.0 115.641 -176.946 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 42.7 mt -99.25 -38.3 8.93 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.448 1.499 . . . . 0.0 114.173 173.828 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -64.89 149.63 49.23 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 115.407 1.632 . . . . 0.0 115.407 -168.911 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 69.86 -56.49 0.76 Allowed Glycine 0 CA--C 1.535 1.339 0 C-N-CA 128.193 2.806 . . . . 0.0 118.278 169.218 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 46.6 mtm180 -62.13 -69.4 0.25 Allowed 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.167 1.787 . . . . 0.0 115.656 -167.794 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.2 m -175.6 147.65 0.84 Allowed 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 126.669 1.988 . . . . 0.0 109.008 -170.938 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 2.4 tt -140.67 -62.9 0.48 Allowed 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.216 1.006 . . . . 0.0 109.668 169.46 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 4.0 t -70.0 -44.08 70.09 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 119.199 0.909 . . . . 0.0 111.562 169.835 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 154.8 14.05 0.06 OUTLIER Glycine 0 CA--C 1.538 1.478 0 N-CA-C 116.434 1.334 . . . . 0.0 116.434 -176.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 8.9 t -150.45 174.12 13.28 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.744 1.618 . . . . 0.0 107.817 173.836 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.22 130.49 47.22 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.261 1.424 . . . . 0.0 111.514 -169.846 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 22.6 m -117.3 179.06 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 126.814 2.046 . . . . 0.0 112.543 -173.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -140.11 133.33 29.71 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 127.763 2.425 . . . . 0.0 108.226 173.419 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 58.4 t -147.47 122.47 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 169.212 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . 0.409 ' HG2' ' H ' ' A' ' 144' ' ' LEU . 9.4 tt0 -148.66 -162.15 1.49 Allowed 'General case' 0 N--CA 1.476 0.831 0 O-C-N 121.221 -0.924 . . . . 0.0 111.595 -169.977 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.409 ' H ' ' HG2' ' A' ' 143' ' ' GLU . 10.3 tp -118.37 146.3 44.5 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.156 1.383 . . . . 0.0 109.686 174.356 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 19.1 m -41.17 129.16 2.89 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.338 1.455 . . . . 0.0 114.853 -177.867 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -148.65 -9.82 0.35 Allowed 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 177.565 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -121.51 -169.42 13.66 Favored Glycine 0 CA--C 1.532 1.15 0 N-CA-C 118.046 1.978 . . . . 0.0 118.046 -168.946 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -167.81 -50.96 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 127.623 2.369 . . . . 0.0 110.939 -169.609 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 3.3 mmtm -140.85 18.42 2.32 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 129.098 2.959 . . . . 0.0 113.78 169.681 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.188 0 C-N-CA 126.345 1.858 . . . . 0.0 114.015 -175.29 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 151' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.026 2 O4'-C1'-N19 113.595 5.395 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 152' ' ' ' A' . . . . . 0.505 ' N6 ' ' HZ1' ' A' ' 75' ' ' LYS . . . . . . . . 0 O4'--C4' 1.419 -2.871 1 P-O3'-C3' 126.326 5.521 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.556 3.572 4 N19-C1'-C2' 125.828 7.768 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.557 3.645 4 O4'-C1'-N19 114.281 6.081 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 . . . . . 0 CA--C 1.546 0.8 0 CA-C-O 120.957 0.408 . . . . 0.0 111.929 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.418 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 96.9 m-85 -130.5 158.27 40.38 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 127.4 2.28 . . . . 0.0 109.089 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -112.26 162.65 15.27 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.158 1.383 . . . . 0.0 111.672 -176.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.501 HD11 ' HG ' ' A' ' 7' ' ' LEU . 1.5 tm? -146.8 136.77 23.36 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 126.278 1.831 . . . . 0.0 110.86 174.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mp -116.05 131.76 67.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 126.5 1.92 . . . . 0.0 110.746 173.7 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.501 ' HG ' HD11 ' A' ' 5' ' ' LEU . 2.8 mp -107.34 55.71 0.65 Allowed 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 128.183 2.593 . . . . 0.0 110.918 -176.179 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 . . . . . 0 CA--C 1.555 1.167 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 -178.94 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.467 0.409 0 N-CA-C 117.283 2.327 . . . . 0.0 117.283 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -170.11 -155.49 10.25 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 117.484 1.754 . . . . 0.0 117.484 169.514 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -156.44 158.78 37.88 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 126.481 1.912 . . . . 0.0 112.133 177.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.0 t -156.73 -175.49 5.46 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.908 1.683 . . . . 0.0 110.092 177.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 61.9 p -142.76 170.72 15.17 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 125.804 1.642 . . . . 0.0 110.739 176.686 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.8 t -157.23 152.73 26.52 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.814 0.846 . . . . 0.0 111.584 172.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.7 tp10 -76.29 122.21 24.08 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 107.0 -1.481 . . . . 0.0 107.0 166.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.22 178.13 7.41 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.461 1.504 . . . . 0.0 112.02 174.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.9 p -84.44 -39.91 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 O-C-N 120.989 -1.07 . . . . 0.0 110.807 169.322 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.418 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 3.2 p30 178.19 -163.69 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 129.86 3.264 . . . . 0.0 108.054 -179.518 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.32 -27.19 0.97 Allowed 'General case' 0 CA--C 1.553 1.091 0 N-CA-C 114.093 1.145 . . . . 0.0 114.093 170.695 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.77 -5.41 20.52 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.688 1.595 . . . . 0.0 113.88 178.453 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.9 m -134.09 -35.38 0.95 Allowed 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 125.079 1.352 . . . . 0.0 112.277 173.274 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.26 -37.99 89.44 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.775 0.83 . . . . 0.0 110.861 175.043 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -74.63 4.9 5.43 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 178.511 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.44 18.53 3.97 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 120.298 -1.501 . . . . 0.0 111.788 174.462 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.7 t -119.59 -52.14 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 125.344 1.457 . . . . 0.0 110.01 177.634 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -61.4 -27.12 68.31 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 123.767 0.827 . . . . 0.0 113.171 176.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -55.76 -30.43 61.24 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.642 1.177 . . . . 0.0 112.975 175.136 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -81.16 -53.81 6.06 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.291 0.637 . . . . 0.0 109.932 177.1 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -59.92 -41.7 92.32 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.336 1.054 . . . . 0.0 112.372 -177.026 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.78 -49.45 77.67 Favored 'General case' 0 N--CA 1.452 -0.354 0 O-C-N 121.384 -0.823 . . . . 0.0 111.724 176.129 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -65.29 -22.24 66.82 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 174.005 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -77.44 -29.43 52.88 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.67 1.123 . . . . 0.0 112.626 174.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 -78.17 -41.57 34.28 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 168.045 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 125.67 -1.84 8.05 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 129.016 3.198 . . . . 0.0 114.556 171.541 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 41.3 t -73.61 146.0 10.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 CA-C-N 118.925 1.363 . . . . 0.0 110.865 176.395 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -161.61 53.71 0.25 Allowed 'General case' 0 CA--C 1.55 0.96 0 CA-C-O 121.78 0.8 . . . . 0.0 112.663 169.411 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.404 ' H ' HG22 ' A' ' 54' ' ' VAL . . . -92.08 -137.72 7.9 Favored Glycine 0 CA--C 1.541 1.672 0 C-N-CA 125.627 1.584 . . . . 0.0 115.451 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -69.86 93.68 0.77 Allowed 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.724 1.21 . . . . 0.0 113.002 -172.23 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 84.5 m95 -64.74 113.74 3.98 Favored 'General case' 0 C--O 1.235 0.315 0 O-C-N 120.158 -1.589 . . . . 0.0 110.7 178.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.88 163.67 25.83 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 125.982 1.713 . . . . 0.0 111.27 -172.213 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -147.21 147.01 30.03 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.389 1.475 . . . . 0.0 110.161 175.29 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -112.25 121.21 44.27 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 124.288 1.035 . . . . 0.0 108.93 171.138 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.7 0.59 42.68 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 115.343 1.609 . . . . 0.0 115.343 -173.608 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -111.98 -29.2 7.72 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.183 1.393 . . . . 0.0 112.607 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.2 t -113.65 3.35 15.6 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.74 0.816 . . . . 0.0 112.488 173.266 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? 54.65 40.43 31.88 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 126.076 1.75 . . . . 0.0 112.527 169.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.8 m -121.77 114.42 21.07 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 125.718 1.607 . . . . 0.0 109.167 -170.123 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -68.03 162.41 24.58 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 122.249 1.024 . . . . 0.0 111.271 169.583 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.7 m -145.67 157.77 43.92 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 124.713 1.205 . . . . 0.0 108.043 169.59 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.404 HG22 ' H ' ' A' ' 41' ' ' GLY . 9.1 p -147.67 72.83 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 126.273 1.829 . . . . 0.0 109.486 177.526 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.9 m . . . . . 0 N--CA 1.473 0.699 0 O-C-N 121.305 -0.872 . . . . 0.0 110.202 179.331 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.1 mppt? . . . . . 0 N--CA 1.475 0.803 0 CA-C-O 121.965 0.888 . . . . 0.0 111.805 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.61 ' HB ' HG13 ' A' ' 115' ' ' VAL . 14.4 t -138.68 158.28 30.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 126.685 1.994 . . . . 0.0 109.706 -169.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -122.88 144.61 49.1 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 128.123 2.569 . . . . 0.0 110.225 178.521 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.425 HG13 ' HB3' ' A' ' 113' ' ' ALA . 2.0 p -143.61 134.14 21.78 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-O 121.373 0.606 . . . . 0.0 110.739 169.297 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.944 0 N-CA-C 115.47 0.948 . . . . 0.0 115.47 173.648 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.253 19.0 pttp . . . . . 0 N--CA 1.483 1.191 0 N-CA-C 119.085 2.995 . . . . 0.0 119.085 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 22.1 m -50.09 -47.65 53.64 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 126.555 1.942 . . . . 0.0 113.946 -169.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.72 -57.62 9.4 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 -178.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.406 HD12 ' N ' ' A' ' 91' ' ' GLU . 3.8 pp -64.51 -32.36 73.96 Favored 'General case' 0 C--O 1.22 -0.476 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.335 -176.385 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.406 ' N ' HD12 ' A' ' 90' ' ' LEU . 36.7 tt0 -64.73 -48.63 73.93 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 125.521 1.529 . . . . 0.0 111.284 178.389 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.44 -31.96 70.6 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 118.536 -0.745 . . . . 0.0 112.378 172.246 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.09 -46.85 87.24 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 119.187 0.903 . . . . 0.0 111.464 175.147 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.648 ' CZ ' HG11 ' A' ' 115' ' ' VAL . 15.0 m-85 -62.95 -63.24 1.26 Allowed 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 125.038 1.335 . . . . 0.0 111.411 174.212 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -58.08 -20.25 41.58 Favored Glycine 0 CA--C 1.546 2.024 0 N-CA-C 115.917 1.127 . . . . 0.0 115.917 -179.379 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -57.69 -50.75 72.16 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 119.295 1.547 . . . . 0.0 112.976 169.277 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -63.17 -37.99 89.4 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 118.822 0.737 . . . . 0.0 110.07 174.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 174.74 160.84 23.49 Favored Glycine 0 N--CA 1.473 1.147 0 CA-C-O 118.577 -1.124 . . . . 0.0 114.625 168.556 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -54.22 127.67 26.77 Favored 'Trans proline' 0 CA--C 1.536 0.61 0 CA-C-N 121.133 2.466 . . . . 0.0 117.113 -169.251 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.418 ' HA ' ' HA ' ' A' ' 117' ' ' PHE . 21.3 mt -67.4 169.21 9.37 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.785 2.034 . . . . 0.0 113.243 169.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -123.78 -37.55 2.6 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.756 2.022 . . . . 0.0 111.25 169.433 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 9.0 t -154.6 157.26 37.95 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.73 1.212 . . . . 0.0 111.594 174.356 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 78.6 t -144.71 142.22 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 125.614 1.566 . . . . 0.0 108.829 176.211 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 81.5 t90 -138.77 145.01 39.67 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 125.703 1.601 . . . . 0.0 110.365 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 14.2 m -141.06 153.02 20.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 C-N-CA 124.416 1.087 . . . . 0.0 108.361 170.077 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.552 1.057 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -169.949 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.544 0.713 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.425 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -164.25 175.24 10.29 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.341 1.056 . . . . 0.0 112.801 -167.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -135.01 164.14 28.3 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-O 122.074 0.94 . . . . 0.0 112.835 175.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.648 HG11 ' CZ ' ' A' ' 94' ' ' PHE . 0.2 OUTLIER -153.91 155.45 6.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 124.502 1.121 . . . . 0.0 110.785 -169.198 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -143.28 128.57 18.83 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.569 1.548 . . . . 0.0 109.498 169.581 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.418 ' HA ' ' HA ' ' A' ' 100' ' ' LEU . 53.0 m-85 -97.58 173.56 7.08 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.212 1.005 . . . . 0.0 112.72 176.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -90.12 -55.0 3.78 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 120.977 -1.077 . . . . 0.0 112.491 176.544 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -87.5 130.72 46.31 Favored Pre-proline 0 CA--C 1.547 0.845 0 C-N-CA 124.4 1.08 . . . . 0.0 109.026 170.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -61.72 -22.16 73.77 Favored 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 121.889 1.726 . . . . 0.0 112.56 175.48 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.9 -27.04 62.58 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.597 1.159 . . . . 0.0 113.009 171.469 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -66.88 -46.9 73.52 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 119.683 1.129 . . . . 0.0 110.315 169.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.37 -44.96 89.07 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 122.752 0.421 . . . . 0.0 111.945 172.349 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.28 -49.39 77.22 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 118.645 0.657 . . . . 0.0 112.603 178.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.22 -42.91 99.42 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 118.78 0.718 . . . . 0.0 111.642 177.148 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.88 -55.33 34.31 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.254 0.622 . . . . 0.0 110.416 177.517 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 41.5 t -52.49 -41.02 35.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 124.733 1.213 . . . . 0.0 111.898 175.399 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.68 -20.56 61.92 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 114.968 1.47 . . . . 0.0 114.968 -179.358 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -127.75 16.2 6.92 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 115.343 1.608 . . . . 0.0 115.343 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 24.0 mt -112.09 -8.11 14.04 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.176 1.791 . . . . 0.0 113.94 172.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -93.17 151.53 19.78 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 117.19 2.292 . . . . 0.0 117.19 -168.052 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 57.56 22.09 44.57 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 127.077 2.275 . . . . 0.0 118.406 168.552 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 19.8 mtm180 -128.42 -72.81 0.6 Allowed 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.357 1.579 . . . . 0.0 114.724 -169.388 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 5.6 m 165.19 145.53 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 130.301 3.44 . . . . 0.0 107.853 -169.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -144.19 -65.03 0.36 Allowed 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 118.18 0.446 . . . . 0.0 110.81 168.338 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 18.7 t -84.72 -46.42 11.46 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 118.253 0.479 . . . . 0.0 110.657 170.313 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 170.29 48.05 0.03 OUTLIER Glycine 0 CA--C 1.532 1.151 0 N-CA-C 115.745 1.058 . . . . 0.0 115.745 173.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 5.9 t -153.42 -133.78 0.05 OUTLIER 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 124.197 0.999 . . . . 0.0 111.505 -174.246 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 18.5 mtm-85 -126.13 -3.86 6.89 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 115.939 1.829 . . . . 0.0 115.939 -170.426 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 6.1 m 34.13 80.63 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 130.555 3.542 . . . . 0.0 117.145 172.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -76.37 123.82 26.57 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 105.963 -1.866 . . . . 0.0 105.963 166.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 96.7 t -137.43 122.8 25.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 -171.063 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -142.75 167.78 21.27 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.464 0.705 . . . . 0.0 110.706 -169.276 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 4.2 pp -69.95 147.8 49.74 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 120.302 -1.499 . . . . 0.0 108.551 167.656 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.5 t . . . . . 0 N--CA 1.469 0.513 0 O-C-N 121.777 -0.577 . . . . 0.0 111.046 -179.777 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 . . . . . 0 CA--C 1.544 0.727 0 CA-C-O 121.014 0.435 . . . . 0.0 111.647 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.443 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 89.8 m-85 -128.7 156.57 43.28 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 127.347 2.259 . . . . 0.0 108.759 -178.687 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -110.7 161.55 15.65 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.903 1.281 . . . . 0.0 111.414 -178.13 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.467 HD11 ' HG ' ' A' ' 7' ' ' LEU . 1.5 tm? -146.03 135.45 23.01 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 126.097 1.759 . . . . 0.0 110.572 175.191 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mp -111.62 129.04 67.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 126.218 1.807 . . . . 0.0 110.458 172.257 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.467 ' HG ' HD11 ' A' ' 5' ' ' LEU . 2.4 mp -102.63 65.06 0.9 Allowed 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 128.005 2.522 . . . . 0.0 109.651 178.809 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 . . . . . 0 CA--C 1.555 1.147 0 C-N-CA 124.108 0.963 . . . . 0.0 112.46 172.088 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.469 0.515 0 N-CA-C 116.851 2.167 . . . . 0.0 116.851 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -168.4 -157.54 11.4 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 117.7 1.84 . . . . 0.0 117.7 169.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -157.84 157.88 34.1 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.448 1.899 . . . . 0.0 112.075 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.3 t -156.8 -174.77 5.08 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.921 1.688 . . . . 0.0 110.1 177.517 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 64.0 p -141.53 170.19 16.18 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 125.84 1.656 . . . . 0.0 110.899 176.008 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.3 t -156.45 154.82 31.03 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.833 0.853 . . . . 0.0 111.432 171.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -80.66 117.08 21.04 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 168.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -134.82 177.13 8.03 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.627 1.571 . . . . 0.0 112.645 179.002 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 52.3 t -85.95 -39.07 13.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 O-C-N 121.294 -0.879 . . . . 0.0 111.741 170.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.443 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 2.9 t70 175.95 -156.05 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 131.14 3.776 . . . . 0.0 106.679 172.26 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.19 -21.97 2.34 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 120.402 1.455 . . . . 0.0 114.325 169.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.39 -7.81 21.63 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.788 1.235 . . . . 0.0 113.589 173.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 22.1 m -138.02 -35.72 0.62 Allowed 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.579 1.552 . . . . 0.0 112.62 176.313 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.24 -39.54 92.85 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.362 1.065 . . . . 0.0 110.511 175.563 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -76.87 8.82 3.36 Favored 'General case' 0 CA--C 1.553 1.068 0 N-CA-C 114.435 1.272 . . . . 0.0 114.435 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.404 ' O ' ' HE3' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -132.33 17.63 4.46 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.966 1.706 . . . . 0.0 112.482 170.124 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.8 t -118.36 -48.4 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 124.752 1.221 . . . . 0.0 109.418 172.149 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -63.22 -29.23 70.61 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 178.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -61.66 -31.24 71.34 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.521 0.728 . . . . 0.0 112.675 176.046 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -84.74 -44.93 12.9 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.55 1.14 . . . . 0.0 110.159 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -63.02 -42.86 99.9 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.63 0.772 . . . . 0.0 111.989 177.577 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.76 -47.45 80.95 Favored 'General case' 0 N--CA 1.453 -0.302 0 O-C-N 121.318 -0.864 . . . . 0.0 112.053 -178.588 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -64.28 -23.13 67.19 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 174.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -79.04 -28.76 43.26 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.248 0.931 . . . . 0.0 113.135 175.673 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -77.97 -40.97 37.62 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 167.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 125.64 -0.41 7.95 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 128.439 2.923 . . . . 0.0 114.988 169.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.4 t -77.96 141.9 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-N 118.799 1.299 . . . . 0.0 109.908 175.2 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -161.61 60.7 0.26 Allowed 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 122.378 1.085 . . . . 0.0 113.046 169.238 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.427 ' H ' HG22 ' A' ' 54' ' ' VAL . . . -92.04 -147.65 20.99 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 125.163 1.363 . . . . 0.0 115.54 177.445 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -65.47 117.48 8.03 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.695 0.798 . . . . 0.0 111.011 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 77.8 m95 -81.64 130.63 35.12 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.916 0.865 . . . . 0.0 110.592 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -136.03 159.18 42.49 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 126.594 1.958 . . . . 0.0 110.105 -173.474 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -156.29 165.95 34.86 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.389 1.476 . . . . 0.0 110.701 -178.28 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -141.97 165.56 27.12 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.623 1.169 . . . . 0.0 112.18 176.2 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.454 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -125.18 0.31 7.8 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 115.122 1.527 . . . . 0.0 115.122 -179.592 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -94.01 -31.21 14.33 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.011 1.325 . . . . 0.0 111.367 170.059 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.1 t -129.73 2.43 4.94 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.611 1.164 . . . . 0.0 113.728 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.454 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 3.0 mmpt? 51.57 41.05 28.35 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 125.044 1.338 . . . . 0.0 113.612 168.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 45.2 m -118.02 111.6 19.16 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 125.815 1.646 . . . . 0.0 109.119 -170.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -67.42 162.97 21.89 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 122.196 0.998 . . . . 0.0 111.316 169.349 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.2 m -146.59 153.24 40.11 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 124.822 1.249 . . . . 0.0 108.139 169.651 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.427 HG22 ' H ' ' A' ' 41' ' ' GLY . 13.1 p -138.24 107.58 4.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 126.1 1.76 . . . . 0.0 108.403 171.559 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 87.0 m . . . . . 0 N--CA 1.477 0.89 0 C-N-CA 123.776 0.83 . . . . 0.0 110.689 -173.195 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 48.1 mttp . . . . . 0 N--CA 1.472 0.648 0 CA-C-O 121.264 0.554 . . . . 0.0 111.569 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.447 HG13 HG13 ' A' ' 115' ' ' VAL . 0.2 OUTLIER -133.51 147.14 31.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 C-N-CA 125.874 1.67 . . . . 0.0 109.858 179.213 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -87.18 149.86 24.34 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 127.372 2.269 . . . . 0.0 109.796 177.658 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.1 p -148.79 115.58 0.86 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.312 0 CA-C-N 118.84 0.745 . . . . 0.0 110.731 169.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.142 0 N-CA-C 117.72 1.848 . . . . 0.0 117.72 -171.507 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.5 ptmm? . . . . . 0 N--CA 1.473 0.712 0 N-CA-C 116.208 1.929 . . . . 0.0 116.208 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 5.5 m -58.0 -52.17 66.61 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 120.629 1.559 . . . . 0.0 111.175 175.378 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.87 -49.5 77.21 Favored 'General case' 0 C--N 1.339 0.135 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 176.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 59.8 mt -54.39 -55.77 25.3 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-O 121.737 0.779 . . . . 0.0 111.219 -175.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -60.32 -42.57 95.87 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 125.277 1.431 . . . . 0.0 112.01 -174.045 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.39 -37.05 66.11 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 119.192 0.906 . . . . 0.0 113.231 171.247 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.97 -46.33 85.1 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 119.242 0.928 . . . . 0.0 110.774 -176.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.424 ' HB3' ' CZ ' ' A' ' 117' ' ' PHE . 11.9 m-85 -63.68 -62.96 1.32 Allowed 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 125.477 1.511 . . . . 0.0 112.084 173.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.82 -19.8 56.18 Favored Glycine 0 CA--C 1.542 1.765 0 N-CA-C 115.289 0.876 . . . . 0.0 115.289 -175.556 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -54.98 -49.63 70.97 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.119 1.368 . . . . 0.0 112.406 168.69 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -71.01 -40.96 71.5 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.741 0.816 . . . . 0.0 111.183 178.22 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -173.72 161.69 32.29 Favored Glycine 0 N--CA 1.478 1.464 0 CA-C-O 118.8 -1.0 . . . . 0.0 114.279 169.645 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -64.25 140.71 72.17 Favored 'Trans proline' 0 CA--C 1.536 0.575 0 CA-C-N 120.81 2.305 . . . . 0.0 115.74 -168.217 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 15.7 mt -89.72 160.35 16.62 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 127.164 2.186 . . . . 0.0 113.21 -177.161 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -112.82 -37.66 4.78 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.928 1.691 . . . . 0.0 111.705 169.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 9.8 t -160.21 158.54 30.2 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.121 1.369 . . . . 0.0 112.107 172.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 58.7 t -141.88 143.84 26.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 125.988 1.715 . . . . 0.0 107.907 169.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 80.5 t90 -145.54 149.25 34.26 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 124.898 1.279 . . . . 0.0 111.004 -173.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.422 HG12 ' HB1' ' A' ' 113' ' ' ALA . 4.3 m -141.32 149.98 20.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.104 0.962 . . . . 0.0 109.035 173.09 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.514 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -169.356 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.547 0.852 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.422 ' HB1' HG12 ' A' ' 105' ' ' VAL . . . -163.24 -179.55 6.69 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 -166.668 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -144.49 166.34 25.42 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.447 HG13 HG13 ' A' ' 76' ' ' VAL . 1.4 p -151.17 155.54 7.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 126.247 1.819 . . . . 0.0 111.086 -176.624 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 68.2 tt0 -140.49 120.15 13.34 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.272 1.429 . . . . 0.0 108.8 168.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.424 ' CZ ' ' HB3' ' A' ' 94' ' ' PHE . 33.3 m-85 -88.19 171.49 10.18 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 123.788 0.835 . . . . 0.0 112.238 177.13 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -80.16 -20.5 44.73 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 170.618 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -144.71 127.8 8.51 Favored Pre-proline 0 CA--C 1.551 0.995 0 C-N-CA 124.006 0.923 . . . . 0.0 111.99 -169.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_exo -56.11 -34.06 91.82 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 123.82 3.014 . . . . 0.0 114.89 177.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 22.5 ttp-105 -58.09 -47.88 81.87 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 119.104 0.865 . . . . 0.0 110.524 175.057 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -76.22 -34.87 59.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.183 -174.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.15 -42.65 95.33 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 122.943 0.497 . . . . 0.0 111.552 169.474 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -68.21 -44.61 75.39 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.761 0.824 . . . . 0.0 112.456 179.207 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -68.73 -34.2 75.21 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.416 -0.803 . . . . 0.0 112.261 176.461 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.37 -53.39 57.27 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 118.487 -0.768 . . . . 0.0 110.423 169.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 12.4 t -49.13 -48.2 17.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 C-N-CA 124.794 1.238 . . . . 0.0 111.874 172.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 19.7 ttp85 -57.85 -29.16 64.76 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.933 1.693 . . . . 0.0 113.203 177.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -114.35 16.67 17.81 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.395 1.478 . . . . 0.0 113.296 179.3 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 56.5 mt -133.73 -28.6 1.4 Allowed 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.295 1.038 . . . . 0.0 113.678 -178.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -67.6 128.4 36.3 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 120.076 1.307 . . . . 0.0 111.938 173.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 72.83 -39.02 0.77 Allowed Glycine 0 CA--C 1.535 1.329 0 C-N-CA 127.015 2.245 . . . . 0.0 116.68 171.54 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.88 6.47 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 130.129 3.371 . . . . 0.0 118.368 -172.622 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 90.1 m 65.42 134.12 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 128.559 2.744 . . . . 0.0 114.708 -175.269 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 10.3 tp -164.66 144.51 7.39 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 130.438 3.495 . . . . 0.0 102.534 -179.155 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 34.6 m 60.93 -57.09 0.09 Allowed 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.18 1.392 . . . . 0.0 113.211 -169.064 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 158.76 33.82 0.02 OUTLIER Glycine 0 CA--C 1.532 1.15 0 N-CA-C 118.37 2.108 . . . . 0.0 118.37 167.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 4.2 t -146.74 -155.72 0.65 Allowed 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 119.206 1.503 . . . . 0.0 112.331 -177.688 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -100.54 94.2 6.01 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 106.474 -1.676 . . . . 0.0 106.474 172.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 2.0 t -68.32 136.84 25.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 C-N-CA 125.108 1.363 . . . . 0.0 107.772 -173.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -108.55 96.7 6.52 Favored 'General case' 0 CA--C 1.511 -0.538 0 C-N-CA 124.322 1.049 . . . . 0.0 108.429 172.156 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 17.7 t -115.07 108.45 25.43 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 N-CA-C 106.703 -1.591 . . . . 0.0 106.703 -173.744 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -141.11 145.87 36.35 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 122.069 -0.394 . . . . 0.0 111.476 -167.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -60.08 130.79 48.46 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 120.217 -1.552 . . . . 0.0 109.246 173.267 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 32.5 t . . . . . 0 CA--C 1.533 0.314 0 CA-C-O 121.398 0.618 . . . . 0.0 111.963 -169.863 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . 0.258 20.2 tt0 . . . . . 0 CA--C 1.543 0.708 0 N-CA-C 114.501 1.297 . . . . 0.0 114.501 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -129.37 151.94 49.47 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 126.814 2.046 . . . . 0.0 108.323 -177.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -106.66 163.73 12.66 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.995 1.318 . . . . 0.0 111.174 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.667 HD22 ' HB3' ' A' ' 30' ' ' PHE . 15.9 tp -142.77 140.58 31.45 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 126.824 2.05 . . . . 0.0 110.759 173.213 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.4 mp -119.15 111.84 35.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 126.408 1.883 . . . . 0.0 108.92 173.497 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.593 HD21 HD21 ' A' ' 5' ' ' LEU . 68.9 mt -82.31 66.59 7.97 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 126.67 1.988 . . . . 0.0 111.549 172.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.428 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 41.1 t30 . . . . . 0 CA--C 1.55 0.959 0 N-CA-C 115.263 1.579 . . . . 0.0 115.263 -178.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.468 0.437 0 N-CA-C 117.262 2.319 . . . . 0.0 117.262 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.89 -161.11 16.83 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 116.648 1.419 . . . . 0.0 116.648 169.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -143.15 163.5 32.72 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.1 0.96 . . . . 0.0 112.551 -170.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.7 t -159.33 -177.39 6.41 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.568 1.547 . . . . 0.0 110.541 169.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 77.1 p -141.95 170.45 15.7 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 126.098 1.759 . . . . 0.0 110.347 173.467 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.662 HG21 HG11 ' A' ' 29' ' ' VAL . 5.3 t -157.59 151.36 24.12 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.154 0.982 . . . . 0.0 110.655 176.522 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -81.1 123.03 28.06 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 107.061 -1.459 . . . . 0.0 107.061 167.158 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.404 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -139.8 173.53 11.44 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.245 1.418 . . . . 0.0 112.272 178.678 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 97.0 t -78.03 -47.23 25.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 O-C-N 121.995 -0.44 . . . . 0.0 110.379 169.39 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.5 t70 178.75 -156.75 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 130.413 3.485 . . . . 0.0 106.236 178.512 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.52 -19.86 1.64 Allowed 'General case' 0 CA--C 1.547 0.831 0 O-C-N 120.011 -1.681 . . . . 0.0 114.535 169.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.22 -10.4 31.47 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.252 1.021 . . . . 0.0 113.654 172.516 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.404 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 53.7 m -137.5 -36.01 0.65 Allowed 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 126.105 1.762 . . . . 0.0 112.236 178.271 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.442 ' HA ' HG12 ' A' ' 29' ' ' VAL . . . -68.18 -34.91 77.16 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.988 1.315 . . . . 0.0 111.09 176.783 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -78.03 6.65 7.44 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 177.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.68 18.27 3.31 Favored 'General case' 0 N--CA 1.466 0.357 0 O-C-N 120.503 -1.373 . . . . 0.0 112.202 175.577 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.662 HG11 HG21 ' A' ' 18' ' ' THR . 6.1 p -123.77 -40.73 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 124.532 1.133 . . . . 0.0 111.941 177.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.667 ' HB3' HD22 ' A' ' 5' ' ' LEU . 22.7 m-85 -68.46 -27.5 66.22 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 123.887 0.875 . . . . 0.0 113.031 173.173 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -54.8 -29.01 53.49 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.394 1.478 . . . . 0.0 113.256 176.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -81.06 -53.12 6.69 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.503 0.721 . . . . 0.0 109.922 178.256 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -60.19 -42.48 95.17 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.26 1.024 . . . . 0.0 112.675 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.95 -52.03 67.19 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 123.803 0.841 . . . . 0.0 111.798 178.071 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -68.76 -17.64 64.07 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -85.02 -30.39 24.19 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.878 0.871 . . . . 0.0 112.828 175.4 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 56.4 m-80 -76.29 -38.34 56.25 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 168.076 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 123.88 -0.69 9.2 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 128.288 2.851 . . . . 0.0 115.126 169.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.3 t -75.16 147.13 8.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 CA-C-N 118.502 1.151 . . . . 0.0 110.599 175.415 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -164.3 73.42 0.26 Allowed 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 122.413 1.101 . . . . 0.0 111.935 168.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.58 ' H ' HG22 ' A' ' 54' ' ' VAL . . . -111.84 -140.36 8.07 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 125.218 1.389 . . . . 0.0 116.323 -177.265 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -73.93 90.11 1.92 Allowed 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.109 1.364 . . . . 0.0 112.166 -173.678 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 92.1 m95 -63.88 110.99 2.28 Favored 'General case' 0 C--O 1.235 0.295 0 O-C-N 120.767 -1.208 . . . . 0.0 109.875 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 60.4 m -132.56 163.09 29.64 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 127.851 2.461 . . . . 0.0 109.048 -168.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -157.59 167.41 30.22 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.113 1.365 . . . . 0.0 111.174 -169.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -139.89 163.82 31.62 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.879 1.272 . . . . 0.0 111.608 174.561 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.439 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -124.73 2.71 8.2 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 114.87 1.433 . . . . 0.0 114.87 -178.523 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -98.36 -31.14 12.18 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.378 1.471 . . . . 0.0 111.435 170.287 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.6 t -127.43 0.85 6.29 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.404 1.081 . . . . 0.0 113.744 178.103 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.439 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 2.9 mmpt? 52.29 42.4 30.9 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.035 1.334 . . . . 0.0 113.421 168.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.7 m -119.49 112.93 19.99 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 126.08 1.752 . . . . 0.0 109.164 -171.472 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -65.32 159.88 22.97 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.194 0.998 . . . . 0.0 111.487 169.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 36.3 m -146.49 150.72 36.13 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 125.508 1.523 . . . . 0.0 108.001 169.567 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.58 HG22 ' H ' ' A' ' 41' ' ' GLY . 11.1 p -142.47 79.18 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 125.336 1.454 . . . . 0.0 109.732 177.82 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.428 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 10.3 m . . . . . 0 N--CA 1.468 0.431 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.51 177.224 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 61.7 mttm . . . . . 0 N--CA 1.474 0.765 0 CA-C-O 121.419 0.628 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -139.72 146.79 24.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 125.171 1.388 . . . . 0.0 110.565 -179.411 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -102.57 150.56 23.29 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 126.947 2.099 . . . . 0.0 111.08 -173.664 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.551 HG13 ' HB3' ' A' ' 113' ' ' ALA . 0.7 OUTLIER -147.0 125.98 4.3 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.193 0 O-C-N 122.203 -0.31 . . . . 0.0 110.301 169.543 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.467 ' HA2' ' HA ' ' A' ' 112' ' ' PHE . . . . . . . . 0 N--CA 1.469 0.9 0 N-CA-C 115.97 1.148 . . . . 0.0 115.97 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.5 ptmm? . . . . . 0 C--O 1.22 -0.456 0 N-CA-C 115.508 1.67 . . . . 0.0 115.508 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 21.4 m -46.34 -57.08 4.94 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 115.785 1.772 . . . . 0.0 115.785 -168.47 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -78.25 -40.86 35.9 Favored 'General case' 0 CA--C 1.531 0.224 0 O-C-N 121.066 -1.021 . . . . 0.0 111.512 -175.477 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.414 HD12 ' N ' ' A' ' 91' ' ' GLU . 3.3 pp -63.77 -32.13 73.54 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.638 1.108 . . . . 0.0 111.847 176.478 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.414 ' N ' HD12 ' A' ' 90' ' ' LEU . 27.5 tt0 -62.6 -46.5 87.99 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 125.165 1.386 . . . . 0.0 111.588 174.394 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -34.84 78.79 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 119.259 0.936 . . . . 0.0 112.518 169.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.34 -48.07 81.46 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 119.306 0.957 . . . . 0.0 111.403 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.562 ' CD2' HG11 ' A' ' 115' ' ' VAL . 19.3 m-85 -64.02 -62.9 1.33 Allowed 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 125.299 1.439 . . . . 0.0 111.61 173.443 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -55.73 -22.7 34.12 Favored Glycine 0 CA--C 1.547 2.033 0 N-CA-C 115.781 1.072 . . . . 0.0 115.781 -178.248 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -55.44 -52.37 63.83 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.708 1.603 . . . . 0.0 112.992 169.276 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -68.64 -40.38 80.3 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.659 0.784 . . . . 0.0 111.198 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -170.22 162.94 36.24 Favored Glycine 0 N--CA 1.477 1.387 0 CA-C-O 118.659 -1.078 . . . . 0.0 113.382 169.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -70.63 134.61 26.53 Favored 'Trans proline' 0 CA--C 1.534 0.501 0 CA-C-N 121.143 2.471 . . . . 0.0 114.51 -169.153 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.532 HD13 ' CG2' ' A' ' 103' ' ' VAL . 22.8 mt -80.46 153.16 28.37 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.535 1.934 . . . . 0.0 112.985 176.473 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -94.68 -43.01 8.47 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 126.403 1.881 . . . . 0.0 110.384 168.361 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 10.7 t -158.24 157.24 32.21 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.157 0.983 . . . . 0.0 111.972 -178.614 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.532 ' CG2' HD13 ' A' ' 100' ' ' LEU . 98.0 t -142.58 136.94 28.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 126.078 1.751 . . . . 0.0 109.213 178.249 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 86.2 t90 -142.8 146.42 34.2 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 125.4 1.48 . . . . 0.0 111.674 -178.126 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.415 HG12 ' HB1' ' A' ' 113' ' ' ALA . 3.5 m -143.39 149.97 17.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 124.427 1.091 . . . . 0.0 108.101 169.161 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.653 0 O-C-N 121.66 -0.65 . . . . 0.0 112.507 -179.428 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.467 ' HA ' ' HA2' ' A' ' 79' ' ' GLY . 0.0 OUTLIER . . . . . 0 CA--C 1.553 1.067 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.551 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -167.99 174.72 7.17 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 125.534 1.534 . . . . 0.0 111.656 -168.742 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -145.03 152.11 39.61 Favored 'General case' 0 N--CA 1.483 1.177 0 O-C-N 121.366 -0.834 . . . . 0.0 113.228 173.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.562 HG11 ' CD2' ' A' ' 94' ' ' PHE . 34.9 m -141.97 170.46 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 124.265 1.026 . . . . 0.0 113.183 175.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 60.7 tt0 -143.44 132.97 23.55 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.577 1.151 . . . . 0.0 109.267 169.285 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -104.05 155.68 18.49 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.48 1.512 . . . . 0.0 111.982 178.155 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -72.88 -20.17 61.15 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 175.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -139.19 131.44 15.37 Favored Pre-proline 0 CA--C 1.549 0.905 0 C-N-CA 124.438 1.095 . . . . 0.0 111.771 -172.195 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -78.53 -23.96 8.01 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 123.019 2.479 . . . . 0.0 114.863 -173.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -76.83 -33.76 57.92 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 120.683 1.583 . . . . 0.0 111.446 173.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -70.13 -39.12 75.6 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.515 0.726 . . . . 0.0 110.424 172.105 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.19 -41.68 93.43 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 122.841 0.457 . . . . 0.0 111.695 169.562 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.85 -43.69 92.21 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 119.338 0.972 . . . . 0.0 112.827 176.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -59.29 -44.16 92.53 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.784 -0.573 . . . . 0.0 111.266 172.231 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.62 -53.59 52.32 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.378 0.671 . . . . 0.0 110.099 178.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 41.0 t -49.03 -45.45 16.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 125.437 1.495 . . . . 0.0 111.714 174.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.71 -29.35 56.21 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 120.121 1.328 . . . . 0.0 114.449 -178.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -93.05 0.3 57.3 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 119.421 1.01 . . . . 0.0 112.895 176.674 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.444 HD13 ' CE1' ' A' ' 94' ' ' PHE . 89.3 mt -117.28 -29.56 5.84 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 126.133 1.773 . . . . 0.0 113.076 177.231 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -70.13 119.17 13.93 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.648 1.113 . . . . 0.0 112.209 175.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 77.5 41.09 21.33 Favored Glycine 0 CA--C 1.533 1.161 0 N-CA-C 115.422 0.929 . . . . 0.0 115.422 169.68 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.22 10.81 1.01 Allowed 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 118.639 2.829 . . . . 0.0 118.639 -168.642 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 90.3 m 65.41 129.9 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 127.243 2.217 . . . . 0.0 114.166 -178.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 6.1 tp -153.91 2.34 0.25 Allowed 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 113.399 0.889 . . . . 0.0 113.399 -176.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 34.9 t -158.08 -49.59 0.06 Allowed 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 127.994 2.517 . . . . 0.0 106.662 173.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 164.04 41.96 0.02 OUTLIER Glycine 0 CA--C 1.531 1.072 0 N-CA-C 116.408 1.323 . . . . 0.0 116.408 168.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 2.4 t -154.41 -160.64 1.1 Allowed 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 124.808 1.243 . . . . 0.0 111.002 -175.011 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.81 8.73 40.02 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.735 -1.228 . . . . 0.0 114.196 -170.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 3.5 t 32.77 67.55 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 128.059 2.544 . . . . 0.0 112.144 169.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.24 111.08 16.28 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 121.232 -0.918 . . . . 0.0 109.329 -178.778 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 78.3 t -124.4 129.67 73.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 124.773 1.229 . . . . 0.0 109.767 -168.229 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -145.77 165.91 27.44 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.201 0.6 . . . . 0.0 111.684 -172.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -75.44 140.86 43.15 Favored 'General case' 0 CA--C 1.547 0.849 0 O-C-N 120.793 -1.192 . . . . 0.0 108.534 169.345 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 7.7 m . . . . . 0 N--CA 1.473 0.687 0 CA-C-N 118.966 0.803 . . . . 0.0 112.477 -177.123 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 . . . . . 0 CA--C 1.541 0.633 0 CA-C-O 121.268 0.556 . . . . 0.0 112.356 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.492 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 96.1 m-85 -127.86 150.98 49.61 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 127.204 2.202 . . . . 0.0 108.969 -177.68 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -106.07 164.43 11.99 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.754 1.221 . . . . 0.0 111.469 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.529 HD11 ' CD2' ' A' ' 7' ' ' LEU . 1.0 OUTLIER -147.61 137.23 22.67 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 127.309 2.244 . . . . 0.0 110.489 177.42 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.6 mp -116.44 112.42 39.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 126.557 1.943 . . . . 0.0 110.612 172.546 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.529 ' CD2' HD11 ' A' ' 5' ' ' LEU . 85.8 mt -80.17 70.86 6.88 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.632 1.973 . . . . 0.0 110.679 171.763 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 . . . . . 0 CA--C 1.561 1.379 0 C-N-CA 127.153 2.181 . . . . 0.0 114.92 179.578 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.469 0.484 0 N-CA-C 116.974 2.213 . . . . 0.0 116.974 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -159.9 -165.37 16.68 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 115.947 1.139 . . . . 0.0 115.947 171.247 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -155.34 168.2 27.86 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.881 1.672 . . . . 0.0 111.194 178.655 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.5 t -162.05 -174.21 4.02 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.135 1.774 . . . . 0.0 109.698 171.495 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.4 p -138.72 172.66 12.54 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 125.836 1.654 . . . . 0.0 110.325 171.19 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.0 t -155.58 161.66 40.81 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.038 0.935 . . . . 0.0 110.611 170.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -91.64 120.31 32.3 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.943 0.897 . . . . 0.0 108.83 169.007 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -143.33 175.97 9.51 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.322 1.849 . . . . 0.0 112.22 -173.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.9 p -80.13 -42.27 21.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 O-C-N 121.104 -0.997 . . . . 0.0 110.853 169.296 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.492 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 4.0 t70 174.08 -159.34 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 131.226 3.81 . . . . 0.0 107.018 -178.381 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.06 -25.02 1.81 Allowed 'General case' 0 CA--C 1.545 0.754 0 O-C-N 120.456 -1.403 . . . . 0.0 114.232 171.052 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.03 1.65 3.33 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.524 1.13 . . . . 0.0 113.695 174.533 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.8 m -143.07 -36.79 0.37 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.563 1.545 . . . . 0.0 111.976 171.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.67 -38.71 92.16 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.786 1.234 . . . . 0.0 110.845 175.138 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -74.09 2.53 8.69 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 114.476 1.287 . . . . 0.0 114.476 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.99 17.0 5.12 Favored 'General case' 0 N--CA 1.464 0.261 0 O-C-N 120.416 -1.428 . . . . 0.0 111.722 174.525 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.9 t -118.37 -51.37 4.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 125.19 1.396 . . . . 0.0 110.182 178.09 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -62.91 -26.1 68.63 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 178.067 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -55.0 -32.3 61.69 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.836 1.254 . . . . 0.0 112.484 175.098 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -79.04 -50.91 10.32 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.227 0.611 . . . . 0.0 110.712 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -60.01 -41.26 91.77 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 124.313 1.045 . . . . 0.0 112.399 177.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.01 -48.73 80.53 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.513 0.725 . . . . 0.0 111.64 177.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -67.22 -23.05 65.69 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 177.48 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -79.34 -31.51 43.05 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 174.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -78.18 -32.49 50.14 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 168.528 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 110.34 3.7 29.15 Favored Glycine 0 CA--C 1.534 1.246 0 C-N-CA 128.819 3.104 . . . . 0.0 114.537 172.678 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 47.5 t -79.24 145.9 8.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 124.125 0.97 . . . . 0.0 110.839 175.621 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -163.1 51.78 0.17 Allowed 'General case' 0 CA--C 1.551 1.0 0 CA-C-O 122.64 1.21 . . . . 0.0 112.738 169.692 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.18 -149.2 4.8 Favored Glycine 0 CA--C 1.539 1.546 0 C-N-CA 125.911 1.719 . . . . 0.0 116.219 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.42 ' HG2' ' HB ' ' A' ' 55' ' ' THR . 6.4 pt-20 -71.96 95.13 1.53 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.405 1.082 . . . . 0.0 111.78 -178.668 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 82.4 m95 -60.75 128.14 35.1 Favored 'General case' 0 C--O 1.233 0.193 0 O-C-N 120.992 -1.067 . . . . 0.0 110.206 178.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.8 161.89 36.13 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 126.007 1.723 . . . . 0.0 110.032 -170.298 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -151.54 167.39 28.21 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.064 1.346 . . . . 0.0 110.29 178.688 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -139.68 128.25 23.02 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 125.056 1.343 . . . . 0.0 108.416 171.414 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.544 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 5.9 m-20 -87.8 -2.22 58.47 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 115.087 1.514 . . . . 0.0 115.087 -174.837 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -106.71 -30.67 8.82 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.406 1.482 . . . . 0.0 112.358 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.2 t -111.74 2.44 17.18 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.031 0.932 . . . . 0.0 112.679 172.468 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.544 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 4.4 mmpt? 51.43 40.49 26.77 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 126.043 1.737 . . . . 0.0 112.817 169.337 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 52.0 m -123.92 111.08 15.62 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.012 1.325 . . . . 0.0 109.293 -170.096 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -66.17 162.62 19.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 122.767 1.27 . . . . 0.0 111.652 170.013 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 29.9 m -147.73 160.48 42.66 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 125.404 1.482 . . . . 0.0 107.432 169.615 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.49 ' CG1' HD23 ' A' ' 7' ' ' LEU . 13.9 p -147.01 85.04 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 124.652 1.181 . . . . 0.0 109.112 173.493 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.42 ' HB ' ' HG2' ' A' ' 42' ' ' GLU . 96.9 m . . . . . 0 N--CA 1.466 0.358 0 CA-C-O 122.464 1.126 . . . . 0.0 111.358 -171.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt . . . . . 0 N--CA 1.47 0.547 0 CA-C-O 121.642 0.734 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 90.5 t -51.17 129.78 10.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 C-N-CA 125.377 1.471 . . . . 0.0 110.049 172.115 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -89.52 152.63 21.33 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 124.097 0.959 . . . . 0.0 109.366 171.255 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.475 HG13 ' HB3' ' A' ' 113' ' ' ALA . 0.2 OUTLIER -147.9 141.34 19.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.78 0.8 . . . . 0.0 109.864 169.814 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.871 0 N-CA-C 110.689 -0.965 . . . . 0.0 110.689 175.541 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.2 ptmm? . . . . . 0 C--O 1.22 -0.453 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 42.7 m -37.68 -67.42 0.19 Allowed 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 126.234 1.813 . . . . 0.0 115.0 -169.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.79 -55.79 20.43 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.732 0.813 . . . . 0.0 109.617 -175.123 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.1 pp -64.36 -33.12 75.11 Favored 'General case' 0 C--O 1.22 -0.48 0 O-C-N 123.437 0.461 . . . . 0.0 111.504 -172.18 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -63.3 -49.93 72.06 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 125.271 1.428 . . . . 0.0 110.804 178.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.98 -34.69 78.31 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 118.89 -1.124 . . . . 0.0 112.296 170.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.67 -38.36 89.08 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.706 0.802 . . . . 0.0 112.598 -177.034 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.517 ' CD2' HG11 ' A' ' 115' ' ' VAL . 14.3 m-85 -74.07 -61.04 1.99 Allowed 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 124.807 1.243 . . . . 0.0 110.73 175.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.27 -19.82 48.01 Favored Glycine 0 CA--C 1.545 1.944 0 N-CA-C 115.466 0.946 . . . . 0.0 115.466 -178.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -54.31 -45.77 72.66 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.805 1.642 . . . . 0.0 113.006 168.312 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -71.12 -42.48 69.19 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 118.527 0.603 . . . . 0.0 110.416 174.495 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -179.88 160.54 25.7 Favored Glycine 0 N--CA 1.475 1.265 0 CA-C-O 118.728 -1.04 . . . . 0.0 114.667 169.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.31 125.89 19.89 Favored 'Trans proline' 0 N--CA 1.46 -0.482 0 CA-C-N 120.73 2.265 . . . . 0.0 116.166 -169.206 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.555 HD13 ' CG2' ' A' ' 103' ' ' VAL . 16.3 mt -66.69 142.12 57.53 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 113.243 -1.799 . . . . 0.0 111.207 169.716 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? -91.53 -36.53 13.66 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.583 1.153 . . . . 0.0 110.876 169.59 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 28.1 m -150.56 152.12 33.64 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.84 1.256 . . . . 0.0 111.493 174.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.555 ' CG2' HD13 ' A' ' 100' ' ' LEU . 71.0 t -139.13 128.79 30.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 125.629 1.572 . . . . 0.0 107.219 169.606 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 79.1 t90 -139.99 143.94 36.73 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 124.872 1.269 . . . . 0.0 110.375 177.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.498 HG12 ' HB1' ' A' ' 113' ' ' ALA . 1.3 m -138.69 151.96 24.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 O-C-N 121.223 -0.923 . . . . 0.0 109.163 169.636 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.954 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -170.04 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 5.5 p90 . . . . . 0 CA--C 1.55 0.948 0 CA-C-O 122.315 1.055 . . . . 0.0 113.794 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.498 ' HB1' HG12 ' A' ' 105' ' ' VAL . . . -149.12 175.83 11.01 Favored 'General case' 0 CA--C 1.558 1.252 0 C-N-CA 130.319 3.448 . . . . 0.0 110.389 177.381 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -147.4 149.12 32.12 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.899 1.28 . . . . 0.0 111.755 173.067 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.517 HG11 ' CD2' ' A' ' 94' ' ' PHE . 13.5 m -140.3 173.1 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 CA-C-O 122.345 1.069 . . . . 0.0 113.137 173.704 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 -146.66 145.82 30.17 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 127.305 2.242 . . . . 0.0 107.101 176.77 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.449 ' HB2' ' HB2' ' A' ' 123' ' ' ALA . 22.0 m-85 -122.54 149.3 44.11 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.223 1.009 . . . . 0.0 111.167 -175.767 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -85.22 -3.84 58.95 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -176.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -144.92 126.1 7.67 Favored Pre-proline 0 CA--C 1.548 0.901 0 C-N-CA 124.681 1.192 . . . . 0.0 110.764 171.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -68.51 -23.81 36.9 Favored 'Trans proline' 0 CA--C 1.538 0.68 0 C-N-CA 123.383 2.722 . . . . 0.0 113.982 -176.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 22.2 ttp-105 -59.84 -50.31 74.28 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 120.021 1.282 . . . . 0.0 109.947 170.275 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -74.59 -33.2 62.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.048 -175.096 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.449 ' HB2' ' HB2' ' A' ' 117' ' ' PHE . . . -58.61 -46.69 86.5 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.51 0.724 . . . . 0.0 110.99 169.446 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.34 -45.69 79.36 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.336 0.654 . . . . 0.0 111.576 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.21 -32.67 73.05 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 118.938 0.79 . . . . 0.0 112.549 178.463 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.81 -54.75 38.04 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 121.787 -0.571 . . . . 0.0 110.105 169.69 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 46.6 t -52.78 -40.83 36.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.684 1.193 . . . . 0.0 112.077 174.59 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 23.8 ttp180 -59.25 -34.73 72.58 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 126.699 2.0 . . . . 0.0 112.762 177.606 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -118.85 12.82 13.03 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 124.817 1.247 . . . . 0.0 113.961 -170.319 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.41 HD13 ' CE1' ' A' ' 94' ' ' PHE . 33.7 mt -120.6 -22.35 6.41 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 114.896 1.443 . . . . 0.0 114.896 -178.416 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -78.17 145.15 35.78 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 120.173 1.351 . . . . 0.0 113.972 -177.172 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 60.14 -35.56 0.04 OUTLIER Glycine 0 CA--C 1.526 0.739 1 C-N-CA 130.857 4.075 . . . . 0.0 122.513 168.14 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 34.7 ptt180 -71.4 -37.46 71.52 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 -168.055 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.8 m 154.33 143.41 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 129.973 3.309 . . . . 0.0 109.947 -178.435 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 46.7 tp -140.25 -61.76 0.51 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.673 1.189 . . . . 0.0 108.095 167.705 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 91.9 m -87.64 -23.73 24.15 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 169.068 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 152.24 0.25 0.25 Allowed Glycine 0 CA--C 1.541 1.665 0 N-CA-C 117.686 1.834 . . . . 0.0 117.686 175.202 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 10.5 t -152.89 -160.85 1.19 Allowed 'General case' 0 CA--C 1.554 1.118 0 CA-C-N 119.437 1.618 . . . . 0.0 110.936 -176.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -63.6 79.38 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 127.039 2.136 . . . . 0.0 113.037 -176.441 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 2.1 p -67.15 127.37 28.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 126.883 2.073 . . . . 0.0 107.497 169.52 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 56.8 mtt85 -99.2 140.61 33.11 Favored 'General case' 0 CA--C 1.513 -0.463 0 O-C-N 121.433 -0.792 . . . . 0.0 109.027 170.661 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 69.8 t -145.31 118.23 2.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 169.188 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -139.3 -160.16 1.03 Allowed 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.869 1.268 . . . . 0.0 108.764 -176.269 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -151.72 145.69 25.21 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 119.778 -1.826 . . . . 0.0 114.911 169.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 6.6 t . . . . . 0 CA--C 1.552 1.045 0 C-N-CA 131.434 3.893 . . . . 0.0 119.156 168.779 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 . . . . . 0 CA--C 1.545 0.769 0 CA-C-O 120.969 0.414 . . . . 0.0 111.399 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.497 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 80.5 m-85 -126.02 154.63 42.7 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 127.209 2.203 . . . . 0.0 108.472 -179.616 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -106.67 163.74 12.66 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.596 1.158 . . . . 0.0 111.167 178.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.614 HD22 ' HB3' ' A' ' 30' ' ' PHE . 12.4 tp -143.96 139.19 28.96 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 127.114 2.166 . . . . 0.0 109.663 172.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.6 mp -117.37 110.13 30.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 125.71 1.604 . . . . 0.0 108.725 173.174 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.597 HD21 HD21 ' A' ' 5' ' ' LEU . 54.1 mt -79.54 73.26 6.22 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.304 1.042 . . . . 0.0 109.234 169.712 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 . . . . . 0 CA--C 1.56 1.346 0 C-N-CA 125.917 1.687 . . . . 0.0 113.432 173.134 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.91 1 N-CA-C 122.129 4.122 . . . . 0.0 122.129 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.83 -163.06 21.09 Favored Glycine 0 CA--C 1.533 1.203 0 N-CA-C 116.456 1.342 . . . . 0.0 116.456 169.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -160.24 162.71 33.76 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 126.536 1.934 . . . . 0.0 111.994 178.632 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.8 t -158.72 -174.43 4.77 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.56 1.944 . . . . 0.0 110.443 174.619 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.7 p -142.07 172.71 12.32 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.65 1.58 . . . . 0.0 110.926 173.698 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.0 t -160.99 151.02 17.46 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.75 0.82 . . . . 0.0 111.612 173.595 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.8 tp10 -75.27 121.87 22.83 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 106.674 -1.602 . . . . 0.0 106.674 166.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -138.59 176.12 8.97 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.854 1.662 . . . . 0.0 111.996 176.462 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.3 p -85.5 -32.53 7.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 O-C-N 121.375 -0.828 . . . . 0.0 112.496 169.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.497 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 1.6 t70 169.04 -159.0 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.051 1 C-N-CA 131.823 4.049 . . . . 0.0 107.657 176.439 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.97 -22.92 1.73 Allowed 'General case' 0 CA--C 1.547 0.839 0 O-C-N 120.599 -1.313 . . . . 0.0 114.064 169.737 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.84 -5.36 16.2 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.549 1.14 . . . . 0.0 113.729 174.337 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.5 m -136.6 -36.47 0.7 Allowed 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.754 1.621 . . . . 0.0 112.36 173.304 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.49 -38.43 90.98 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.866 1.267 . . . . 0.0 110.902 176.34 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -74.38 3.64 7.12 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 178.27 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.413 ' HE3' HG23 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -133.04 18.44 4.11 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 120.307 -1.496 . . . . 0.0 111.828 174.912 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.413 HG23 ' HE3' ' A' ' 28' ' ' LYS . 3.9 t -120.34 -51.39 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 125.202 1.401 . . . . 0.0 110.039 178.021 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.614 ' HB3' HD22 ' A' ' 5' ' ' LEU . 23.4 m-85 -61.81 -27.67 68.93 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 177.569 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -54.53 -30.56 54.1 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.239 1.416 . . . . 0.0 113.057 176.137 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -80.61 -50.47 9.93 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.552 0.741 . . . . 0.0 110.582 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -62.18 -42.04 98.9 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 124.261 1.024 . . . . 0.0 112.531 178.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.15 -49.57 76.52 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 123.802 0.841 . . . . 0.0 112.021 178.427 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -69.95 -17.79 63.33 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 178.055 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -82.49 -30.87 29.61 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 119.161 0.891 . . . . 0.0 113.159 173.208 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -78.42 -33.15 48.81 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 168.634 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.11 5.35 23.4 Favored Glycine 0 CA--C 1.533 1.217 0 C-N-CA 128.388 2.899 . . . . 0.0 114.774 170.595 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.5 t -78.77 146.64 7.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 124.035 0.934 . . . . 0.0 111.216 175.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -163.27 52.66 0.17 Allowed 'General case' 0 CA--C 1.548 0.895 0 CA-C-O 122.39 1.091 . . . . 0.0 112.032 169.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.64 -148.53 4.84 Favored Glycine 0 CA--C 1.541 1.664 0 C-N-CA 125.812 1.672 . . . . 0.0 115.568 177.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -69.11 88.64 0.42 Allowed 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.353 1.861 . . . . 0.0 112.613 176.374 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 80.8 m95 -57.08 122.79 13.2 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 124.246 1.018 . . . . 0.0 110.138 175.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.07 164.08 28.45 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 126.651 1.98 . . . . 0.0 110.563 -170.117 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -151.91 156.95 41.12 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.949 1.3 . . . . 0.0 110.392 176.624 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -129.12 122.57 30.16 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 125.412 1.485 . . . . 0.0 107.934 171.304 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.487 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.7 OUTLIER -84.31 -8.4 59.02 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 -173.838 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -99.64 -29.07 12.88 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.257 1.423 . . . . 0.0 112.022 -177.447 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.0 t -112.97 2.86 15.94 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.419 0.688 . . . . 0.0 112.794 171.215 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.487 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 4.3 mmpt? 54.36 40.2 31.56 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.048 1.739 . . . . 0.0 112.431 169.6 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 58.1 m -123.46 108.07 12.27 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 124.914 1.285 . . . . 0.0 109.719 -169.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -62.92 161.51 12.77 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 122.507 1.146 . . . . 0.0 110.762 168.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 21.5 m -147.01 161.21 41.27 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 169.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.7 p -149.68 77.84 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 C-N-CA 125.253 1.421 . . . . 0.0 108.61 172.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 91.1 m . . . . . 0 N--CA 1.466 0.352 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.861 -176.002 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 42.6 mttp . . . . . 0 N--CA 1.471 0.587 0 N-CA-C 110.442 -0.207 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 39.8 t -127.38 139.5 51.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.849 1.26 . . . . 0.0 110.044 -175.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -91.85 148.77 21.98 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 126.62 1.968 . . . . 0.0 110.352 170.146 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.51 HG13 ' HB3' ' A' ' 113' ' ' ALA . 0.8 OUTLIER -152.45 150.12 13.11 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 CA-C-O 122.276 1.036 . . . . 0.0 113.393 172.41 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.332 0 C-N-CA 125.863 1.697 . . . . 0.0 111.193 168.476 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.0 ptmm? . . . . . 0 C--O 1.22 -0.491 0 N-CA-C 115.184 1.55 . . . . 0.0 115.184 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 83.0 m -46.72 -54.64 9.25 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 115.488 1.662 . . . . 0.0 115.488 -169.337 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -72.25 -48.93 38.96 Favored 'General case' 0 CA--C 1.531 0.242 0 O-C-N 121.344 -0.847 . . . . 0.0 111.69 -177.462 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.0 pp -62.22 -33.58 74.84 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.425 -0.797 . . . . 0.0 111.877 178.337 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -62.82 -45.69 91.46 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 125.578 1.551 . . . . 0.0 112.504 176.589 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.08 -41.81 94.68 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 119.527 1.058 . . . . 0.0 111.061 170.252 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.99 -43.31 99.04 Favored 'General case' 0 C--O 1.223 -0.334 0 C-N-CA 123.713 0.805 . . . . 0.0 111.705 -176.147 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.572 ' CD2' HG21 ' A' ' 115' ' ' VAL . 13.8 m-85 -68.28 -63.97 0.95 Allowed 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 125.643 1.577 . . . . 0.0 112.051 173.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.93 -18.43 47.15 Favored Glycine 0 CA--C 1.545 1.945 0 N-CA-C 115.248 0.859 . . . . 0.0 115.248 -174.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -54.85 -51.8 64.79 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.276 1.831 . . . . 0.0 112.861 168.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -68.03 -41.05 82.72 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.376 0.671 . . . . 0.0 111.052 177.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -170.75 156.88 27.54 Favored Glycine 0 N--CA 1.473 1.126 0 CA-C-O 118.374 -1.237 . . . . 0.0 113.338 170.336 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -63.05 146.49 94.59 Favored 'Trans proline' 0 CA--C 1.536 0.603 0 CA-C-N 121.134 2.467 . . . . 0.0 113.632 -169.526 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.537 HD13 ' CG2' ' A' ' 103' ' ' VAL . 14.9 mt -92.09 164.62 13.53 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.432 1.893 . . . . 0.0 112.056 -177.726 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 30.5 mtm105 -127.01 -21.26 4.01 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.924 1.29 . . . . 0.0 113.773 169.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 16.2 m -154.36 148.42 25.76 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.398 1.479 . . . . 0.0 110.792 169.204 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.537 ' CG2' HD13 ' A' ' 100' ' ' LEU . 17.5 t -144.23 130.76 16.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 125.365 1.466 . . . . 0.0 107.758 175.839 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 70.2 t90 -139.97 139.1 36.0 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 124.544 1.137 . . . . 0.0 110.297 -170.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.448 HG12 ' HB1' ' A' ' 113' ' ' ALA . 3.3 m -135.98 144.52 33.15 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 169.451 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.645 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 -168.445 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.554 1.134 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.51 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -165.58 176.78 7.84 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.85 1.26 . . . . 0.0 114.397 -166.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -147.54 170.79 16.7 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 177.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.572 HG21 ' CD2' ' A' ' 94' ' ' PHE . 1.5 t -158.05 164.95 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 C-N-CA 126.457 1.903 . . . . 0.0 112.676 -170.522 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -146.93 123.57 11.15 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 126.58 1.952 . . . . 0.0 108.872 165.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.404 ' CZ ' ' HB3' ' A' ' 94' ' ' PHE . 24.0 m-85 -89.64 169.63 11.16 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 113.966 1.098 . . . . 0.0 113.966 -176.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -57.78 -42.29 83.78 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 120.926 -1.108 . . . . 0.0 111.609 169.622 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -140.71 138.72 18.78 Favored Pre-proline 0 CA--C 1.55 0.966 0 C-N-CA 123.755 0.822 . . . . 0.0 112.959 -170.062 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_exo -53.31 -35.14 73.45 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 124.605 3.536 . . . . 0.0 115.467 175.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 3.2 ttp85 -62.82 -40.8 98.52 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 119.292 0.951 . . . . 0.0 111.228 175.716 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -74.3 -37.56 63.62 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 118.72 -0.657 . . . . 0.0 111.948 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.43 -45.77 90.61 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.029 0.831 . . . . 0.0 111.823 169.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.58 -45.33 87.46 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.388 0.675 . . . . 0.0 112.054 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -70.13 -33.51 71.92 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.191 0.996 . . . . 0.0 112.699 178.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.27 -54.02 39.86 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.309 0.644 . . . . 0.0 110.276 169.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 39.5 t -49.59 -48.51 20.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 124.449 1.1 . . . . 0.0 111.458 173.701 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 54.9 ttp85 -57.35 -40.01 77.14 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.749 1.62 . . . . 0.0 113.238 -179.632 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -102.96 -14.23 16.58 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -173.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.414 ' HB3' HG21 ' A' ' 142' ' ' VAL . 45.0 mt -86.79 -42.25 13.45 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 125.422 1.489 . . . . 0.0 112.986 172.511 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -61.6 137.42 58.24 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -169.208 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 63.23 6.57 14.49 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 125.603 1.573 . . . . 0.0 116.319 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 4.7 mmt-85 -84.23 -77.97 0.25 Allowed 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 119.723 1.761 . . . . 0.0 112.437 -176.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.7 m 164.79 145.41 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 130.096 3.359 . . . . 0.0 109.95 177.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 14.2 mt -158.2 145.34 17.92 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 128.925 2.89 . . . . 0.0 105.126 168.689 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . 0.259 34.2 m 65.53 -48.55 0.38 Allowed 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 126.62 1.968 . . . . 0.0 111.978 -168.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 126.27 56.78 0.15 Allowed Glycine 0 C--N 1.347 1.16 0 N-CA-C 118.989 2.355 . . . . 0.0 118.989 166.296 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 49.0 t -154.7 -50.02 0.09 Allowed 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.687 0.795 . . . . 0.0 110.222 169.278 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.8 163.98 31.77 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 127.566 2.346 . . . . 0.0 109.897 174.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 3.5 p -143.43 149.82 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 124.334 1.054 . . . . 0.0 111.264 171.294 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' ARG . . . . . 0.428 HH11 ' HG2' ' A' ' 141' ' ' ARG . 0.0 OUTLIER -124.67 134.29 52.93 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 126.909 2.084 . . . . 0.0 105.83 168.636 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.414 HG21 ' HB3' ' A' ' 130' ' ' LEU . 97.5 t -145.45 129.12 11.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 170.091 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -142.23 169.54 17.39 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 119.781 1.173 . . . . 0.0 111.772 -178.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -79.41 134.01 36.56 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 120.427 -1.42 . . . . 0.0 108.235 169.351 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 8.0 m . . . . . 0 N--CA 1.473 0.718 0 C-N-CA 124.01 0.924 . . . . 0.0 112.882 179.662 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 . . . . . 0 CA--C 1.541 0.633 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -122.46 150.59 42.29 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 127.198 2.199 . . . . 0.0 108.614 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -100.82 163.38 12.34 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.265 1.026 . . . . 0.0 111.275 177.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.533 HD11 ' CD2' ' A' ' 7' ' ' LEU . 1.1 tm? -144.6 137.39 26.69 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 127.218 2.207 . . . . 0.0 109.594 174.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.3 mp -115.44 111.49 35.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 126.22 1.808 . . . . 0.0 108.736 172.649 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.533 ' CD2' HD11 ' A' ' 5' ' ' LEU . 89.9 mt -79.52 74.5 6.16 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 124.507 1.123 . . . . 0.0 108.255 169.819 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 . . . . . 0 CA--C 1.556 1.199 0 C-N-CA 126.453 1.901 . . . . 0.0 113.702 174.667 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.469 0.524 0 N-CA-C 118.073 2.62 . . . . 0.0 118.073 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -157.25 -161.31 10.74 Favored Glycine 0 CA--C 1.532 1.099 0 N-CA-C 116.963 1.545 . . . . 0.0 116.963 169.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -150.05 165.56 32.37 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 125.261 1.425 . . . . 0.0 112.216 -174.423 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.8 t -162.15 -175.6 4.68 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 126.254 1.822 . . . . 0.0 110.614 169.515 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 74.6 p -140.08 169.45 17.67 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 126.005 1.722 . . . . 0.0 110.691 172.321 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.629 HG21 HG11 ' A' ' 29' ' ' VAL . 5.5 t -155.67 142.7 19.11 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.316 -0.865 . . . . 0.0 111.033 177.154 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -76.28 108.32 9.14 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 169.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.528 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -131.77 174.19 10.39 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.281 1.432 . . . . 0.0 113.569 -176.539 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 84.2 t -81.05 -47.3 20.24 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 O-C-N 121.288 -0.882 . . . . 0.0 110.548 169.368 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.8 t70 178.88 -156.92 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 130.626 3.57 . . . . 0.0 106.405 178.131 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.43 -19.78 1.53 Allowed 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 120.917 1.69 . . . . 0.0 114.658 170.319 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.0 -8.85 25.34 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.336 1.054 . . . . 0.0 113.488 172.474 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.528 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 43.2 m -138.99 -36.25 0.54 Allowed 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 126.425 1.89 . . . . 0.0 112.054 -179.554 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.416 ' HA ' HG12 ' A' ' 29' ' ' VAL . . . -70.7 -36.85 73.46 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.26 1.424 . . . . 0.0 111.076 177.345 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -76.1 4.76 7.86 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 120.522 -1.361 . . . . 0.0 114.422 179.012 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.63 20.29 3.33 Favored 'General case' 0 N--CA 1.463 0.223 0 O-C-N 120.441 -1.412 . . . . 0.0 111.811 176.745 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.629 HG11 HG21 ' A' ' 18' ' ' THR . 4.3 p -125.12 -40.24 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 124.297 1.039 . . . . 0.0 112.216 176.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.48 ' CZ ' HG22 ' A' ' 18' ' ' THR . 24.0 m-85 -68.85 -27.5 65.88 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 124.381 1.072 . . . . 0.0 113.053 173.379 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -55.41 -31.61 61.99 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.096 1.358 . . . . 0.0 113.068 176.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -79.42 -49.91 11.62 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.054 0.942 . . . . 0.0 110.671 179.477 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -61.54 -41.8 97.88 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.66 1.184 . . . . 0.0 112.552 178.318 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.07 -49.64 76.22 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 123.982 0.913 . . . . 0.0 111.645 177.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -67.99 -19.38 64.93 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 177.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -82.95 -29.57 28.98 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 119.176 0.898 . . . . 0.0 113.241 173.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 54.3 m-80 -78.94 -33.89 44.97 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 168.569 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.0 4.21 24.33 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 128.728 3.061 . . . . 0.0 114.54 171.689 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 39.3 t -80.5 145.58 8.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.011 0.924 . . . . 0.0 110.645 174.721 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -162.56 52.09 0.19 Allowed 'General case' 0 CA--C 1.552 1.044 0 CA-C-O 122.51 1.148 . . . . 0.0 112.425 169.117 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.88 -147.48 3.1 Favored Glycine 0 CA--C 1.545 1.916 0 C-N-CA 126.16 1.838 . . . . 0.0 116.282 177.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -72.63 98.5 2.36 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.739 1.215 . . . . 0.0 112.491 -178.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 85.1 m95 -64.04 121.06 13.23 Favored 'General case' 0 N--CA 1.466 0.332 0 O-C-N 120.294 -1.504 . . . . 0.0 110.337 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.33 161.66 31.85 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 126.858 2.063 . . . . 0.0 110.458 -172.255 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -156.59 165.84 35.13 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.617 1.167 . . . . 0.0 111.403 -178.011 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -137.56 158.9 43.39 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 126.218 1.807 . . . . 0.0 110.825 -178.53 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.407 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.3 OUTLIER -127.77 30.5 5.29 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 -179.225 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -131.51 -33.43 1.45 Allowed 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.558 1.943 . . . . 0.0 112.619 176.077 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.6 t -122.24 -3.47 8.98 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 127.595 2.358 . . . . 0.0 112.585 172.527 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.407 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 3.2 mmpt? 56.98 46.04 20.14 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.581 1.552 . . . . 0.0 112.688 168.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 53.4 m -120.64 110.13 16.05 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 125.803 1.641 . . . . 0.0 109.616 -170.565 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -64.44 161.99 16.02 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.083 0.953 . . . . 0.0 111.47 169.584 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 22.5 m -147.15 159.88 43.1 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 125.43 1.492 . . . . 0.0 108.278 170.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.434 ' CG1' HD23 ' A' ' 7' ' ' LEU . 12.6 p -149.84 82.64 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 C-N-CA 124.609 1.164 . . . . 0.0 111.189 174.769 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 33.1 m . . . . . 0 N--CA 1.473 0.677 0 C-N-CA 123.578 0.751 . . . . 0.0 112.075 -174.792 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.0 mtmm . . . . . 0 N--CA 1.474 0.77 0 CA-C-O 122.437 1.113 . . . . 0.0 112.544 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.607 ' HB ' HG13 ' A' ' 115' ' ' VAL . 6.7 t -133.44 157.34 42.46 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 C-N-CA 127.906 2.482 . . . . 0.0 109.501 -170.523 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -126.14 146.27 50.01 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 127.567 2.347 . . . . 0.0 110.405 -176.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.492 HG13 ' HB3' ' A' ' 113' ' ' ALA . 2.0 p -145.78 138.78 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-O 122.239 1.019 . . . . 0.0 111.561 169.826 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.705 0 C-N-CA 123.739 0.685 . . . . 0.0 112.65 169.936 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.279 9.7 ptmm? . . . . . 0 N--CA 1.483 1.222 0 N-CA-C 120.276 3.436 . . . . 0.0 120.276 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 82.8 m -49.67 -59.14 4.07 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 121.817 2.099 . . . . 0.0 113.935 -170.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.27 -55.52 17.95 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 -175.06 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.478 HD12 ' N ' ' A' ' 91' ' ' GLU . 3.3 pp -63.22 -34.39 77.54 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 123.432 0.458 . . . . 0.0 112.052 -174.205 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.478 ' N ' HD12 ' A' ' 90' ' ' LEU . 25.3 tt0 -65.03 -47.86 75.91 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 124.053 0.941 . . . . 0.0 111.311 179.462 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.84 -32.07 70.28 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 119.585 -0.846 . . . . 0.0 112.391 172.467 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.51 -44.3 96.7 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.819 0.848 . . . . 0.0 111.466 178.049 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.647 ' CZ ' HG11 ' A' ' 115' ' ' VAL . 12.0 m-85 -64.14 -66.47 0.54 Allowed 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 125.404 1.482 . . . . 0.0 111.277 172.776 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' A' ' 98' ' ' GLY . . . -52.87 -24.47 19.61 Favored Glycine 0 CA--C 1.547 2.08 0 N-CA-C 116.363 1.305 . . . . 0.0 116.363 -178.684 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -55.47 -51.49 66.77 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 126.208 1.803 . . . . 0.0 113.614 169.499 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -68.47 -42.01 79.32 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.141 0.576 . . . . 0.0 110.959 178.061 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.401 ' O ' ' HA2' ' A' ' 95' ' ' GLY . . . -167.25 161.01 34.84 Favored Glycine 0 N--CA 1.473 1.163 0 CA-C-O 118.38 -1.233 . . . . 0.0 113.633 175.303 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -71.18 131.82 19.94 Favored 'Trans proline' 0 CA--C 1.533 0.463 0 CA-C-N 121.666 2.733 . . . . 0.0 113.58 -170.319 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.415 ' HA ' ' HA ' ' A' ' 117' ' ' PHE . 21.9 mt -71.37 162.17 29.87 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.401 1.88 . . . . 0.0 113.115 175.11 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 28.6 ttp180 -121.67 -29.03 4.44 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 126.116 1.766 . . . . 0.0 111.95 169.314 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.9 m -157.71 156.86 32.42 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.966 1.306 . . . . 0.0 111.907 169.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 83.6 t -142.62 138.27 28.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 125.613 1.565 . . . . 0.0 108.515 172.341 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 91.3 t90 -137.01 149.72 47.66 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 125.336 1.454 . . . . 0.0 110.582 178.125 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 14.3 m -143.79 155.46 15.99 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 C-N-CA 125.124 1.37 . . . . 0.0 108.627 174.557 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.552 1.027 0 N-CA-C 115.73 1.752 . . . . 0.0 115.73 -169.926 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.549 0.923 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.492 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -165.87 176.47 7.86 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 124.789 1.235 . . . . 0.0 113.767 -168.705 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -137.33 167.52 21.43 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 124.023 0.929 . . . . 0.0 112.925 174.294 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.647 HG11 ' CZ ' ' A' ' 94' ' ' PHE . 0.2 OUTLIER -156.69 158.27 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 C-N-CA 124.952 1.301 . . . . 0.0 111.648 -168.794 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 65.2 tt0 -144.24 134.14 23.9 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.699 1.6 . . . . 0.0 108.689 168.525 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.415 ' HA ' ' HA ' ' A' ' 100' ' ' LEU . 63.6 m-85 -104.21 162.92 12.78 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.903 0.881 . . . . 0.0 112.1 176.258 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -61.33 -27.12 68.27 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 177.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -140.77 128.02 12.1 Favored Pre-proline 0 CA--C 1.546 0.805 0 C-N-CA 126.302 1.841 . . . . 0.0 108.768 -177.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -49.67 -26.03 12.34 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 C-N-CA 123.891 3.061 . . . . 0.0 114.974 170.203 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -75.86 -30.25 58.83 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.469 1.107 . . . . 0.0 112.874 172.46 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -68.68 -44.99 72.85 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 119.518 1.054 . . . . 0.0 109.914 168.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.24 -43.82 83.3 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 171.598 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.04 -48.22 82.39 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.793 0.724 . . . . 0.0 112.173 -179.609 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.7 -30.69 63.01 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 119.483 1.038 . . . . 0.0 112.916 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.37 -50.75 70.33 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.772 -0.58 . . . . 0.0 111.221 170.678 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.447 HG22 HG12 ' A' ' 142' ' ' VAL . 53.2 t -55.12 -44.28 73.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 125.257 1.423 . . . . 0.0 110.868 171.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 44.0 ttp85 -60.61 -31.1 70.28 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.207 1.403 . . . . 0.0 113.188 -178.192 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -103.39 -22.14 13.71 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 115.097 1.517 . . . . 0.0 115.097 177.061 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 47.9 mt -81.68 -42.46 19.9 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 119.254 0.934 . . . . 0.0 112.619 175.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -62.2 116.92 5.39 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 -169.419 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 72.98 45.46 32.51 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 126.097 1.808 . . . . 0.0 115.044 176.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -118.45 -68.47 0.91 Allowed 'General case' 0 N--CA 1.488 1.439 0 CA-C-N 119.549 1.675 . . . . 0.0 114.475 -173.535 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 7.7 m 147.48 139.6 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.308 1 C-N-CA 132.53 4.332 . . . . 0.0 108.526 -175.342 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 2.1 tp -169.47 145.71 3.26 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 104.06 -2.571 . . . . 0.0 104.06 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 52.5 t 59.34 -62.88 0.04 OUTLIER 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 127.222 2.209 . . . . 0.0 111.703 -167.563 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 162.14 42.75 0.02 OUTLIER Glycine 0 CA--C 1.529 0.933 0 C-N-CA 125.333 1.444 . . . . 0.0 113.948 169.21 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 26.8 t -125.02 -104.0 0.36 Allowed 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.992 1.317 . . . . 0.0 109.834 -175.449 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -143.44 -23.3 0.6 Allowed 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 115.982 1.845 . . . . 0.0 115.982 169.342 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . 0.287 0.3 OUTLIER 55.74 111.66 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 C-N-CA 130.43 3.492 . . . . 0.0 111.909 -179.732 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.43 139.66 50.6 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 106.488 -1.671 . . . . 0.0 106.488 175.158 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.447 HG12 HG22 ' A' ' 127' ' ' VAL . 54.6 t -141.45 136.42 32.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 C-N-CA 122.912 0.485 . . . . 0.0 109.749 -168.437 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -139.79 176.92 8.33 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.092 0.957 . . . . 0.0 111.108 -178.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 58.9 mt -82.98 143.53 30.59 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 120.564 -1.335 . . . . 0.0 108.407 167.261 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 44.7 t . . . . . 0 N--CA 1.47 0.545 0 C-N-CA 124.193 0.997 . . . . 0.0 110.033 175.548 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 . . . . . 0 N--CA 1.471 0.606 0 CA-C-O 121.264 0.554 . . . . 0.0 111.543 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.435 ' CD2' ' HB3' ' A' ' 20' ' ' ALA . 96.3 m-85 -125.82 156.39 39.62 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 127.183 2.193 . . . . 0.0 108.771 -177.71 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -111.26 161.94 15.5 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.787 1.235 . . . . 0.0 111.703 -177.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.441 HD11 ' HG ' ' A' ' 7' ' ' LEU . 1.6 tm? -147.44 135.79 21.64 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.338 1.855 . . . . 0.0 110.731 176.192 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mp -116.09 122.95 70.74 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 C-N-CA 126.232 1.813 . . . . 0.0 111.467 175.034 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.441 ' HG ' HD11 ' A' ' 5' ' ' LEU . 3.4 mp -97.99 58.22 1.34 Allowed 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 128.935 2.894 . . . . 0.0 110.877 -177.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 . . . . . 0 CA--C 1.545 0.768 0 O-C-N 120.59 -1.319 . . . . 0.0 112.715 -176.421 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.966 0 N-CA-C 118.344 2.72 . . . . 0.0 118.344 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -177.39 -161.64 26.22 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 117.204 1.642 . . . . 0.0 117.204 169.469 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -158.58 158.3 33.64 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 126.694 1.997 . . . . 0.0 111.787 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.8 t -154.79 -175.51 5.46 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.975 1.71 . . . . 0.0 109.833 176.168 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 74.7 p -141.49 173.57 11.37 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.406 1.482 . . . . 0.0 110.573 174.178 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.595 HG21 HG11 ' A' ' 29' ' ' VAL . 5.1 t -157.9 150.47 22.56 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 121.197 -0.939 . . . . 0.0 111.046 177.135 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -81.22 121.39 26.09 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 167.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.641 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -143.4 173.19 11.83 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 126.225 1.81 . . . . 0.0 112.802 -176.491 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.2 t -79.3 -46.29 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 O-C-N 120.932 -1.105 . . . . 0.0 110.087 169.437 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.9 t70 177.52 -158.19 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 129.898 3.279 . . . . 0.0 106.626 -176.658 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.56 -20.62 3.1 Favored 'General case' 0 CA--C 1.547 0.84 0 O-C-N 119.981 -1.7 . . . . 0.0 113.933 169.328 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.73 -6.22 10.98 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.991 1.316 . . . . 0.0 113.78 173.034 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.641 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 23.3 m -140.09 -37.76 0.47 Allowed 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 126.098 1.759 . . . . 0.0 112.357 179.395 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.452 ' HA ' HG12 ' A' ' 29' ' ' VAL . . . -68.01 -37.55 81.57 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.037 1.335 . . . . 0.0 110.695 176.723 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.421 ' HG3' ' HE3' ' A' ' 31' ' ' LYS . 0.8 OUTLIER -74.95 5.63 4.94 Favored 'General case' 0 CA--C 1.552 1.048 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 178.236 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.51 11.62 4.1 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 125.724 1.61 . . . . 0.0 112.949 173.319 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.595 HG11 HG21 ' A' ' 18' ' ' THR . 4.9 p -118.48 -39.98 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 C-N-CA 124.254 1.021 . . . . 0.0 112.605 175.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.42 ' CZ ' HG22 ' A' ' 18' ' ' THR . 21.7 m-85 -65.87 -31.08 71.82 Favored 'General case' 0 C--O 1.224 -0.245 0 C-N-CA 123.882 0.873 . . . . 0.0 112.225 172.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.433 ' HD3' ' CZ2' ' A' ' 43' ' ' TRP . 11.8 mmtt -56.98 -28.47 62.36 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.162 0.985 . . . . 0.0 112.937 177.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -81.15 -49.89 10.28 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 118.45 0.568 . . . . 0.0 111.497 176.165 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -61.22 -40.78 95.27 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.453 1.101 . . . . 0.0 111.683 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.75 -49.43 76.61 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 125.539 1.536 . . . . 0.0 111.903 175.268 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -63.25 -25.01 68.13 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 177.29 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -80.33 -28.39 38.17 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 177.578 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 51.2 m-80 -80.45 -32.07 37.32 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 168.118 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.32 -0.97 18.86 Favored Glycine 0 CA--C 1.532 1.131 0 C-N-CA 128.689 3.043 . . . . 0.0 114.448 170.362 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.1 p -74.06 155.56 6.62 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 CA-C-N 118.477 1.138 . . . . 0.0 112.034 178.169 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -164.03 30.31 0.08 Allowed 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 125.874 1.67 . . . . 0.0 110.314 169.566 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.23 -154.45 0.01 OUTLIER Glycine 0 CA--C 1.546 2.0 0 C-N-CA 128.696 3.046 . . . . 0.0 118.21 178.617 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -66.77 90.59 0.17 Allowed 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.95 1.3 . . . . 0.0 111.85 -178.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.433 ' CZ2' ' HD3' ' A' ' 31' ' ' LYS . 78.7 m95 -65.79 110.08 2.69 Favored 'General case' 0 C--O 1.236 0.342 0 O-C-N 120.354 -1.466 . . . . 0.0 110.215 -178.244 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.93 162.28 25.57 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 126.294 1.838 . . . . 0.0 110.905 -171.495 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -151.86 164.21 37.57 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.498 1.119 . . . . 0.0 111.735 177.389 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -140.5 156.49 46.32 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.843 2.057 . . . . 0.0 109.854 -174.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.431 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.3 OUTLIER -126.86 1.02 6.67 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 -178.21 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -87.69 -30.05 20.66 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.443 1.097 . . . . 0.0 110.283 169.436 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.5 -8.76 4.13 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 -176.811 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.431 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 1.3 mmpt? 59.93 48.01 9.29 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.852 1.661 . . . . 0.0 112.475 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 73.2 m -120.57 113.75 20.72 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.076 0.951 . . . . 0.0 111.513 -174.466 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -66.86 160.88 25.14 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-O 122.275 1.036 . . . . 0.0 110.915 168.697 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.4 m -145.75 160.45 41.71 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.537 1.535 . . . . 0.0 107.96 169.366 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.1 p -151.29 68.98 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 C-N-CA 125.671 1.588 . . . . 0.0 110.572 -177.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.5 m . . . . . 0 N--CA 1.472 0.66 0 O-C-N 121.035 -1.041 . . . . 0.0 111.832 -177.978 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.4 mttp . . . . . 0 N--CA 1.478 0.954 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.606 ' HB ' HG13 ' A' ' 115' ' ' VAL . 23.5 t -124.4 142.83 39.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 124.314 1.046 . . . . 0.0 110.01 -176.394 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -101.09 148.63 24.84 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 127.162 2.185 . . . . 0.0 109.859 170.387 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.466 HG13 ' HB3' ' A' ' 113' ' ' ALA . 1.1 p -148.29 144.41 18.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 O-C-N 121.409 -0.807 . . . . 0.0 111.704 171.049 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.903 0 N-CA-C 117.302 1.681 . . . . 0.0 117.302 173.958 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.537 0.444 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 85.6 m -52.13 -57.95 8.05 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 121.051 1.75 . . . . 0.0 114.981 -169.377 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -74.63 -46.03 40.93 Favored 'General case' 0 C--N 1.344 0.331 0 CA-C-N 119.817 1.19 . . . . 0.0 111.081 -178.116 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.404 HD12 ' N ' ' A' ' 91' ' ' GLU 0.262 3.0 pp -60.24 -35.27 75.1 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 119.844 1.202 . . . . 0.0 112.114 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.404 ' N ' HD12 ' A' ' 90' ' ' LEU . 44.3 tt0 -58.22 -52.87 63.78 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.397 1.079 . . . . 0.0 112.174 170.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.28 -37.17 86.55 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 119.742 1.155 . . . . 0.0 111.9 176.27 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.57 -43.6 93.35 Favored 'General case' 0 C--O 1.223 -0.328 0 C-N-CA 124.473 1.109 . . . . 0.0 111.678 -179.005 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.641 ' CZ ' HG11 ' A' ' 115' ' ' VAL . 9.7 m-85 -66.91 -63.86 0.97 Allowed 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 125.24 1.416 . . . . 0.0 111.758 173.699 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -57.23 -22.32 43.26 Favored Glycine 0 CA--C 1.545 1.958 0 N-CA-C 115.423 0.929 . . . . 0.0 115.423 -178.561 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -53.69 -52.07 61.21 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.732 1.613 . . . . 0.0 112.659 169.046 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -67.02 -46.29 74.93 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.285 0.634 . . . . 0.0 110.564 177.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -165.09 151.01 19.62 Favored Glycine 0 N--CA 1.473 1.117 0 CA-C-O 118.418 -1.212 . . . . 0.0 112.796 176.004 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -63.77 123.85 12.66 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 CA-C-N 120.894 2.347 . . . . 0.0 112.844 -169.464 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.428 HD13 ' CG2' ' A' ' 103' ' ' VAL . 18.3 mt -60.52 157.2 14.66 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 125.062 1.345 . . . . 0.0 112.857 173.609 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -118.72 -21.71 7.75 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.601 1.161 . . . . 0.0 112.303 169.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.0 m -160.97 150.17 16.77 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.295 1.838 . . . . 0.0 111.415 168.463 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.428 ' CG2' HD13 ' A' ' 100' ' ' LEU . 99.2 t -138.8 141.62 36.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 126.244 1.818 . . . . 0.0 108.499 173.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 87.4 t90 -146.46 142.57 28.25 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 124.546 1.139 . . . . 0.0 111.395 -173.242 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.426 HG12 ' HB1' ' A' ' 113' ' ' ALA . 1.9 m -138.21 142.32 35.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 N-CA-C 106.375 -1.713 . . . . 0.0 106.375 168.47 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.704 0 N-CA-C 116.718 2.118 . . . . 0.0 116.718 -167.57 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.553 1.074 0 N-CA-C 106.118 -1.808 . . . . 0.0 106.118 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.466 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -161.05 177.34 10.41 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 115.531 1.678 . . . . 0.0 115.531 -166.048 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -145.42 169.09 19.01 Favored 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 178.204 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.641 HG11 ' CZ ' ' A' ' 94' ' ' PHE . 0.2 OUTLIER -157.36 153.53 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 125.926 1.691 . . . . 0.0 111.037 -171.398 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -138.39 122.97 18.54 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.758 1.623 . . . . 0.0 108.922 169.217 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -98.84 -10.65 22.65 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.259 1.024 . . . . 0.0 113.279 175.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 65.46 -40.1 0.3 Allowed 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 128.42 2.688 . . . . 0.0 114.696 -177.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -91.47 127.3 51.28 Favored Pre-proline 0 CA--C 1.549 0.912 0 C-N-CA 125.322 1.449 . . . . 0.0 110.595 174.43 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo -62.96 -31.42 77.0 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.117 2.545 . . . . 0.0 115.523 -179.285 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.4 -40.98 73.59 Favored 'General case' 0 N--CA 1.481 1.119 0 CA-C-N 120.776 1.625 . . . . 0.0 111.372 176.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -60.82 -49.19 78.46 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 122.668 0.387 . . . . 0.0 110.137 178.504 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.14 -40.52 96.34 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 171.452 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.431 ' HA ' HG12 ' A' ' 127' ' ' VAL . . . -58.77 -43.74 90.46 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 120.295 1.407 . . . . 0.0 112.326 -179.16 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -71.63 -35.77 70.52 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.338 -0.851 . . . . 0.0 111.201 176.11 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -74.64 1.27 12.59 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 172.236 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.431 HG12 ' HA ' ' A' ' 124' ' ' ALA . 0.4 OUTLIER -129.16 -1.9 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 O-C-N 120.179 -1.576 . . . . 0.0 112.389 178.228 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -122.09 4.6 9.83 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.961 1.705 . . . . 0.0 113.519 169.569 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -126.22 -30.01 2.95 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.411 1.085 . . . . 0.0 113.13 169.592 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 73.1 mt -76.11 -46.33 29.38 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 120.475 1.489 . . . . 0.0 111.21 168.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . 0.265 47.8 p30 11.64 -34.95 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.417 2 C-N-CA 135.14 5.376 . . . . 0.0 122.576 -170.415 . . . . . . . . 3 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 167.26 25.68 0.02 OUTLIER Glycine 0 CA--C 1.536 1.348 0 C-N-CA 126.47 1.986 . . . . 0.0 114.393 177.545 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 34.9 mtt180 -78.42 -75.11 0.24 Allowed 'General case' 0 N--CA 1.482 1.125 0 CA-C-N 118.92 1.36 . . . . 0.0 112.712 -169.636 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 2.3 m -171.32 140.86 1.5 Allowed 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 127.907 2.483 . . . . 0.0 106.936 175.672 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 9.0 tp -165.22 141.42 5.52 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 105.338 -2.097 . . . . 0.0 105.338 -178.099 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 58.3 m 59.6 -48.74 0.08 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 127.383 2.273 . . . . 0.0 113.927 -168.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 150.98 31.85 0.04 OUTLIER Glycine 0 CA--C 1.529 0.952 0 C-N-CA 125.259 1.409 . . . . 0.0 115.726 168.46 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -139.42 178.92 6.85 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.247 1.019 . . . . 0.0 111.383 176.351 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.34 90.3 0.7 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.359 1.464 . . . . 0.0 108.6 176.717 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 9.1 p -75.41 165.59 3.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 124.179 0.991 . . . . 0.0 109.391 -175.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' ARG . . . . . 0.486 HH11 ' HG2' ' A' ' 141' ' ' ARG . 0.0 OUTLIER -136.07 131.43 34.86 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 127.669 2.388 . . . . 0.0 106.181 169.742 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 61.6 t -138.31 109.96 5.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 169.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -122.07 155.27 36.02 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 120.98 -1.075 . . . . 0.0 110.356 -169.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 7.0 tt -74.11 131.28 41.15 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 120.417 -1.427 . . . . 0.0 107.614 169.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 24.0 t . . . . . 0 CA--C 1.541 0.604 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 -168.764 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 . . . . . 0 CA--C 1.544 0.715 0 CA-C-O 121.1 0.476 . . . . 0.0 111.38 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.42 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 94.3 m-85 -125.47 153.47 43.49 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 127.504 2.322 . . . . 0.0 108.422 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -106.6 162.89 13.35 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.792 1.237 . . . . 0.0 111.22 179.255 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.523 HD11 ' HG ' ' A' ' 7' ' ' LEU . 1.3 tm? -145.65 138.07 25.67 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.741 2.016 . . . . 0.0 110.339 174.65 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.4 mp -114.94 131.48 67.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 126.427 1.891 . . . . 0.0 110.275 173.349 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.523 ' HG ' HD11 ' A' ' 5' ' ' LEU . 3.2 mp -106.88 58.83 0.63 Allowed 'General case' 0 C--O 1.222 -0.392 0 C-N-CA 127.132 2.173 . . . . 0.0 110.389 -176.445 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 . . . . . 0 CA--C 1.551 1.018 0 O-C-N 120.906 -1.122 . . . . 0.0 113.076 174.213 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -166.05 -161.61 15.5 Favored Glycine 0 CA--C 1.533 1.211 0 N-CA-C 116.562 1.385 . . . . 0.0 116.562 169.523 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -148.66 163.15 38.16 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.671 1.588 . . . . 0.0 112.101 -179.259 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.6 t -159.71 -176.56 5.8 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 126.066 1.746 . . . . 0.0 110.764 169.06 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 72.6 p -142.34 169.34 17.77 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 126.208 1.803 . . . . 0.0 110.696 173.744 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.2 t -157.38 150.33 23.42 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 121.357 -0.84 . . . . 0.0 111.551 172.105 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -76.59 118.75 19.55 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 167.245 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -138.35 175.9 9.17 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.887 1.675 . . . . 0.0 111.997 178.412 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.9 p -80.19 -40.16 19.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 O-C-N 121.1 -1.0 . . . . 0.0 111.056 169.352 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.42 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 3.8 t70 172.16 -160.01 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 131.405 3.882 . . . . 0.0 106.929 -177.545 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.75 -22.2 2.0 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 120.233 -1.542 . . . . 0.0 114.424 170.44 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.34 -4.85 15.9 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 121.019 -1.05 . . . . 0.0 113.567 174.108 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.1 m -137.06 -36.93 0.66 Allowed 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.734 1.614 . . . . 0.0 112.32 172.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.2 -38.48 90.61 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.781 1.232 . . . . 0.0 110.913 176.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -73.67 2.77 7.45 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 178.587 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.89 19.03 4.15 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 120.48 -1.387 . . . . 0.0 111.878 174.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.5 t -120.74 -51.83 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 125.449 1.5 . . . . 0.0 109.995 177.591 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -61.27 -27.55 68.55 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 123.846 0.858 . . . . 0.0 113.014 176.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -56.09 -29.63 60.86 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.662 1.185 . . . . 0.0 113.197 175.468 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -84.78 -49.4 8.48 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.595 0.758 . . . . 0.0 110.732 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -63.37 -40.36 97.05 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.965 0.906 . . . . 0.0 112.033 179.262 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.12 -49.35 78.0 Favored 'General case' 0 N--CA 1.453 -0.311 0 O-C-N 121.306 -0.871 . . . . 0.0 111.845 177.137 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -65.18 -21.23 66.74 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 174.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -79.91 -30.26 40.02 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 119.515 1.052 . . . . 0.0 112.934 174.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -77.18 -35.33 55.96 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 167.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 119.82 -3.99 13.08 Favored Glycine 0 N--CA 1.438 -1.194 0 C-N-CA 128.925 3.155 . . . . 0.0 114.06 171.573 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.0 t -74.4 141.93 15.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 CA-C-N 118.857 1.329 . . . . 0.0 111.108 177.041 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -161.33 52.59 0.26 Allowed 'General case' 0 CA--C 1.544 0.749 0 CA-C-O 122.672 1.225 . . . . 0.0 112.383 169.326 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.26 -151.93 7.58 Favored Glycine 0 CA--C 1.539 1.545 0 C-N-CA 125.601 1.572 . . . . 0.0 115.425 177.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -68.04 113.23 5.55 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.016 1.327 . . . . 0.0 111.051 176.694 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 80.4 m95 -77.71 138.25 38.94 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 121.101 -1.0 . . . . 0.0 110.739 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -143.43 161.9 37.18 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 126.517 1.927 . . . . 0.0 110.491 -170.552 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -158.02 168.26 27.61 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.087 1.355 . . . . 0.0 111.439 -177.569 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -141.2 165.51 27.34 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.272 1.429 . . . . 0.0 112.094 173.451 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.447 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 28.9 t70 -124.37 1.04 8.37 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 -177.817 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -98.95 -32.13 11.47 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.456 1.502 . . . . 0.0 111.482 171.177 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.1 t -123.77 -1.91 8.37 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.381 1.073 . . . . 0.0 113.406 178.192 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.447 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 2.3 mmpt? 53.76 42.06 31.89 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.963 1.305 . . . . 0.0 112.919 169.147 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.8 m -118.72 109.89 16.62 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 125.836 1.654 . . . . 0.0 109.395 -171.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -64.18 164.04 11.6 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 122.489 1.138 . . . . 0.0 111.643 169.387 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.2 m -147.41 156.86 43.28 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 125.257 1.423 . . . . 0.0 107.722 169.357 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 15.0 p -141.53 109.48 2.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 126.378 1.871 . . . . 0.0 107.888 170.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 64.9 m . . . . . 0 N--CA 1.475 0.784 0 C-N-CA 123.193 0.597 . . . . 0.0 110.626 -170.573 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.5 mttp . . . . . 0 N--CA 1.477 0.883 0 CA-C-O 121.804 0.811 . . . . 0.0 111.892 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -126.14 140.68 47.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 C-N-CA 126.622 1.969 . . . . 0.0 108.885 173.391 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -91.34 148.16 22.53 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 126.565 1.946 . . . . 0.0 109.935 -178.237 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.569 HG13 ' HB3' ' A' ' 113' ' ' ALA . 0.7 OUTLIER -145.95 138.35 20.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.088 0.471 . . . . 0.0 111.419 171.11 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.314 0 N-CA-C 117.297 1.679 . . . . 0.0 117.297 177.406 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.447 0 N-CA-C 121.186 3.772 . . . . 0.0 121.186 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 57.9 m -57.75 -50.4 73.37 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 120.923 1.692 . . . . 0.0 114.595 -169.014 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 60.2 tt0 -70.69 -47.58 59.11 Favored 'General case' 0 C--N 1.341 0.233 0 CA-C-N 119.085 0.857 . . . . 0.0 110.559 -177.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.9 pp -60.93 -34.5 74.81 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 118.939 0.79 . . . . 0.0 112.045 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -59.75 -45.2 92.97 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 119.011 0.823 . . . . 0.0 112.515 172.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.86 -36.45 75.53 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 119.788 1.176 . . . . 0.0 112.736 172.182 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.5 -44.31 97.31 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 124.268 1.027 . . . . 0.0 111.543 -179.313 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.526 ' CE2' HG11 ' A' ' 115' ' ' VAL . 15.3 m-85 -69.35 -65.18 0.74 Allowed 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 125.022 1.329 . . . . 0.0 111.768 173.442 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.409 ' HA2' ' O ' ' A' ' 98' ' ' GLY . . . -52.97 -21.69 10.77 Favored Glycine 0 CA--C 1.546 2.007 0 N-CA-C 115.958 1.143 . . . . 0.0 115.958 -176.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -55.14 -50.73 68.52 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.123 1.769 . . . . 0.0 113.089 168.631 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -66.94 -40.86 87.68 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.822 0.849 . . . . 0.0 110.903 176.549 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.409 ' O ' ' HA2' ' A' ' 95' ' ' GLY . . . -176.77 166.75 37.75 Favored Glycine 0 N--CA 1.477 1.424 0 CA-C-O 118.485 -1.175 . . . . 0.0 114.575 169.328 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -67.18 130.07 21.9 Favored 'Trans proline' 0 CA--C 1.535 0.528 0 CA-C-N 121.599 2.699 . . . . 0.0 113.813 -169.507 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.574 HD13 ' CG2' ' A' ' 103' ' ' VAL . 18.9 mt -71.23 144.34 50.11 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.011 1.724 . . . . 0.0 112.187 174.568 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 45.0 ttm180 -94.85 -34.14 12.57 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.78 1.632 . . . . 0.0 111.165 169.263 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 88.0 p -153.86 154.76 34.49 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.491 1.116 . . . . 0.0 112.248 173.555 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.574 ' CG2' HD13 ' A' ' 100' ' ' LEU . 67.5 t -140.77 131.79 28.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 125.29 1.436 . . . . 0.0 108.635 172.221 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 76.1 t90 -139.96 148.91 42.62 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 125.713 1.605 . . . . 0.0 110.484 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.9 m -142.77 151.44 17.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 C-N-CA 125.96 1.704 . . . . 0.0 107.373 175.5 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.722 0 N-CA-C 116.116 1.895 . . . . 0.0 116.116 -168.494 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.544 0.746 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.569 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -164.28 172.35 13.66 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 -167.03 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -147.26 146.17 29.68 Favored 'General case' 0 N--CA 1.482 1.128 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 175.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.526 HG11 ' CE2' ' A' ' 94' ' ' PHE . 18.1 m -141.49 170.26 13.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 124.259 1.024 . . . . 0.0 112.678 -175.827 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -144.85 148.8 34.39 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 120.97 -1.081 . . . . 0.0 109.719 168.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -113.05 158.75 19.92 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.348 1.459 . . . . 0.0 112.368 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -64.35 -41.81 96.56 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 177.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -110.5 126.1 29.53 Favored Pre-proline 0 CA--C 1.545 0.771 0 C-N-CA 124.786 1.234 . . . . 0.0 108.934 175.502 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -50.26 -25.65 13.9 Favored 'Trans proline' 0 CA--C 1.539 0.726 0 C-N-CA 123.541 2.827 . . . . 0.0 114.446 169.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.06 -28.18 62.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.164 0.986 . . . . 0.0 113.201 171.435 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -66.34 -45.43 80.25 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 119.715 1.143 . . . . 0.0 109.342 169.219 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.88 -37.41 82.05 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 118.716 -0.659 . . . . 0.0 112.18 172.738 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.73 -46.99 73.68 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 119.822 1.192 . . . . 0.0 112.754 175.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -56.01 -45.56 79.04 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 118.921 0.782 . . . . 0.0 110.964 171.607 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.42 -57.65 7.8 Favored 'General case' 0 C--O 1.221 -0.425 0 C-N-CA 123.333 0.653 . . . . 0.0 110.446 -178.418 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 41.7 t -53.76 -42.46 52.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 124.773 1.229 . . . . 0.0 112.184 178.008 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.11 -11.86 58.52 Favored 'General case' 0 N--CA 1.48 1.025 0 N-CA-C 114.336 1.235 . . . . 0.0 114.336 -176.273 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -112.76 -19.01 12.17 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 176.645 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 74.1 mt -89.67 -30.74 17.88 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.423 1.889 . . . . 0.0 112.541 169.713 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 13.8 p30 4.09 -48.24 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.395 1 C-N-CA 134.079 4.951 . . . . 0.0 120.167 -174.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 179.07 40.91 0.07 OUTLIER Glycine 0 CA--C 1.531 1.089 0 C-N-CA 129.148 3.261 . . . . 0.0 112.382 171.08 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 25.3 mmt85 -67.7 -84.05 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 125.231 1.412 . . . . 0.0 112.346 -174.573 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 3.3 m 177.62 140.38 0.08 Allowed 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 131.411 3.884 . . . . 0.0 105.51 178.091 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -167.77 141.1 3.34 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 105.538 -2.023 . . . . 0.0 105.538 -170.043 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 74.4 m 58.59 -29.26 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 127.019 2.128 . . . . 0.0 115.564 -169.092 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 144.88 2.65 0.73 Allowed Glycine 0 CA--C 1.529 0.911 0 C-N-CA 126.247 1.879 . . . . 0.0 115.67 169.299 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -128.39 177.85 6.68 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.742 1.217 . . . . 0.0 111.351 -177.698 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.74 90.71 1.87 Allowed 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.301 1.44 . . . . 0.0 109.529 -177.787 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 6.1 p -67.34 168.24 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 126.63 1.972 . . . . 0.0 109.159 177.082 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -156.58 126.6 6.42 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 126.956 2.102 . . . . 0.0 106.568 172.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 98.0 t -132.15 128.2 58.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 -174.595 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -140.42 178.14 7.52 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.822 0.849 . . . . 0.0 110.897 -169.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 20.3 tp -78.9 139.32 38.32 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 120.359 -1.463 . . . . 0.0 109.044 168.52 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 48.3 t . . . . . 0 N--CA 1.473 0.69 0 C-N-CA 123.867 0.867 . . . . 0.0 111.252 175.515 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 . . . . . 0 CA--C 1.544 0.747 0 CA-C-O 120.879 0.371 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.479 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 86.1 m-85 -126.1 157.81 37.08 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 127.277 2.231 . . . . 0.0 108.882 -177.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -114.42 163.2 15.66 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.733 1.213 . . . . 0.0 112.074 -176.12 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.517 HD22 ' N ' ' A' ' 6' ' ' ILE . 0.1 OUTLIER -149.63 127.88 12.1 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 126.296 1.838 . . . . 0.0 111.612 179.58 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.517 ' N ' HD22 ' A' ' 5' ' ' LEU . 1.4 mp -109.69 108.17 24.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 126.153 1.781 . . . . 0.0 110.831 176.066 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.455 HD23 ' CG1' ' A' ' 54' ' ' VAL . 16.2 mt -83.99 58.97 4.99 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 128.75 2.82 . . . . 0.0 111.734 176.38 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.417 ' HA ' ' HB2' ' A' ' 13' ' ' LYS . 4.4 t-20 . . . . . 0 C--N 1.329 -0.285 0 O-C-N 120.945 -1.097 . . . . 0.0 111.144 178.27 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.417 ' HB2' ' HA ' ' A' ' 8' ' ' ASN . 0.0 OUTLIER . . . . . 0 CA--C 1.516 -0.347 0 CA-C-O 121.267 0.556 . . . . 0.0 111.856 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -176.1 -161.78 25.84 Favored Glycine 0 CA--C 1.522 0.508 0 CA-C-N 114.647 -1.161 . . . . 0.0 115.458 168.761 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -156.82 155.55 31.72 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.414 1.086 . . . . 0.0 112.389 -174.412 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.9 t -151.42 -173.66 4.58 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.96 1.304 . . . . 0.0 109.704 174.381 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 66.9 p -142.06 173.38 11.57 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.299 1.44 . . . . 0.0 110.846 176.082 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.6 t -158.59 149.33 20.25 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 121.293 -0.879 . . . . 0.0 111.416 173.173 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 47.4 tp10 -75.06 118.23 17.78 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 107.002 -1.481 . . . . 0.0 107.002 167.143 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.421 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -137.22 176.91 8.28 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.616 1.567 . . . . 0.0 112.1 178.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 55.4 t -84.43 -38.82 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 O-C-N 121.546 -0.721 . . . . 0.0 111.629 171.688 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.479 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 2.4 t70 174.58 -156.61 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 130.819 3.648 . . . . 0.0 106.9 173.571 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.82 -21.01 2.51 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 120.468 -1.395 . . . . 0.0 113.616 169.34 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.55 -7.61 27.47 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.931 1.292 . . . . 0.0 113.814 173.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.421 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 49.8 m -135.48 -37.73 0.76 Allowed 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.84 1.656 . . . . 0.0 111.935 175.429 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.69 -39.66 94.87 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.177 1.391 . . . . 0.0 110.601 176.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -74.44 3.48 7.47 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 114.795 1.406 . . . . 0.0 114.795 178.052 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.34 18.45 4.42 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 120.368 -1.458 . . . . 0.0 111.821 173.215 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.5 t -119.87 -51.34 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 125.414 1.486 . . . . 0.0 109.777 177.168 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -61.75 -27.06 68.46 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 123.801 0.841 . . . . 0.0 112.66 177.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -56.18 -32.42 64.33 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.789 1.236 . . . . 0.0 113.202 175.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -81.36 -47.8 12.79 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.335 0.654 . . . . 0.0 110.788 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -66.23 -37.5 85.69 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.403 1.081 . . . . 0.0 112.101 179.28 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.38 -47.86 84.26 Favored 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 121.137 -0.977 . . . . 0.0 112.003 177.165 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 -67.02 -18.74 65.5 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 113.599 0.963 . . . . 0.0 113.599 175.45 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -80.91 -29.68 35.53 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.426 1.012 . . . . 0.0 113.127 171.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -77.42 -34.01 54.8 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.794 -0.566 . . . . 0.0 109.474 168.525 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.56 7.14 43.02 Favored Glycine 0 N--CA 1.44 -1.075 0 C-N-CA 127.989 2.709 . . . . 0.0 113.908 175.542 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.437 ' HB ' HD22 ' A' ' 7' ' ' LEU . 21.5 t -83.35 149.26 4.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-N 117.651 0.725 . . . . 0.0 110.117 170.584 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -160.69 46.1 0.21 Allowed 'General case' 0 CA--C 1.549 0.907 0 CA-C-O 122.922 1.344 . . . . 0.0 110.977 170.554 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.1 -151.32 0.84 Allowed Glycine 0 CA--C 1.539 1.591 0 C-N-CA 126.219 1.866 . . . . 0.0 117.641 178.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -68.45 93.01 0.46 Allowed 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 125.73 1.612 . . . . 0.0 112.431 -175.151 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 76.4 m95 -66.96 109.49 2.98 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 119.363 -2.085 . . . . 0.0 110.637 -174.318 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.6 m -128.0 160.59 31.45 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 127.116 2.167 . . . . 0.0 109.134 -170.668 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -149.08 163.07 38.61 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 126.098 1.759 . . . . 0.0 109.985 179.076 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -135.0 125.74 27.17 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 125.243 1.417 . . . . 0.0 108.437 171.247 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.491 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.8 OUTLIER -85.11 -7.64 59.0 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 -173.332 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -101.76 -28.65 12.33 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.304 1.442 . . . . 0.0 112.223 -177.557 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.8 t -113.37 1.85 15.26 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.656 0.783 . . . . 0.0 112.888 171.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.491 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 4.3 mmpt? 53.81 40.07 31.09 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 126.277 1.831 . . . . 0.0 112.869 169.723 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 57.6 m -124.58 112.9 17.36 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.852 1.261 . . . . 0.0 110.483 -169.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -67.31 158.52 31.36 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.847 1.259 . . . . 0.0 111.278 169.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 37.8 m -147.96 151.76 36.35 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.089 1.356 . . . . 0.0 107.71 169.651 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.455 ' CG1' HD23 ' A' ' 7' ' ' LEU 0.289 10.6 p -147.09 58.76 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 CA-C-O 123.272 1.51 . . . . 0.0 112.752 -171.803 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.6 m . . . . . 0 N--CA 1.476 0.835 0 C-N-CA 126.96 2.104 . . . . 0.0 114.295 -173.169 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.728 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.3 t -120.55 128.36 76.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 C-N-CA 126.6 1.96 . . . . 0.0 108.162 178.735 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -85.76 143.86 28.09 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 124.221 1.008 . . . . 0.0 109.337 171.6 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.469 HG13 ' HB3' ' A' ' 113' ' ' ALA . 0.9 OUTLIER -149.67 138.4 15.0 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.276 0 CA-C-O 121.662 0.744 . . . . 0.0 112.45 175.498 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.698 0 N-CA-C 108.479 -1.848 . . . . 0.0 108.479 167.998 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.5 ptpt . . . . . 0 N--CA 1.47 0.545 0 N-CA-C 115.712 1.745 . . . . 0.0 115.712 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 90.0 m -47.34 -62.43 1.43 Allowed 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 125.06 1.344 . . . . 0.0 113.495 -169.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.16 -55.76 16.8 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.27 -174.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.436 HD12 ' N ' ' A' ' 91' ' ' GLU . 3.5 pp -64.72 -34.45 78.35 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 120.251 -0.58 . . . . 0.0 111.732 -171.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.436 ' N ' HD12 ' A' ' 90' ' ' LEU . 30.0 tt0 -61.13 -49.98 75.08 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 119.551 1.069 . . . . 0.0 111.378 176.158 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.26 -34.25 77.57 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 118.983 -1.087 . . . . 0.0 111.866 174.008 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.21 -43.44 91.54 Favored 'General case' 0 C--O 1.222 -0.38 0 C-N-CA 123.905 0.882 . . . . 0.0 112.007 -178.585 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.498 ' CD2' HG11 ' A' ' 115' ' ' VAL . 18.0 m-85 -67.89 -63.65 1.02 Allowed 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 125.061 1.344 . . . . 0.0 111.078 174.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -56.08 -21.71 32.74 Favored Glycine 0 CA--C 1.546 2.021 0 N-CA-C 115.764 1.065 . . . . 0.0 115.764 -177.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -54.74 -51.16 66.52 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.854 1.662 . . . . 0.0 113.094 168.71 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -66.31 -40.84 90.24 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.197 0.599 . . . . 0.0 110.578 176.091 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -176.62 158.92 25.4 Favored Glycine 0 N--CA 1.479 1.523 0 CA-C-O 118.259 -1.301 . . . . 0.0 114.394 169.364 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -57.41 138.79 87.85 Favored 'Trans proline' 0 CA--C 1.536 0.614 0 CA-C-N 121.773 2.787 . . . . 0.0 115.877 -169.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.451 HD13 ' CG2' ' A' ' 103' ' ' VAL . 15.2 mt -83.89 158.23 21.69 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 126.199 1.799 . . . . 0.0 112.721 177.474 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 38.6 mtm-85 -109.31 -31.21 7.64 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 126.01 1.724 . . . . 0.0 112.118 169.001 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.5 t -155.55 149.64 25.64 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.241 1.017 . . . . 0.0 111.731 176.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.451 ' CG2' HD13 ' A' ' 100' ' ' LEU . 81.0 t -139.78 129.67 29.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 125.517 1.527 . . . . 0.0 108.791 172.401 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 79.4 t90 -136.17 150.58 49.1 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 126.054 1.742 . . . . 0.0 110.179 173.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 5.7 m -142.26 151.76 18.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 C-N-CA 123.699 0.799 . . . . 0.0 110.739 174.544 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.501 0 CA-C-O 121.623 0.725 . . . . 0.0 110.586 174.484 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.54 0.569 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.469 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -165.76 174.02 10.1 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.921 1.288 . . . . 0.0 114.069 -168.276 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -148.85 147.47 28.76 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 172.055 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.498 HG11 ' CD2' ' A' ' 94' ' ' PHE . 16.5 m -135.34 173.75 13.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 O-C-N 121.193 -0.942 . . . . 0.0 112.547 177.768 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -146.67 140.18 25.79 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.602 1.161 . . . . 0.0 108.599 169.254 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.453 ' HB2' ' HB2' ' A' ' 123' ' ' ALA . 35.5 m-85 -105.81 160.65 15.07 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.615 1.166 . . . . 0.0 113.078 -176.621 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -66.52 -27.11 67.51 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 173.548 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -141.12 123.58 9.53 Favored Pre-proline 0 CA--C 1.55 0.949 0 C-N-CA 124.331 1.053 . . . . 0.0 111.75 -173.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.74 -30.6 57.25 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 124.739 3.626 . . . . 0.0 115.456 176.131 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 23.2 ttp-105 -56.88 -48.52 77.97 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-N 119.799 1.181 . . . . 0.0 110.669 171.395 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -76.97 -34.66 57.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.858 -174.483 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.453 ' HB2' ' HB2' ' A' ' 117' ' ' PHE . . . -58.91 -47.03 86.43 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.342 0.657 . . . . 0.0 111.469 169.769 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.86 -49.69 69.54 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.55 0.74 . . . . 0.0 111.259 -179.02 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -70.43 -30.09 66.85 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 119.07 0.85 . . . . 0.0 112.974 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.21 -54.1 48.53 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 121.774 -0.579 . . . . 0.0 110.422 169.729 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 40.0 t -52.7 -42.45 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 124.779 1.232 . . . . 0.0 111.939 173.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -67.95 -23.35 65.05 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 127.195 2.198 . . . . 0.0 113.65 -179.178 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -106.1 -38.65 6.22 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.159 0.984 . . . . 0.0 113.42 178.132 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 32.6 mt -66.6 -40.19 88.76 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.724 1.61 . . . . 0.0 114.369 -177.445 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -58.08 142.82 45.74 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 115.923 1.823 . . . . 0.0 115.923 -169.035 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 74.13 -63.03 2.11 Favored Glycine 0 CA--C 1.531 1.087 0 C-N-CA 126.462 1.982 . . . . 0.0 116.992 169.497 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . 0.26 0.0 OUTLIER -74.36 38.57 0.11 Allowed 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 127.856 2.462 . . . . 0.0 117.452 -167.833 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 97.2 m 72.83 143.58 0.07 Allowed 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 127.008 2.123 . . . . 0.0 113.78 170.121 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 36.9 tp -142.6 -64.68 0.41 Allowed 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.355 0.662 . . . . 0.0 111.945 173.74 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 24.5 m -74.09 -27.43 60.89 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 119.307 0.958 . . . . 0.0 113.435 171.232 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 131.0 35.66 0.38 Allowed Glycine 0 CA--C 1.536 1.393 0 N-CA-C 117.032 1.573 . . . . 0.0 117.032 169.573 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 37.8 t -143.74 -75.99 0.24 Allowed 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 119.054 1.427 . . . . 0.0 109.093 178.41 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 70.0 mtp180 -148.23 162.56 39.22 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 127.64 2.376 . . . . 0.0 109.88 169.654 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 78.9 t -127.8 150.76 33.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 126.557 1.943 . . . . 0.0 109.219 169.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.65 97.18 2.59 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.612 1.565 . . . . 0.0 110.091 175.445 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 48.5 t -122.49 133.32 69.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 126.084 1.754 . . . . 0.0 110.678 -168.732 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -145.02 167.75 21.92 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.172 0.989 . . . . 0.0 111.713 -176.4 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 22.1 tp -79.94 139.09 37.2 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 167.611 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 N--CA 1.468 0.446 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 -172.526 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 . . . . . 0 CA--C 1.549 0.909 0 CA-C-O 120.859 0.361 . . . . 0.0 111.565 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.486 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 83.2 m-85 -126.07 157.53 37.73 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 127.799 2.44 . . . . 0.0 108.914 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -111.36 162.57 14.9 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.079 1.352 . . . . 0.0 111.745 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.589 HD22 ' HB3' ' A' ' 30' ' ' PHE . 14.6 tp -143.64 140.88 30.33 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 126.782 2.033 . . . . 0.0 111.252 173.682 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mp -119.9 106.95 19.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 126.408 1.883 . . . . 0.0 109.403 172.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.51 HD21 HD21 ' A' ' 5' ' ' LEU . 73.9 mt -77.54 75.24 4.09 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 126.285 1.834 . . . . 0.0 109.258 169.158 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 . . . . . 0 CA--C 1.562 1.409 0 C-N-CA 125.599 1.56 . . . . 0.0 114.302 172.485 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.718 0 N-CA-C 120.248 3.425 . . . . 0.0 120.248 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -175.57 -166.22 32.81 Favored Glycine 0 CA--C 1.528 0.895 0 N-CA-C 117.058 1.583 . . . . 0.0 117.058 169.266 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -130.69 163.23 27.69 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 118.913 1.357 . . . . 0.0 113.792 -168.521 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.4 t -157.5 -176.61 6.05 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.553 1.541 . . . . 0.0 110.777 169.525 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.1 p -143.14 169.5 17.47 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 126.352 1.861 . . . . 0.0 110.538 174.634 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.8 t -157.93 149.2 21.31 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.27 -0.893 . . . . 0.0 111.76 172.592 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.0 tp10 -75.08 119.11 18.79 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 106.955 -1.498 . . . . 0.0 106.955 167.131 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.421 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -138.75 175.99 9.08 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.529 1.531 . . . . 0.0 112.453 178.649 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 49.4 t -83.69 -39.07 14.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 O-C-N 121.426 -0.796 . . . . 0.0 111.752 171.155 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.486 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 3.3 t70 173.63 -155.9 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 131.272 3.829 . . . . 0.0 106.656 174.278 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.5 -19.79 2.49 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 120.625 1.557 . . . . 0.0 113.874 169.572 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.44 -7.49 19.86 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.559 1.144 . . . . 0.0 113.674 172.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.421 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 54.9 m -137.56 -38.26 0.6 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.993 1.717 . . . . 0.0 112.095 175.851 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.43 -38.95 88.54 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.019 1.328 . . . . 0.0 110.914 177.61 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -74.97 4.36 6.73 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 177.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.406 ' HE3' HG23 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -131.97 19.42 4.55 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 125.172 1.389 . . . . 0.0 111.546 171.198 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.406 HG23 ' HE3' ' A' ' 28' ' ' LYS . 3.5 t -119.92 -51.37 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 124.875 1.27 . . . . 0.0 110.3 176.265 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.589 ' HB3' HD22 ' A' ' 5' ' ' LEU . 23.4 m-85 -60.92 -26.89 67.8 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.303 0.482 . . . . 0.0 112.303 176.515 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -54.53 -32.29 57.94 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.833 1.253 . . . . 0.0 113.0 171.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -77.53 -51.13 11.22 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 118.589 0.631 . . . . 0.0 110.848 176.254 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 94.0 t80 -60.11 -43.78 95.35 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 124.089 0.955 . . . . 0.0 112.336 -178.536 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.93 -49.85 74.37 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.964 0.906 . . . . 0.0 110.745 176.609 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -67.4 -23.83 65.6 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 178.379 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . 0.324 1.4 p30 -87.39 -15.29 38.25 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 120.282 1.401 . . . . 0.0 114.069 175.489 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -84.0 -46.98 11.46 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 166.051 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 133.46 -0.63 4.29 Favored Glycine 0 CA--C 1.541 1.693 0 C-N-CA 128.936 3.16 . . . . 0.0 115.627 172.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.1 t -77.72 155.23 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 125.063 1.345 . . . . 0.0 112.763 176.045 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -166.25 39.78 0.05 Allowed 'General case' 0 CA--C 1.559 1.32 0 C-N-CA 125.141 1.376 . . . . 0.0 111.729 169.553 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.92 -145.4 0.49 Allowed Glycine 0 CA--C 1.544 1.903 0 N-CA-C 118.11 2.004 . . . . 0.0 118.11 -176.462 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -72.16 89.07 1.15 Allowed 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.888 1.675 . . . . 0.0 112.44 -177.07 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 90.2 m95 -65.55 112.59 3.68 Favored 'General case' 0 C--O 1.236 0.344 0 O-C-N 120.058 -1.651 . . . . 0.0 110.543 -176.437 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 38.9 m -132.91 160.56 36.66 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 127.465 2.306 . . . . 0.0 108.559 -169.647 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -156.68 165.54 35.97 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.168 1.387 . . . . 0.0 111.097 -171.074 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -143.24 157.06 44.82 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.399 1.88 . . . . 0.0 110.494 -174.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.416 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 28.1 t70 -127.79 1.43 6.06 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 -176.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -88.73 -30.58 18.97 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.506 1.122 . . . . 0.0 109.949 169.277 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -130.96 -7.57 3.93 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 -174.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.416 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 1.2 mmpt? 60.38 46.13 10.28 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.268 1.827 . . . . 0.0 112.56 178.53 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 82.1 m -119.58 110.99 17.52 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.022 0.929 . . . . 0.0 111.534 -172.025 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -64.97 157.56 27.9 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.817 0.847 . . . . 0.0 111.332 169.229 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 35.3 m -147.59 149.58 32.82 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.237 1.415 . . . . 0.0 108.202 171.445 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.441 ' CG1' HD23 ' A' ' 7' ' ' LEU 0.269 14.5 p -148.33 79.24 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 CA-C-O 123.179 1.466 . . . . 0.0 111.61 -175.538 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.4 m . . . . . 0 N--CA 1.473 0.677 0 C-N-CA 125.274 1.43 . . . . 0.0 111.873 -176.727 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 40.2 mmtm . . . . . 0 CA--C 1.531 0.226 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 63.6 t -130.74 139.15 51.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 124.635 1.174 . . . . 0.0 111.12 -170.61 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -93.2 147.77 22.6 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 126.412 1.885 . . . . 0.0 110.032 169.353 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.489 HG13 ' HB3' ' A' ' 113' ' ' ALA . 0.4 OUTLIER -147.85 131.35 8.6 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.296 0 CA-C-O 121.431 0.634 . . . . 0.0 111.144 169.66 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.892 0 O-C-N 121.298 -0.876 . . . . 0.0 114.335 -179.822 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 20.1 pttp . . . . . 0 C--O 1.217 -0.639 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 21.7 m -43.5 -57.9 2.88 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 126.306 1.842 . . . . 0.0 114.132 -170.303 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.77 -59.36 4.66 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 122.578 0.351 . . . . 0.0 110.682 -177.704 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.1 pp -63.03 -33.66 75.91 Favored 'General case' 0 C--O 1.218 -0.568 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -175.056 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -58.83 -48.37 81.56 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 126.418 1.887 . . . . 0.0 111.419 175.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -34.43 70.97 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 118.413 -0.803 . . . . 0.0 112.127 172.423 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.0 -39.42 92.18 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 119.419 1.009 . . . . 0.0 111.701 178.305 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.502 ' CD2' HG21 ' A' ' 115' ' ' VAL . 11.1 m-85 -75.26 -62.08 1.68 Allowed 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 126.317 1.847 . . . . 0.0 111.747 176.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -63.68 -13.52 51.66 Favored Glycine 0 CA--C 1.544 1.858 0 N-CA-C 115.293 0.877 . . . . 0.0 115.293 -178.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -54.98 -48.35 73.38 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 118.999 1.399 . . . . 0.0 111.662 167.385 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -65.5 -47.74 74.96 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.495 0.718 . . . . 0.0 109.544 172.346 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 176.14 160.46 23.56 Favored Glycine 0 N--CA 1.478 1.444 0 N-CA-C 115.652 1.021 . . . . 0.0 115.652 169.113 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -47.58 139.13 18.38 Favored 'Trans proline' 0 CA--C 1.537 0.65 0 C-N-CA 124.079 3.186 . . . . 0.0 116.718 -168.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.464 HD22 HG22 ' A' ' 103' ' ' VAL . 0.2 OUTLIER -117.93 150.89 38.47 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.844 1.257 . . . . 0.0 113.373 173.537 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -94.45 -37.92 11.19 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 127.068 2.147 . . . . 0.0 112.723 -169.594 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.1 m -140.58 144.38 35.82 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.855 1.262 . . . . 0.0 110.415 175.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.464 HG22 HD22 ' A' ' 100' ' ' LEU . 1.8 t -143.29 131.43 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 125.436 1.494 . . . . 0.0 107.169 -178.407 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 85.1 t90 -147.1 147.91 31.06 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.998 0.919 . . . . 0.0 112.257 -168.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 1.4 m -141.97 153.11 18.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 O-C-N 121.593 -0.692 . . . . 0.0 109.604 169.149 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.654 0 N-CA-C 114.584 1.327 . . . . 0.0 114.584 -170.758 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.545 0.766 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.489 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -164.36 178.28 7.61 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 114.927 1.454 . . . . 0.0 114.927 -165.773 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -147.22 166.11 28.0 Favored 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 176.567 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.502 HG21 ' CD2' ' A' ' 94' ' ' PHE . 1.5 t -152.06 165.84 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 C-N-CA 126.439 1.896 . . . . 0.0 112.919 -173.474 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 56.4 tt0 -140.88 117.01 10.57 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 127.684 2.393 . . . . 0.0 108.105 167.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.4 ' CZ ' ' HB3' ' A' ' 94' ' ' PHE . 33.8 m-85 -79.58 159.0 27.0 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 119.692 1.133 . . . . 0.0 113.025 173.731 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -71.86 -19.25 61.99 Favored 'General case' 0 CA--C 1.548 0.875 0 O-C-N 121.455 -0.778 . . . . 0.0 112.151 174.325 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -137.67 124.78 13.68 Favored Pre-proline 0 CA--C 1.549 0.908 0 C-N-CA 126.975 2.11 . . . . 0.0 108.895 179.088 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -60.27 -24.84 78.56 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 122.651 2.234 . . . . 0.0 113.522 177.207 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -70.88 -31.33 67.96 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.049 0.84 . . . . 0.0 111.904 171.314 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -70.63 -40.1 73.3 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 120.004 1.275 . . . . 0.0 111.813 169.56 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.45 -43.0 83.57 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 119.152 0.887 . . . . 0.0 111.577 169.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.07 -48.75 75.0 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.163 0.585 . . . . 0.0 112.413 176.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -59.62 -42.34 92.47 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.288 1.035 . . . . 0.0 112.473 176.262 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.39 -54.97 24.44 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 118.83 -0.605 . . . . 0.0 109.694 177.177 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 37.5 t -50.89 -48.36 28.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 124.373 1.069 . . . . 0.0 112.472 175.659 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 7.1 ppt_? -69.45 -22.1 63.67 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 -176.634 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -111.27 -9.95 14.28 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 178.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 39.4 mt -90.02 -45.09 9.41 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.49 1.516 . . . . 0.0 112.499 172.118 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -61.43 130.05 44.15 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 113.704 1.002 . . . . 0.0 113.704 -169.584 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 65.43 38.39 94.83 Favored Glycine 0 CA--C 1.533 1.193 0 CA-C-O 119.129 -0.817 . . . . 0.0 114.533 169.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 22.7 mmt-85 -118.02 -56.97 2.14 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-N 118.28 1.04 . . . . 0.0 113.734 -173.133 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 16.9 m 138.07 128.08 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.13 1 C-N-CA 132.756 4.422 . . . . 0.0 107.859 -171.68 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -161.64 135.99 6.95 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 104.339 -2.467 . . . . 0.0 104.339 174.549 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 10.9 t 61.52 -62.91 0.09 Allowed 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 126.287 1.835 . . . . 0.0 111.027 -167.568 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 173.65 27.97 0.03 OUTLIER Glycine 0 CA--C 1.53 1.002 0 C-N-CA 124.926 1.251 . . . . 0.0 115.02 168.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -140.4 -169.75 2.84 Favored 'General case' 0 CA--C 1.55 0.975 0 CA-C-N 118.237 1.018 . . . . 0.0 112.37 -169.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.21 3.97 19.03 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 114.843 1.423 . . . . 0.0 114.843 -168.713 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . 0.27 3.6 p 36.34 70.79 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 128.748 2.819 . . . . 0.0 111.815 174.297 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.15 89.25 0.18 Allowed 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.774 2.029 . . . . 0.0 110.625 176.5 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 95.8 t -123.64 127.48 74.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 -171.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -153.24 167.75 28.28 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 121.211 -0.93 . . . . 0.0 111.869 -171.699 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 84.0 mt -75.51 134.2 40.84 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 120.514 -1.366 . . . . 0.0 109.245 169.201 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.467 0.4 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 -172.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 . . . . . 0 CA--C 1.544 0.715 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.455 ' CD1' ' HB3' ' A' ' 20' ' ' ALA . 57.5 m-85 -125.14 159.73 30.8 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 127.72 2.408 . . . . 0.0 108.828 -178.454 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -111.24 160.81 16.63 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.941 1.296 . . . . 0.0 111.53 -179.496 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.499 HD11 ' HG ' ' A' ' 7' ' ' LEU . 1.1 tm? -146.27 137.22 24.35 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 126.202 1.801 . . . . 0.0 110.872 175.049 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mp -112.4 121.0 63.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 126.368 1.867 . . . . 0.0 110.767 172.13 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.499 ' HG ' HD11 ' A' ' 5' ' ' LEU . 3.1 mp -87.75 66.48 8.85 Favored 'General case' 0 C--O 1.223 -0.301 0 C-N-CA 127.131 2.172 . . . . 0.0 109.87 178.083 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.405 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 14.4 t30 . . . . . 0 CA--C 1.553 1.094 0 C-N-CA 127.095 2.158 . . . . 0.0 115.185 -173.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.235 0.311 0 N-CA-C 117.275 2.324 . . . . 0.0 117.275 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -168.65 -152.48 7.72 Favored Glycine 0 CA--C 1.527 0.806 0 CA-C-N 113.959 -1.473 . . . . 0.0 116.573 170.533 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -156.75 157.21 34.67 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.728 1.611 . . . . 0.0 112.318 -179.58 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.7 t -155.65 -173.82 4.7 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 126.054 1.742 . . . . 0.0 109.749 176.13 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 54.6 p -140.61 169.74 17.08 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.703 1.601 . . . . 0.0 110.609 176.218 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.595 HG21 ' CG1' ' A' ' 29' ' ' VAL . 3.6 t -153.9 151.47 29.51 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.989 0.916 . . . . 0.0 111.456 178.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -80.94 122.79 27.69 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 168.178 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.455 ' HB3' ' CD1' ' A' ' 3' ' ' TYR . . . -143.71 172.57 12.64 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.697 1.199 . . . . 0.0 114.159 -178.815 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.8 t -97.38 -15.72 7.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 124.302 1.041 . . . . 0.0 112.689 175.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.453 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR 0.253 3.4 t70 150.54 -157.67 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.554 1 C-N-CA 133.817 4.847 . . . . 0.0 107.329 173.615 . . . . . . . . 4 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.53 -20.57 3.04 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 120.982 1.719 . . . . 0.0 114.016 171.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.33 -9.1 21.7 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.658 1.183 . . . . 0.0 113.677 172.444 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.422 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 85.9 m -136.14 -39.05 0.68 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.762 1.625 . . . . 0.0 112.395 176.602 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.457 ' HA ' HG12 ' A' ' 29' ' ' VAL . . . -67.6 -37.61 82.8 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.849 1.26 . . . . 0.0 110.754 179.242 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -74.73 3.14 8.46 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 177.141 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.87 20.88 3.52 Favored 'General case' 0 N--CA 1.464 0.244 0 O-C-N 120.669 -1.27 . . . . 0.0 112.003 175.776 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.595 ' CG1' HG21 ' A' ' 18' ' ' THR . 3.4 p -124.96 -41.55 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 124.248 1.019 . . . . 0.0 112.222 176.269 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.424 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.6 m-85 -67.95 -28.12 67.19 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 124.341 1.056 . . . . 0.0 113.026 173.491 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -55.27 -32.3 62.27 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.586 1.155 . . . . 0.0 113.054 175.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -81.93 -49.6 10.11 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.816 0.846 . . . . 0.0 110.492 179.266 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -62.04 -42.01 98.73 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.241 1.017 . . . . 0.0 112.137 -179.494 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.35 -49.84 75.99 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.884 0.874 . . . . 0.0 111.831 177.437 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -64.78 -22.99 67.1 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 175.242 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -79.47 -28.29 41.53 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 119.398 0.999 . . . . 0.0 113.034 176.422 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 52.4 m-80 -78.27 -42.48 30.87 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 167.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.91 -2.03 6.33 Favored Glycine 0 CA--C 1.533 1.174 0 C-N-CA 128.415 2.912 . . . . 0.0 115.269 169.585 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.1 t -75.91 140.66 16.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 CA-C-N 118.656 1.228 . . . . 0.0 110.023 176.23 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -161.29 62.48 0.27 Allowed 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 122.69 1.233 . . . . 0.0 113.54 168.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.403 ' H ' HG22 ' A' ' 54' ' ' VAL . . . -82.56 -153.75 13.37 Favored Glycine 0 CA--C 1.535 1.282 0 C-N-CA 125.495 1.522 . . . . 0.0 116.41 174.325 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.22 134.72 55.32 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.191 1.396 . . . . 0.0 109.948 170.679 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 75.7 m95 -99.34 120.09 39.01 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.989 0.915 . . . . 0.0 112.077 -177.571 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.83 159.46 23.03 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 127.889 2.476 . . . . 0.0 109.951 -173.638 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -156.38 165.61 35.82 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.138 1.375 . . . . 0.0 111.189 -176.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -145.59 160.61 41.4 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.452 1.901 . . . . 0.0 110.585 -175.74 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.434 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 29.6 t70 -129.67 0.33 4.91 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 -178.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -85.42 -28.73 24.9 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 121.575 -0.703 . . . . 0.0 110.648 169.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.2 p -134.15 -11.48 2.54 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.371 1.468 . . . . 0.0 113.064 -171.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.434 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 0.9 OUTLIER 63.18 45.8 4.93 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 126.191 1.796 . . . . 0.0 112.543 178.491 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 96.8 m -115.13 107.91 15.94 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.45 1.1 . . . . 0.0 111.776 -173.023 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -66.73 163.84 18.3 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 122.301 1.048 . . . . 0.0 110.69 168.245 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 51.6 m -148.57 154.23 39.47 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.093 1.357 . . . . 0.0 107.851 169.62 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.403 HG22 ' H ' ' A' ' 41' ' ' GLY . 12.8 p -133.81 105.28 7.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 C-N-CA 125.195 1.398 . . . . 0.0 109.759 172.43 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.405 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 79.2 m . . . . . 0 N--CA 1.475 0.813 0 C-N-CA 124.03 0.932 . . . . 0.0 112.1 -169.691 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.47 0.556 0 N-CA-C 110.592 -0.151 . . . . 0.0 110.592 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 92.5 t -103.11 135.22 41.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 124.131 0.972 . . . . 0.0 110.352 -170.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -93.35 149.91 20.87 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 124.765 1.226 . . . . 0.0 110.104 169.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.472 HG13 ' HB3' ' A' ' 113' ' ' ALA . 0.5 OUTLIER -151.9 145.43 15.92 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.281 0 CA-C-O 122.503 1.144 . . . . 0.0 112.241 171.734 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.83 0 N-CA-C 109.143 -1.583 . . . . 0.0 109.143 168.397 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.5 ptmm? . . . . . 0 N--CA 1.465 0.317 0 N-CA-C 115.804 1.779 . . . . 0.0 115.804 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.9 m -71.8 -34.75 69.63 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 116.108 1.892 . . . . 0.0 116.108 -167.408 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -68.48 -48.32 64.78 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 120.562 1.528 . . . . 0.0 110.732 175.41 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.4 pp -64.85 -33.82 76.92 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 119.57 -0.852 . . . . 0.0 111.82 176.461 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -57.99 -50.32 73.79 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.011 1.324 . . . . 0.0 112.12 175.451 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.6 -40.82 93.1 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 119.056 0.843 . . . . 0.0 110.878 174.111 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.21 -42.95 96.22 Favored 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 123.354 0.661 . . . . 0.0 111.795 -178.354 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.437 ' HB3' ' CZ ' ' A' ' 117' ' ' PHE . 11.7 m-85 -72.05 -62.77 1.31 Allowed 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 125.049 1.34 . . . . 0.0 112.104 175.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -56.31 -20.73 30.46 Favored Glycine 0 CA--C 1.545 1.948 0 N-CA-C 115.415 0.926 . . . . 0.0 115.415 -178.012 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -53.76 -51.14 64.34 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.796 1.638 . . . . 0.0 113.016 168.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -70.06 -40.75 74.87 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.647 0.779 . . . . 0.0 111.348 178.281 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -174.35 163.82 34.67 Favored Glycine 0 N--CA 1.472 1.098 0 CA-C-O 118.625 -1.097 . . . . 0.0 113.816 169.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -65.11 128.65 21.05 Favored 'Trans proline' 0 CA--C 1.533 0.442 0 CA-C-N 120.852 2.326 . . . . 0.0 114.36 -168.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.529 HD13 ' CG2' ' A' ' 103' ' ' VAL . 16.7 mt -65.04 154.31 38.15 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.506 1.522 . . . . 0.0 112.156 170.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -108.81 -31.11 7.82 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 126.432 1.893 . . . . 0.0 111.113 171.016 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 11.5 p -155.64 155.76 33.82 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.472 1.109 . . . . 0.0 111.565 168.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.529 ' CG2' HD13 ' A' ' 100' ' ' LEU . 67.6 t -138.3 135.38 44.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 125.281 1.432 . . . . 0.0 108.677 172.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 83.5 t90 -144.92 142.89 30.24 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 125.045 1.338 . . . . 0.0 111.342 -178.357 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.439 HG12 ' HB1' ' A' ' 113' ' ' ALA . 1.8 m -141.0 149.94 20.55 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 168.777 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.666 0 N-CA-C 116.284 1.957 . . . . 0.0 116.284 -169.198 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.552 1.027 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.472 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -170.33 174.81 5.1 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 125.686 1.594 . . . . 0.0 113.108 -167.718 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -147.83 150.2 33.73 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 113.234 0.827 . . . . 0.0 113.234 172.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.424 HG11 ' CD2' ' A' ' 94' ' ' PHE . 11.4 m -140.24 172.74 11.51 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.302 0 O-C-N 120.99 -1.069 . . . . 0.0 113.759 177.49 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -140.97 144.86 35.35 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 126.554 1.941 . . . . 0.0 108.504 171.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.437 ' CZ ' ' HB3' ' A' ' 94' ' ' PHE . 42.2 m-85 -116.04 158.27 23.4 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.352 1.061 . . . . 0.0 112.911 178.216 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 25.4 tp10 -74.49 -37.03 63.26 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -176.658 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -115.12 127.75 26.55 Favored Pre-proline 0 CA--C 1.544 0.744 0 C-N-CA 125.002 1.321 . . . . 0.0 107.804 169.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -49.09 -27.69 12.7 Favored 'Trans proline' 0 CA--C 1.537 0.671 0 C-N-CA 123.563 2.842 . . . . 0.0 114.698 169.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -26.81 65.42 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.064 0.946 . . . . 0.0 113.072 171.569 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -66.35 -47.26 74.03 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 119.473 1.033 . . . . 0.0 109.815 169.603 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.27 -39.84 88.25 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.207 0.603 . . . . 0.0 111.697 174.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.94 -48.52 73.8 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.496 0.719 . . . . 0.0 112.657 175.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -56.13 -45.9 79.41 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 119.228 0.922 . . . . 0.0 111.126 173.303 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.73 -58.25 8.77 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 124.164 0.985 . . . . 0.0 110.226 -179.032 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 39.2 t -51.36 -42.56 27.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 124.832 1.253 . . . . 0.0 112.318 175.21 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -65.68 -23.98 66.9 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.084 1.354 . . . . 0.0 113.762 -179.071 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -111.94 -14.2 13.52 Favored 'General case' 0 CA--C 1.552 1.044 0 N-CA-C 115.076 1.51 . . . . 0.0 115.076 173.677 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 73.9 mt -102.2 -4.98 24.91 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.124 1.77 . . . . 0.0 115.095 -174.701 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -56.73 168.77 0.56 Allowed 'General case' 0 CA--C 1.55 0.955 0 CA-C-N 119.549 1.068 . . . . 0.0 113.387 174.759 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -34.12 16.11 0.0 OUTLIER Glycine 0 N--CA 1.492 2.369 2 C-N-CA 133.29 5.233 . . . . 0.0 124.504 -172.132 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 31.9 mtt180 -69.87 -65.22 0.75 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 129.584 3.154 . . . . 0.0 109.512 177.103 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.3 t 170.73 173.51 0.07 Allowed 'General case' 0 CA--C 1.539 0.536 1 C-N-CA 132.423 4.289 . . . . 0.0 109.002 169.324 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 57.6 tp -149.91 -58.96 0.2 Allowed 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.328 1.051 . . . . 0.0 111.519 169.568 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 71.6 m -75.09 -17.12 60.51 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 175.726 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 114.94 31.47 2.08 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 124.657 1.122 . . . . 0.0 115.515 169.734 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 44.9 t -149.36 -73.75 0.17 Allowed 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 117.98 0.89 . . . . 0.0 109.731 169.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -126.66 158.78 35.47 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 126.093 1.757 . . . . 0.0 113.257 170.443 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 3.7 p -143.37 163.52 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.877 1.271 . . . . 0.0 110.85 167.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 35.4 mtp180 -143.37 132.57 23.17 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 129.315 3.046 . . . . 0.0 105.703 168.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 73.5 t -148.26 116.72 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-N 120.023 1.283 . . . . 0.0 108.371 173.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -142.53 -170.15 3.14 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.595 1.158 . . . . 0.0 110.562 -169.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 77.6 mt -103.03 146.68 27.99 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 120.765 -1.209 . . . . 0.0 109.245 168.457 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 58.7 m . . . . . 0 N--CA 1.468 0.43 0 C-N-CA 124.569 1.148 . . . . 0.0 113.553 -174.9 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 . . . . . 0 N--CA 1.473 0.684 0 CA-C-O 121.277 0.561 . . . . 0.0 112.286 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.455 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 94.5 m-85 -127.62 152.64 47.4 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 127.28 2.232 . . . . 0.0 108.799 -177.675 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -109.46 164.77 12.2 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.776 1.23 . . . . 0.0 111.638 -179.077 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.519 HD11 ' CD2' ' A' ' 7' ' ' LEU . 1.4 tm? -147.71 138.08 23.06 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 127.152 2.181 . . . . 0.0 110.717 178.141 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.6 mp -118.43 114.43 45.0 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 C-N-CA 126.652 1.981 . . . . 0.0 110.728 172.661 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.519 ' CD2' HD11 ' A' ' 5' ' ' LEU . 80.9 mt -85.84 67.65 10.1 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 126.896 2.078 . . . . 0.0 111.342 172.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 39.8 m-20 . . . . . 0 CA--C 1.56 1.333 0 O-C-N 120.775 -1.203 . . . . 0.0 114.174 173.954 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.47 0.568 0 N-CA-C 115.025 1.491 . . . . 0.0 115.025 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -163.68 -164.18 18.21 Favored Glycine 0 CA--C 1.521 0.416 0 N-CA-C 116.79 1.476 . . . . 0.0 116.79 171.141 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -157.54 159.75 37.48 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 126.122 1.769 . . . . 0.0 111.406 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.4 t -154.77 -175.95 5.68 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 125.736 1.615 . . . . 0.0 109.94 174.183 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 72.9 p -141.1 170.64 15.34 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 125.68 1.592 . . . . 0.0 110.302 174.536 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.4 t -157.05 153.53 28.06 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 121.327 -0.858 . . . . 0.0 111.827 172.401 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -81.37 120.13 24.57 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 167.501 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -143.24 175.45 9.88 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.915 1.686 . . . . 0.0 112.403 -176.043 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 66.3 t -77.83 -47.47 25.37 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 O-C-N 121.481 -0.762 . . . . 0.0 110.476 169.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.455 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 4.0 t70 176.32 -158.02 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 130.33 3.452 . . . . 0.0 106.412 -177.595 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.02 -20.2 2.29 Favored 'General case' 0 CA--C 1.547 0.853 0 O-C-N 120.239 -1.538 . . . . 0.0 113.957 169.5 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.4 -8.28 24.76 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.087 1.355 . . . . 0.0 113.821 173.199 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.3 m -137.69 -36.26 0.63 Allowed 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.802 1.641 . . . . 0.0 112.28 175.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.55 -37.38 87.37 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.779 1.231 . . . . 0.0 110.758 176.665 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -74.82 4.39 6.49 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 178.433 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.406 ' HE2' HG23 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -132.48 16.81 4.42 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 120.426 -1.421 . . . . 0.0 111.869 173.743 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.406 HG23 ' HE2' ' A' ' 28' ' ' LYS . 3.8 t -118.14 -51.23 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 125.36 1.464 . . . . 0.0 110.243 178.142 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -62.46 -25.72 68.14 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 177.445 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -57.31 -27.03 61.81 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.97 1.708 . . . . 0.0 113.537 174.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -79.39 -57.74 3.55 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 175.567 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -57.4 -41.4 80.22 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.916 0.886 . . . . 0.0 112.67 -177.161 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.17 -49.28 78.24 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 124.157 0.983 . . . . 0.0 112.532 179.22 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -65.01 -25.31 67.8 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 178.17 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -80.91 -27.87 36.07 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 59.8 m-80 -81.17 -37.74 28.25 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 168.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.3 9.64 10.28 Favored Glycine 0 CA--C 1.534 1.27 0 C-N-CA 127.911 2.672 . . . . 0.0 115.681 169.413 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 60.6 t -84.94 149.83 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 124.376 1.07 . . . . 0.0 110.574 170.446 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -161.69 32.7 0.13 Allowed 'General case' 0 CA--C 1.555 1.138 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 169.756 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.08 -131.69 0.38 Allowed Glycine 0 CA--C 1.545 1.968 0 N-CA-C 117.364 1.705 . . . . 0.0 117.364 -173.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.417 ' HG2' ' H ' ' A' ' 55' ' ' THR . 7.8 pt-20 -69.7 81.5 0.43 Allowed 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.111 1.364 . . . . 0.0 113.126 -174.73 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 72.5 m95 -60.4 108.22 0.78 Allowed 'General case' 0 N--CA 1.466 0.345 0 O-C-N 120.191 -1.568 . . . . 0.0 110.449 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.82 164.41 20.08 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 126.607 1.963 . . . . 0.0 111.271 -172.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -149.27 156.95 42.9 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.095 1.358 . . . . 0.0 110.657 175.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -126.78 124.07 38.86 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 125.233 1.413 . . . . 0.0 108.355 171.711 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.482 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.8 OUTLIER -84.77 -7.07 59.34 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 114.104 1.15 . . . . 0.0 114.104 -173.377 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -101.41 -29.05 12.24 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.333 1.453 . . . . 0.0 112.097 -177.514 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.8 t -113.22 2.05 15.45 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.496 0.718 . . . . 0.0 112.839 171.583 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.482 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 4.6 mmpt? 53.95 40.38 31.52 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.009 1.724 . . . . 0.0 112.47 169.771 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 73.0 m -125.12 114.23 18.76 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.047 1.339 . . . . 0.0 110.096 -170.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -67.47 161.19 25.95 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.538 1.135 . . . . 0.0 111.889 169.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.0 m -146.09 158.95 43.89 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 125.546 1.539 . . . . 0.0 107.834 169.742 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.5 ' CG1' HD23 ' A' ' 7' ' ' LEU . 14.3 p -153.98 94.15 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 124.979 1.312 . . . . 0.0 110.087 176.291 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.417 ' H ' ' HG2' ' A' ' 42' ' ' GLU . 28.9 m . . . . . 0 N--CA 1.475 0.786 0 C-N-CA 124.191 0.996 . . . . 0.0 110.95 -178.515 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 36.4 mttm . . . . . 0 N--CA 1.467 0.398 0 N-CA-C 108.793 -0.818 . . . . 0.0 108.793 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . 0.252 0.2 OUTLIER -145.12 162.49 13.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 CA-C-O 122.83 1.3 . . . . 0.0 111.002 -169.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -125.51 145.54 50.05 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 128.414 2.686 . . . . 0.0 109.211 -175.259 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.498 HG13 ' HB3' ' A' ' 113' ' ' ALA . 2.9 p -143.18 136.69 25.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 122.925 0.49 . . . . 0.0 110.83 170.18 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.7 0 N-CA-C 117.259 1.664 . . . . 0.0 117.259 178.62 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.7 ptmm? . . . . . 0 N--CA 1.473 0.698 0 N-CA-C 116.565 2.061 . . . . 0.0 116.565 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 37.6 m -45.38 -49.18 13.27 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 126.165 1.786 . . . . 0.0 114.802 -170.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -75.97 -46.81 27.72 Favored 'General case' 0 CA--C 1.533 0.304 0 O-C-N 121.328 -0.857 . . . . 0.0 111.964 -177.56 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.413 HD12 ' N ' ' A' ' 91' ' ' GLU . 3.4 pp -64.4 -29.73 70.78 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 119.19 0.905 . . . . 0.0 112.042 176.738 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.413 ' N ' HD12 ' A' ' 90' ' ' LEU . 27.0 tt0 -67.22 -43.5 81.87 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.818 1.647 . . . . 0.0 111.7 176.547 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.3 ppt_? -68.81 -36.93 78.83 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 119.443 1.019 . . . . 0.0 111.27 169.458 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.14 -37.27 86.54 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 119.337 0.972 . . . . 0.0 111.958 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.419 ' CZ ' HG11 ' A' ' 115' ' ' VAL . 7.4 m-85 -72.75 -65.18 0.83 Allowed 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 125.624 1.57 . . . . 0.0 111.489 172.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.49 -14.79 29.43 Favored Glycine 0 CA--C 1.543 1.824 0 N-CA-C 115.991 1.156 . . . . 0.0 115.991 -178.666 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -54.14 -48.51 70.76 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.729 1.612 . . . . 0.0 111.827 167.692 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -64.91 -49.41 70.55 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.641 0.776 . . . . 0.0 109.44 172.16 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 176.03 166.32 33.22 Favored Glycine 0 N--CA 1.473 1.163 0 N-CA-C 115.741 1.057 . . . . 0.0 115.741 169.126 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -48.89 151.54 5.43 Favored 'Trans proline' 0 CA--C 1.535 0.539 0 C-N-CA 123.981 3.121 . . . . 0.0 117.943 -168.181 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.404 ' CD2' HG23 ' A' ' 115' ' ' VAL . 13.6 mt -116.23 132.88 56.54 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 127.443 2.297 . . . . 0.0 109.68 -170.816 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 85.8 mtm-85 -81.43 -35.84 30.15 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.265 0.626 . . . . 0.0 112.46 170.109 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.7 m -158.52 155.92 29.29 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.742 1.217 . . . . 0.0 112.155 175.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 88.4 t -141.76 134.05 28.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 C-N-CA 125.988 1.715 . . . . 0.0 106.901 169.276 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 80.6 t90 -136.06 133.91 37.89 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 125.252 1.421 . . . . 0.0 109.3 -177.006 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.59 HG12 ' HB1' ' A' ' 113' ' ' ALA . 2.4 m -137.58 143.88 32.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 O-C-N 121.428 -0.795 . . . . 0.0 110.575 179.668 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.564 0 C-N-CA 123.371 0.669 . . . . 0.0 110.192 179.216 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . 0.255 0.2 OUTLIER . . . . . 0 CA--C 1.54 0.565 0 CA-C-O 121.711 0.767 . . . . 0.0 112.843 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.59 ' HB1' HG12 ' A' ' 105' ' ' VAL . . . -164.68 163.97 21.47 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.922 2.089 . . . . 0.0 111.082 -169.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -133.59 156.78 47.23 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.121 1.369 . . . . 0.0 110.863 -178.714 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.419 HG11 ' CZ ' ' A' ' 94' ' ' PHE . 0.8 OUTLIER -154.65 151.34 10.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 O-C-N 121.386 -0.821 . . . . 0.0 112.074 -168.708 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 53.4 tt0 -138.45 114.11 9.79 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.026 1.33 . . . . 0.0 109.988 169.142 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -79.68 160.74 26.19 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.634 1.174 . . . . 0.0 113.386 176.393 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -67.28 -31.74 72.26 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.54 0.736 . . . . 0.0 112.706 171.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -129.57 124.88 22.14 Favored Pre-proline 0 CA--C 1.547 0.844 0 C-N-CA 126.144 1.778 . . . . 0.0 109.589 -174.076 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -48.57 -29.89 15.01 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 123.609 2.873 . . . . 0.0 114.85 170.255 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -77.04 -27.6 54.54 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.824 0.85 . . . . 0.0 112.63 175.217 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -68.55 -43.06 77.46 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 120.27 1.396 . . . . 0.0 110.263 168.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.63 -37.46 78.71 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 118.886 -0.578 . . . . 0.0 112.267 169.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.06 -46.31 81.71 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 119.634 1.106 . . . . 0.0 112.823 174.371 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -57.31 -42.12 81.21 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.166 0.894 . . . . 0.0 111.79 174.062 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.511 ' HB1' HD12 ' A' ' 130' ' ' LEU . . . -61.71 -52.83 62.66 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.5 0.72 . . . . 0.0 111.486 172.064 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 38.1 t -58.8 -15.8 7.14 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 126.379 1.872 . . . . 0.0 114.272 175.082 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.76 9.09 12.88 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 125.512 1.525 . . . . 0.0 114.838 178.238 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -135.62 -28.87 1.08 Allowed 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 115.397 1.628 . . . . 0.0 115.397 168.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.511 HD12 ' HB1' ' A' ' 126' ' ' ALA . 96.1 mt -85.5 -9.51 57.33 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.432 1.493 . . . . 0.0 113.216 176.681 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -68.23 162.83 24.13 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.575 1.95 . . . . 0.0 115.99 -175.137 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 41.88 -11.53 0.0 OUTLIER Glycine 0 N--CA 1.478 1.457 2 N-CA-C 124.543 4.577 . . . . 0.0 124.543 168.249 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 48.1 mtm-85 -106.91 -78.09 0.59 Allowed 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 121.087 2.443 . . . . 0.0 110.81 -169.25 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -176.0 176.33 1.79 Allowed 'General case' 0 C--O 1.235 0.313 0 C-N-CA 128.785 2.834 . . . . 0.0 108.727 176.732 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -151.78 -58.27 0.15 Allowed 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.559 0.744 . . . . 0.0 110.767 172.064 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 47.6 t -86.34 -51.21 6.38 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.181 0.593 . . . . 0.0 110.546 173.108 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 160.64 57.19 0.01 OUTLIER Glycine 0 C--N 1.343 0.972 0 N-CA-C 115.841 1.097 . . . . 0.0 115.841 175.735 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 8.2 t -145.3 -129.39 0.08 Allowed 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.441 1.096 . . . . 0.0 111.894 171.542 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.62 59.07 1.71 Allowed 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 127.223 2.209 . . . . 0.0 109.648 -174.059 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -58.05 159.59 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 C-N-CA 128.312 2.645 . . . . 0.0 113.748 -169.302 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.16 143.84 23.57 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 128.223 2.609 . . . . 0.0 107.492 177.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 95.7 t -142.63 128.81 17.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 N-CA-C 107.853 -1.166 . . . . 0.0 107.853 -169.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -138.54 169.6 17.51 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 119.139 0.881 . . . . 0.0 111.565 -178.39 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -104.82 151.76 23.42 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 120.915 -1.116 . . . . 0.0 111.772 176.401 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.6 p . . . . . 0 N--CA 1.476 0.856 0 C-N-CA 128.178 2.591 . . . . 0.0 116.392 -173.06 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 . . . . . 0 CA--C 1.545 0.765 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.444 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 85.3 m-85 -126.8 156.52 41.14 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 127.791 2.436 . . . . 0.0 108.851 177.678 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -108.89 160.32 16.09 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.965 1.306 . . . . 0.0 111.544 -179.544 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.667 HD22 ' HB3' ' A' ' 30' ' ' PHE . 18.1 tp -141.75 137.77 31.85 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 126.481 1.912 . . . . 0.0 109.442 171.661 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mp -111.93 139.96 33.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 126.128 1.771 . . . . 0.0 107.584 169.738 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.477 ' HB3' HG21 ' A' ' 39' ' ' VAL . 3.3 mp -123.23 66.96 0.99 Allowed 'General case' 0 N--CA 1.444 -0.748 0 C-N-CA 128.994 2.917 . . . . 0.0 108.214 -177.837 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 . . . . . 0 CA--C 1.555 1.145 0 C-N-CA 126.747 2.019 . . . . 0.0 115.653 174.533 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.101 0 N-CA-C 121.375 3.843 . . . . 0.0 121.375 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -171.86 -158.52 16.14 Favored Glycine 0 CA--C 1.537 1.43 0 N-CA-C 118.778 2.271 . . . . 0.0 118.778 169.125 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -156.77 161.55 39.78 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 126.71 2.004 . . . . 0.0 112.733 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.7 t -160.28 -175.78 5.25 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 126.97 2.108 . . . . 0.0 110.839 -177.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 67.2 p -144.66 170.58 15.81 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 126.313 1.845 . . . . 0.0 111.246 175.521 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.2 t -156.63 150.5 24.88 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.065 0.946 . . . . 0.0 111.621 171.635 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.3 tp10 -76.31 120.01 20.98 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 167.32 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -140.9 175.13 9.86 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.174 1.39 . . . . 0.0 112.972 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 90.0 t -78.7 -47.42 23.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 O-C-N 121.283 -0.885 . . . . 0.0 110.685 169.692 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.444 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 5.2 t70 176.22 -156.48 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 131.184 3.794 . . . . 0.0 106.083 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.76 -20.18 2.02 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 120.937 1.699 . . . . 0.0 114.004 169.605 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.69 -7.93 18.07 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.581 1.152 . . . . 0.0 113.733 172.275 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 52.1 m -138.9 -39.13 0.5 Allowed 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.9 1.68 . . . . 0.0 112.249 176.1 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.86 -39.56 90.87 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.071 1.348 . . . . 0.0 110.86 178.222 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -73.9 2.14 9.2 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 178.072 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.33 19.43 4.83 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 125.101 1.36 . . . . 0.0 111.708 173.448 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.2 t -121.09 -51.95 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 125.285 1.434 . . . . 0.0 109.943 177.496 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.667 ' HB3' HD22 ' A' ' 5' ' ' LEU . 23.3 m-85 -60.72 -28.65 68.83 Favored 'General case' 0 C--O 1.224 -0.247 0 C-N-CA 123.245 0.618 . . . . 0.0 112.585 176.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -54.78 -31.08 58.36 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.482 1.113 . . . . 0.0 113.084 176.06 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -83.94 -49.97 8.47 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.46 0.704 . . . . 0.0 110.825 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -62.46 -40.35 96.35 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.156 0.982 . . . . 0.0 111.736 179.102 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.49 -42.87 95.6 Favored 'General case' 0 N--CA 1.452 -0.351 0 O-C-N 121.19 -0.944 . . . . 0.0 112.549 178.176 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -67.56 -21.08 65.46 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 172.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -82.13 -30.37 31.15 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.428 1.013 . . . . 0.0 112.864 175.654 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -75.31 -43.47 50.68 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 168.396 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.05 3.5 8.18 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 128.753 3.073 . . . . 0.0 114.817 169.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.477 HG21 ' HB3' ' A' ' 7' ' ' LEU . 4.6 t -81.23 140.8 16.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 CA-C-N 118.528 1.164 . . . . 0.0 110.634 -179.58 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -159.54 47.65 0.29 Allowed 'General case' 0 CA--C 1.554 1.1 0 CA-C-O 122.286 1.041 . . . . 0.0 113.131 171.16 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -89.98 -130.29 4.17 Favored Glycine 0 CA--C 1.539 1.56 0 C-N-CA 125.27 1.414 . . . . 0.0 114.668 176.444 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -67.53 82.94 0.17 Allowed 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 124.947 1.299 . . . . 0.0 114.028 -172.57 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -63.34 104.0 0.56 Allowed 'General case' 0 N--CA 1.471 0.579 0 O-C-N 119.907 -1.746 . . . . 0.0 110.747 177.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 64.7 m -128.06 161.42 29.24 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 127.385 2.274 . . . . 0.0 109.46 -169.695 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -156.07 164.49 38.36 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.854 1.661 . . . . 0.0 110.301 -174.063 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -142.71 153.21 43.15 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.131 1.772 . . . . 0.0 110.205 -173.348 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.416 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -124.83 5.12 8.08 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 -177.388 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -93.15 -29.74 15.59 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.926 1.291 . . . . 0.0 110.486 169.479 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -130.41 -7.87 4.2 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.572 0.952 . . . . 0.0 113.572 -176.23 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.416 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 1.7 mmpt? 60.56 45.52 10.46 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.048 1.739 . . . . 0.0 112.763 179.327 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 72.4 m -119.11 111.76 18.67 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.072 0.949 . . . . 0.0 111.538 -173.451 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -65.37 159.92 23.01 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 122.059 0.933 . . . . 0.0 111.361 168.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.8 m -146.45 150.55 35.83 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 125.35 1.46 . . . . 0.0 108.35 170.596 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.3 p -146.94 122.99 2.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 C-N-CA 126.181 1.793 . . . . 0.0 107.872 173.275 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.8 m . . . . . 0 N--CA 1.486 1.34 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -169.111 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 11.0 ptpp? . . . . . 0 N--CA 1.482 1.169 0 N-CA-C 116.172 1.916 . . . . 0.0 116.172 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.7 t -66.37 141.59 17.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 O-C-N 120.763 -1.211 . . . . 0.0 110.677 175.359 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -97.94 156.89 16.41 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 125.039 1.335 . . . . 0.0 110.38 171.632 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -156.25 159.28 2.85 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.272 0 CA-C-O 121.978 0.894 . . . . 0.0 112.355 175.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.248 0 C-N-CA 124.478 1.037 . . . . 0.0 113.215 169.235 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.3 ptmm? . . . . . 0 N--CA 1.471 0.607 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 32.4 m -47.19 -58.58 3.91 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 125.579 1.552 . . . . 0.0 113.997 -170.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.92 -56.07 17.95 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 122.783 0.433 . . . . 0.0 110.238 -176.334 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.7 pp -64.6 -33.32 75.65 Favored 'General case' 0 C--O 1.218 -0.561 0 O-C-N 123.284 0.365 . . . . 0.0 111.254 -174.109 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -60.99 -46.86 89.03 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 125.509 1.524 . . . . 0.0 112.121 175.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.68 -35.84 75.47 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 119.442 1.019 . . . . 0.0 112.249 171.595 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.61 -38.95 93.07 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 118.872 0.76 . . . . 0.0 112.062 -179.447 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.618 ' HB2' HD11 ' A' ' 100' ' ' LEU . 10.6 m-85 -72.54 -60.67 2.12 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 125.964 1.705 . . . . 0.0 111.742 174.494 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -64.5 -15.07 58.83 Favored Glycine 0 CA--C 1.54 1.646 0 C-N-CA 120.682 -0.77 . . . . 0.0 114.932 -175.537 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -53.44 -46.88 70.03 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.331 1.452 . . . . 0.0 111.822 167.253 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -70.73 -45.93 63.97 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.856 0.862 . . . . 0.0 110.605 174.318 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -175.13 153.88 16.69 Favored Glycine 0 N--CA 1.477 1.407 0 CA-C-O 118.253 -1.304 . . . . 0.0 115.116 171.702 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -50.4 155.98 4.48 Favored 'Trans proline' 0 CA--C 1.539 0.732 0 C-N-CA 123.416 2.744 . . . . 0.0 116.668 -169.535 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.618 HD11 ' HB2' ' A' ' 94' ' ' PHE . 17.4 mt -118.04 143.34 46.5 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.272 1.829 . . . . 0.0 110.471 -173.502 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 21.4 ttp-105 -100.49 -38.34 8.43 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.795 1.638 . . . . 0.0 111.993 -179.27 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 14.4 m -143.18 147.08 34.33 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 125.194 1.397 . . . . 0.0 110.186 171.476 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.572 ' CG2' HD13 ' A' ' 100' ' ' LEU . 11.2 t -147.36 130.24 8.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 N-CA-C 106.964 -1.495 . . . . 0.0 106.964 175.13 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 87.2 t90 -146.55 145.37 30.11 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 123.904 0.881 . . . . 0.0 111.348 -169.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -143.48 141.04 26.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 O-C-N 121.452 -0.78 . . . . 0.0 108.957 168.512 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.688 0 CA-C-O 120.984 0.421 . . . . 0.0 110.865 -172.684 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.545 0.753 0 N-CA-C 106.713 -1.588 . . . . 0.0 106.713 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -146.59 172.99 12.74 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.09 1.356 . . . . 0.0 114.102 -168.069 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -144.76 158.88 43.61 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.949 1.7 . . . . 0.0 113.265 176.333 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.539 HG21 ' CD2' ' A' ' 94' ' ' PHE . 1.4 t -145.06 159.24 13.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 125.481 1.512 . . . . 0.0 112.473 -179.36 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 75.8 tt0 -140.53 104.1 4.68 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 126.701 2.001 . . . . 0.0 109.408 169.359 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.431 ' CZ ' ' HB3' ' A' ' 94' ' ' PHE . 9.3 m-85 -78.87 157.04 28.39 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 -179.444 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -88.25 8.68 26.08 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 126.097 1.759 . . . . 0.0 113.495 173.123 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -159.62 131.61 4.2 Favored Pre-proline 0 CA--C 1.547 0.856 0 O-C-N 120.651 -1.281 . . . . 0.0 111.864 176.366 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_endo -74.93 -28.57 9.19 Favored 'Trans proline' 0 CA--C 1.539 0.728 0 C-N-CA 122.778 2.319 . . . . 0.0 114.212 -175.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . 0.251 0.0 OUTLIER -82.93 -27.3 30.67 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 119.94 1.245 . . . . 0.0 112.527 176.79 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -73.96 -36.19 64.57 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 119.15 0.886 . . . . 0.0 110.504 169.472 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.89 -41.16 95.48 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 118.875 0.761 . . . . 0.0 111.17 169.49 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.84 -44.72 88.86 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.796 -0.565 . . . . 0.0 112.175 173.172 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -62.45 -37.58 86.46 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.09 0.956 . . . . 0.0 112.187 177.053 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.86 -55.49 25.71 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.877 1.271 . . . . 0.0 110.256 172.731 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 42.3 t -52.87 -30.77 16.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 124.878 1.271 . . . . 0.0 112.946 172.392 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -79.22 -23.53 43.71 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 127.272 2.229 . . . . 0.0 113.387 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -124.97 1.09 8.0 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 -176.48 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 96.1 mt -114.2 13.58 17.99 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.726 1.61 . . . . 0.0 112.731 179.495 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -53.17 156.62 2.16 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 126.302 1.841 . . . . 0.0 115.521 -177.197 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -49.46 -6.0 0.06 OUTLIER Glycine 0 CA--C 1.543 1.782 0 N-CA-C 122.315 3.686 . . . . 0.0 122.315 -168.134 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.416 ' HD2' ' H ' ' A' ' 134' ' ' THR . 1.4 ppt_? -70.95 -39.27 72.71 Favored 'General case' 0 N--CA 1.482 1.155 0 CA-C-N 119.853 1.826 . . . . 0.0 114.702 -173.496 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' THR . . . . . 0.416 ' H ' ' HD2' ' A' ' 133' ' ' ARG . 1.3 m 174.55 138.64 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 128.172 2.589 . . . . 0.0 110.111 -175.822 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 49.0 tp -147.14 -58.91 0.27 Allowed 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 126.071 1.748 . . . . 0.0 108.288 168.601 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 75.2 m -70.88 -41.91 70.71 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.387 1.075 . . . . 0.0 112.251 171.358 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 161.0 -2.04 0.08 OUTLIER Glycine 0 CA--C 1.538 1.526 0 N-CA-C 117.715 1.846 . . . . 0.0 117.715 169.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 6.2 t -149.47 -157.12 0.78 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 126.19 1.796 . . . . 0.0 109.129 178.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -41.0 109.63 0.12 Allowed 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 126.86 2.064 . . . . 0.0 110.848 171.148 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 27.5 m -114.96 -178.32 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 124.315 1.046 . . . . 0.0 110.503 169.355 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.89 148.68 32.05 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.651 1.181 . . . . 0.0 109.933 169.74 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 54.0 t -152.08 124.74 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 N-CA-C 105.797 -1.927 . . . . 0.0 105.797 167.4 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -149.79 -160.84 1.23 Allowed 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.196 0.907 . . . . 0.0 110.964 -174.438 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 98.2 mt -120.79 142.97 49.09 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 120.754 -1.216 . . . . 0.0 109.416 172.355 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 22.8 t . . . . . 0 N--CA 1.477 0.915 0 N-CA-C 115.699 1.74 . . . . 0.0 115.699 -173.259 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.545 0.78 0 CA-C-O 121.123 0.487 . . . . 0.0 111.949 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.433 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 92.5 m-85 -129.58 150.07 51.07 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 127.63 2.372 . . . . 0.0 108.962 179.195 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -101.13 161.97 13.23 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.794 1.238 . . . . 0.0 111.325 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.621 HD22 ' HB3' ' A' ' 30' ' ' PHE . 13.9 tp -142.96 140.18 30.97 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 126.642 1.977 . . . . 0.0 109.859 171.096 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mp -112.96 134.37 55.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.843 1.657 . . . . 0.0 109.204 169.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.3 mp -110.91 66.44 0.63 Allowed 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 127.779 2.432 . . . . 0.0 109.414 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 . . . . . 0 CA--C 1.55 0.978 0 C-N-CA 124.172 0.989 . . . . 0.0 110.918 169.449 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.05 0 N-CA-C 120.886 3.662 . . . . 0.0 120.886 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -168.63 -163.53 22.79 Favored Glycine 0 N--CA 1.473 1.133 0 N-CA-C 119.006 2.363 . . . . 0.0 119.006 169.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -155.6 158.09 37.81 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 126.249 1.82 . . . . 0.0 112.213 174.349 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.0 t -157.73 -177.46 6.59 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 126.639 1.976 . . . . 0.0 110.292 -174.39 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 75.9 p -143.82 169.34 17.97 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.318 1.447 . . . . 0.0 111.11 174.141 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.7 t -154.67 152.58 30.12 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.397 1.079 . . . . 0.0 111.278 172.062 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.2 tp10 -79.94 117.44 20.79 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.795 0.838 . . . . 0.0 108.749 168.608 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -138.57 178.76 6.9 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.229 1.412 . . . . 0.0 113.363 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.8 t -79.48 -49.0 20.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 O-C-N 121.258 -0.901 . . . . 0.0 110.532 169.445 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.433 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 5.2 t70 176.75 -157.0 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 131.101 3.76 . . . . 0.0 105.8 -179.03 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.86 -19.94 1.99 Allowed 'General case' 0 CA--C 1.549 0.909 0 O-C-N 119.94 -1.725 . . . . 0.0 113.934 169.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.75 -8.18 19.78 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.479 1.112 . . . . 0.0 113.999 172.709 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.9 m -140.52 -37.17 0.46 Allowed 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.357 1.463 . . . . 0.0 112.239 176.458 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.6 -38.16 86.41 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.639 1.176 . . . . 0.0 110.931 177.489 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -72.91 2.26 7.18 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 114.515 1.302 . . . . 0.0 114.515 178.15 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.422 ' HE3' HG23 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -131.94 18.58 4.6 Favored 'General case' 0 C--O 1.226 -0.18 0 C-N-CA 124.871 1.269 . . . . 0.0 111.793 173.158 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.422 HG23 ' HE3' ' A' ' 28' ' ' LYS . 4.3 t -117.48 -52.1 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 124.799 1.24 . . . . 0.0 110.062 175.661 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.621 ' HB3' HD22 ' A' ' 5' ' ' LEU . 24.3 m-85 -60.67 -28.64 68.76 Favored 'General case' 0 C--O 1.225 -0.2 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.918 178.17 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -54.73 -31.43 58.26 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.206 1.002 . . . . 0.0 112.811 174.337 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -79.77 -53.0 7.21 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 118.729 0.695 . . . . 0.0 110.948 176.352 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -62.51 -42.54 99.58 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.281 1.032 . . . . 0.0 111.822 -175.694 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.36 -48.33 78.38 Favored 'General case' 0 N--CA 1.45 -0.442 0 O-C-N 121.353 -0.842 . . . . 0.0 112.396 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -67.36 -16.27 64.15 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 176.315 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -83.91 -31.34 25.7 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.314 0.961 . . . . 0.0 112.888 173.508 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 58.8 m-80 -74.16 -37.33 64.02 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 168.136 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 120.35 -3.52 12.47 Favored Glycine 0 N--CA 1.438 -1.194 0 C-N-CA 128.472 2.939 . . . . 0.0 114.096 171.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.8 t -76.86 138.38 20.69 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.764 0 CA-C-N 118.908 1.354 . . . . 0.0 109.417 175.684 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -157.24 35.44 0.28 Allowed 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 173.658 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.63 -161.16 0.05 OUTLIER Glycine 0 CA--C 1.528 0.876 0 N-CA-C 117.065 1.586 . . . . 0.0 117.065 174.623 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.97 123.02 15.17 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.607 0.763 . . . . 0.0 109.365 171.571 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 77.1 m95 -90.43 123.43 34.14 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.097 0.959 . . . . 0.0 111.171 -178.261 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.97 162.32 23.64 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 127.77 2.428 . . . . 0.0 110.193 -172.236 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -153.77 168.65 25.57 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.322 1.449 . . . . 0.0 110.533 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -144.87 164.46 31.02 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.114 1.766 . . . . 0.0 110.524 -177.154 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.412 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 22.9 t70 -133.11 -1.95 3.22 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 -179.437 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.07 -28.79 32.18 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.63 -0.669 . . . . 0.0 110.339 169.601 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.5 p -135.09 -12.34 2.18 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.703 1.601 . . . . 0.0 113.08 -172.053 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.412 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 0.8 OUTLIER 63.34 46.92 4.19 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.807 1.643 . . . . 0.0 112.235 177.201 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 74.7 m -116.46 110.63 18.88 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.019 1.328 . . . . 0.0 111.487 -173.049 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -64.57 162.09 16.21 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 122.231 1.015 . . . . 0.0 111.145 168.455 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 24.3 m -147.96 155.78 41.94 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 169.7 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.5 p -138.6 109.41 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 C-N-CA 125.602 1.561 . . . . 0.0 107.874 170.523 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 98.6 m . . . . . 0 N--CA 1.478 0.943 0 C-N-CA 124.731 1.212 . . . . 0.0 111.621 -169.591 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 58.4 mttp . . . . . 0 N--CA 1.478 0.941 0 CA-C-O 121.233 0.539 . . . . 0.0 110.379 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . 0.293 0.5 OUTLIER -124.5 132.68 70.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 CA-C-O 122.731 1.253 . . . . 0.0 111.2 176.565 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -84.59 145.82 27.84 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 126.363 1.865 . . . . 0.0 109.773 176.113 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.573 HG13 ' HB3' ' A' ' 113' ' ' ALA . 1.3 p -143.84 133.72 20.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 121.194 0.521 . . . . 0.0 110.665 170.195 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.874 0 N-CA-C 116.199 1.24 . . . . 0.0 116.199 179.399 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.0 ptmm? . . . . . 0 C--O 1.22 -0.468 0 N-CA-C 115.239 1.57 . . . . 0.0 115.239 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 85.5 m -45.98 -63.97 0.85 Allowed 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 115.769 1.766 . . . . 0.0 115.769 -169.396 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -71.82 -47.79 50.78 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 119.992 1.269 . . . . 0.0 111.136 -176.754 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.1 pp -60.83 -34.45 74.58 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-N 119.361 0.982 . . . . 0.0 112.211 -179.253 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -64.6 -46.0 84.55 Favored 'General case' 0 C--O 1.236 0.343 0 O-C-N 120.778 -1.202 . . . . 0.0 111.987 175.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.02 -36.55 84.74 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 119.543 1.065 . . . . 0.0 111.902 170.488 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -68.58 -39.76 80.81 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.134 0.974 . . . . 0.0 112.421 -176.154 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.514 ' CE2' HG11 ' A' ' 115' ' ' VAL . 14.6 m-85 -71.26 -61.74 1.66 Allowed 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 125.059 1.344 . . . . 0.0 110.819 173.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -58.7 -18.32 38.12 Favored Glycine 0 CA--C 1.548 2.101 0 N-CA-C 115.486 0.954 . . . . 0.0 115.486 179.419 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -55.85 -50.26 71.08 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.684 1.594 . . . . 0.0 112.559 168.555 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -63.99 -41.67 97.44 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.149 0.58 . . . . 0.0 110.02 173.729 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 176.25 157.62 17.87 Favored Glycine 0 N--CA 1.475 1.278 0 CA-C-O 118.495 -1.17 . . . . 0.0 114.373 168.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_exo -49.31 130.51 25.08 Favored 'Trans proline' 0 CA--C 1.531 0.349 0 C-N-CA 123.229 2.619 . . . . 0.0 116.455 -169.124 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.526 HD13 ' CG2' ' A' ' 103' ' ' VAL . 18.0 mt -72.88 167.47 20.91 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 113.438 -1.71 . . . . 0.0 111.446 169.621 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -123.64 -23.8 4.66 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.063 1.745 . . . . 0.0 111.834 171.665 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.5 t -161.71 156.97 23.69 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.129 1.372 . . . . 0.0 111.68 168.466 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.526 ' CG2' HD13 ' A' ' 100' ' ' LEU . 60.3 t -145.82 131.99 13.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 126.241 1.816 . . . . 0.0 108.421 178.376 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 90.7 t90 -142.18 143.73 33.08 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.29 1.436 . . . . 0.0 110.988 -176.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -143.29 148.44 19.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 O-C-N 121.114 -0.991 . . . . 0.0 110.496 172.369 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.889 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 -175.144 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.542 0.636 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.573 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -162.18 170.77 18.5 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.031 1.332 . . . . 0.0 112.313 -170.551 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -142.89 145.08 32.75 Favored 'General case' 0 N--CA 1.48 1.038 0 O-C-N 121.468 -0.77 . . . . 0.0 111.741 170.742 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.514 HG11 ' CE2' ' A' ' 94' ' ' PHE . 32.8 m -138.01 170.08 17.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 CA-C-O 122.214 1.007 . . . . 0.0 113.367 -174.721 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -147.99 128.31 13.9 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 126.11 1.764 . . . . 0.0 108.578 -169.519 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.412 ' CZ ' ' HB3' ' A' ' 94' ' ' PHE . 15.5 m-85 -115.14 153.76 30.2 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 113.294 0.849 . . . . 0.0 113.294 -171.019 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -82.49 -12.37 57.85 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.309 1.044 . . . . 0.0 113.308 -179.429 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -146.63 135.41 11.12 Favored Pre-proline 0 CA--C 1.552 1.02 0 C-N-CA 125.14 1.376 . . . . 0.0 111.664 -173.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -75.4 -29.16 7.89 Favored 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 123.208 2.605 . . . . 0.0 115.338 -171.09 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . 0.263 0.0 OUTLIER -86.46 -26.84 24.46 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 119.91 1.232 . . . . 0.0 112.151 178.168 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -68.66 -43.09 76.92 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 123.313 0.645 . . . . 0.0 109.98 168.506 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.89 -44.28 91.14 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.666 0.787 . . . . 0.0 112.081 170.325 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.94 -43.65 92.02 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 177.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -59.37 -38.98 81.82 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 119.443 1.02 . . . . 0.0 111.87 172.341 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.48 -54.73 27.9 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 118.123 0.42 . . . . 0.0 110.911 175.756 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -58.87 -20.29 16.79 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 125.823 1.649 . . . . 0.0 114.247 179.713 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 14.7 ttp85 -103.58 -24.07 13.43 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 126.111 1.764 . . . . 0.0 114.357 -178.639 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -112.16 -24.9 9.59 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 119.695 1.134 . . . . 0.0 113.105 -175.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.411 ' CD1' ' CE1' ' A' ' 94' ' ' PHE . 57.8 mt -70.49 -28.26 64.83 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 119.275 0.943 . . . . 0.0 111.348 168.427 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -68.47 134.53 50.25 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -170.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 59.46 16.02 34.35 Favored Glycine 0 CA--C 1.539 1.535 0 C-N-CA 126.033 1.778 . . . . 0.0 115.354 179.642 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 11.0 ttt-85 -84.81 -66.68 0.87 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 126.31 1.844 . . . . 0.0 113.519 -168.695 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 19.5 m 136.1 131.95 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.215 1 C-N-CA 133.883 4.873 . . . . 0.0 106.873 -172.231 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 15.1 tp -164.27 134.74 4.18 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 106.569 -1.641 . . . . 0.0 106.569 -178.441 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 44.1 t 59.51 -38.47 0.07 Allowed 'General case' 0 CA--C 1.556 1.176 0 C-N-CA 127.159 2.184 . . . . 0.0 114.499 -168.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 148.68 26.37 0.07 OUTLIER Glycine 0 CA--C 1.536 1.358 0 C-N-CA 125.94 1.733 . . . . 0.0 116.965 169.408 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.1 t -141.69 -176.91 4.94 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 119.469 1.634 . . . . 0.0 112.869 176.799 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -72.19 55.54 0.32 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 129.455 3.102 . . . . 0.0 112.561 -176.486 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 10.8 p -50.22 131.16 9.72 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 C-N-CA 126.589 1.956 . . . . 0.0 111.325 -172.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.91 126.06 35.15 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 126.411 1.884 . . . . 0.0 106.254 -175.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 57.6 t -132.69 135.87 56.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 123.764 0.826 . . . . 0.0 110.399 -167.002 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -143.47 166.76 23.9 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 120.887 -1.133 . . . . 0.0 112.963 -176.753 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -81.73 134.2 35.43 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 169.097 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.475 0.818 0 N-CA-C 115.501 1.667 . . . . 0.0 115.501 -168.719 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 . . . . . 0 CA--C 1.544 0.736 0 CA-C-O 120.879 0.371 . . . . 0.0 110.818 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.457 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 88.0 m-85 -123.31 154.26 39.13 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 127.204 2.202 . . . . 0.0 109.088 -176.56 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -105.35 160.77 14.86 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.221 1.009 . . . . 0.0 111.551 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.503 HD11 ' CD2' ' A' ' 7' ' ' LEU . 1.0 OUTLIER -146.35 135.34 22.54 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 126.429 1.892 . . . . 0.0 110.379 175.566 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.4 mp -114.48 112.26 39.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 126.635 1.974 . . . . 0.0 110.252 172.116 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.503 ' CD2' HD11 ' A' ' 5' ' ' LEU . 82.9 mt -82.81 72.94 9.88 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 126.316 1.847 . . . . 0.0 110.225 169.754 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 41.4 m-20 . . . . . 0 CA--C 1.564 1.505 0 C-N-CA 125.01 1.324 . . . . 0.0 114.422 172.513 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.764 0 N-CA-C 117.122 2.267 . . . . 0.0 117.122 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -163.95 -165.96 22.03 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 116.838 1.495 . . . . 0.0 116.838 169.394 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -154.13 155.86 36.15 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.466 1.506 . . . . 0.0 111.776 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.9 t -157.78 -173.17 4.24 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 125.853 1.661 . . . . 0.0 109.419 179.177 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 66.6 p -139.5 172.52 12.68 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.209 1.403 . . . . 0.0 110.514 175.423 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.626 HG21 ' CG1' ' A' ' 29' ' ' VAL . 4.5 t -157.17 149.77 23.25 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.192 0.997 . . . . 0.0 110.805 177.132 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.3 tp10 -80.29 114.36 19.14 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 169.184 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -132.36 177.18 7.79 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.724 1.609 . . . . 0.0 112.838 178.297 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.7 t -86.9 -37.23 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 O-C-N 121.172 -0.955 . . . . 0.0 111.928 172.596 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.457 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 3.8 t70 174.54 -157.16 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 130.865 3.666 . . . . 0.0 106.882 173.47 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.8 -22.49 2.18 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 120.408 1.458 . . . . 0.0 113.864 169.234 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.6 -6.69 21.39 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.279 1.432 . . . . 0.0 113.742 175.216 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 53.4 m -138.81 -33.81 0.63 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.639 1.576 . . . . 0.0 112.428 176.204 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.413 ' HA ' HG12 ' A' ' 29' ' ' VAL . . . -66.93 -35.32 79.74 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 124.679 1.192 . . . . 0.0 110.847 175.073 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -76.16 4.65 8.17 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 114.754 1.39 . . . . 0.0 114.754 177.754 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.44 17.91 4.39 Favored 'General case' 0 N--CA 1.463 0.198 0 O-C-N 120.309 -1.494 . . . . 0.0 112.022 174.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.626 ' CG1' HG21 ' A' ' 18' ' ' THR . 3.9 p -126.54 -41.05 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.185 0.994 . . . . 0.0 112.352 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.44 ' CZ ' HG22 ' A' ' 18' ' ' THR . 23.5 m-85 -64.39 -27.23 68.87 Favored 'General case' 0 C--O 1.226 -0.184 0 C-N-CA 123.277 0.631 . . . . 0.0 112.412 170.041 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -56.54 -31.16 63.89 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.952 1.301 . . . . 0.0 112.752 173.737 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -77.62 -51.27 10.92 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 118.506 0.594 . . . . 0.0 111.034 176.622 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -59.99 -42.56 94.49 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.41 1.084 . . . . 0.0 111.97 179.321 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.07 -49.26 78.57 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 124.03 0.932 . . . . 0.0 112.142 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 -71.04 -19.0 62.54 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 178.276 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -80.9 -30.15 35.51 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 173.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -78.36 -44.04 26.11 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 168.35 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 121.71 13.95 4.93 Favored Glycine 0 CA--C 1.538 1.486 0 C-N-CA 128.673 3.035 . . . . 0.0 115.363 170.003 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 44.4 t -86.73 148.68 4.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 125.31 1.444 . . . . 0.0 111.515 173.096 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -164.58 58.38 0.14 Allowed 'General case' 0 CA--C 1.555 1.161 0 CA-C-O 122.709 1.242 . . . . 0.0 111.957 168.686 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.79 -140.99 5.76 Favored Glycine 0 CA--C 1.547 2.071 0 C-N-CA 126.679 2.085 . . . . 0.0 116.527 179.184 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -70.72 88.66 0.72 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 125.85 1.66 . . . . 0.0 112.948 -177.619 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 81.8 m95 -62.55 111.98 2.29 Favored 'General case' 0 N--CA 1.467 0.383 0 O-C-N 119.911 -1.743 . . . . 0.0 110.418 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -126.67 163.05 24.33 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 126.641 1.977 . . . . 0.0 110.907 -172.273 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -147.32 168.5 21.62 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.345 1.058 . . . . 0.0 111.797 177.214 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -142.41 128.24 19.38 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 127.319 2.247 . . . . 0.0 107.437 -177.392 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.516 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -105.33 3.31 29.71 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.759 1.392 . . . . 0.0 114.759 -177.837 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -92.43 -29.07 16.47 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.096 1.358 . . . . 0.0 110.425 169.658 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.2 p -125.4 -10.47 6.91 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -174.628 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.516 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 2.6 mmpt? 61.13 42.54 12.2 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.357 1.463 . . . . 0.0 112.479 178.074 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 81.1 m -117.73 110.91 18.42 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.859 1.664 . . . . 0.0 111.601 -174.762 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -67.51 159.69 29.17 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 121.924 0.868 . . . . 0.0 111.002 168.569 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.9 m -146.16 159.48 43.25 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.122 1.369 . . . . 0.0 108.37 170.608 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.475 ' CG1' HD23 ' A' ' 7' ' ' LEU 0.265 7.6 p -152.75 76.96 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 CA-C-O 123.077 1.418 . . . . 0.0 111.72 177.79 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.1 m . . . . . 0 N--CA 1.474 0.732 0 C-N-CA 125.019 1.328 . . . . 0.0 111.822 -179.537 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 46.2 mttp . . . . . 0 N--CA 1.476 0.87 0 CA-C-O 120.365 0.126 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -140.81 139.46 34.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 CA-C-O 122.661 1.219 . . . . 0.0 111.099 178.168 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -82.29 149.1 27.97 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 128.155 2.582 . . . . 0.0 110.199 175.626 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.549 HG13 ' HB3' ' A' ' 113' ' ' ALA . 0.5 OUTLIER -149.44 151.84 12.52 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 CA-C-O 122.729 1.252 . . . . 0.0 113.652 171.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.479 ' HA2' ' HA ' ' A' ' 112' ' ' PHE . . . . . . . . 0 CA--C 1.53 1.031 0 C-N-CA 126.136 1.826 . . . . 0.0 112.068 168.709 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.5 pttp . . . . . 0 C--O 1.22 -0.494 0 N-CA-C 116.08 1.882 . . . . 0.0 116.08 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 46.5 m -43.11 -62.59 1.0 Allowed 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 120.568 1.531 . . . . 0.0 114.497 -169.281 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.04 -55.47 16.47 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 -175.455 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.461 HD12 ' N ' ' A' ' 91' ' ' GLU . 3.3 pp -63.6 -33.77 76.35 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 123.437 0.461 . . . . 0.0 112.178 -173.026 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.461 ' N ' HD12 ' A' ' 90' ' ' LEU . 41.4 tt0 -64.57 -48.45 74.94 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 125.151 1.38 . . . . 0.0 111.169 178.443 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.78 -32.89 71.62 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 119.04 -1.064 . . . . 0.0 112.152 172.755 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.44 98.24 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.728 0.811 . . . . 0.0 111.695 178.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.513 ' HB2' HD11 ' A' ' 100' ' ' LEU . 8.9 m-85 -69.79 -64.16 0.94 Allowed 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 125.268 1.427 . . . . 0.0 111.729 172.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -57.22 -18.57 28.65 Favored Glycine 0 CA--C 1.548 2.116 0 N-CA-C 115.444 0.938 . . . . 0.0 115.444 -176.033 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -55.84 -49.42 73.36 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 126.293 1.837 . . . . 0.0 112.946 168.034 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -64.88 -42.46 94.78 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.387 0.675 . . . . 0.0 110.224 174.126 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 179.77 162.44 28.76 Favored Glycine 0 N--CA 1.476 1.301 0 CA-C-O 118.724 -1.042 . . . . 0.0 113.958 169.257 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -58.26 139.32 90.08 Favored 'Trans proline' 0 CA--C 1.532 0.417 0 CA-C-N 120.745 2.273 . . . . 0.0 114.976 -168.539 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.597 HD13 ' CG2' ' A' ' 103' ' ' VAL . 16.3 mt -85.89 150.1 24.76 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.786 1.634 . . . . 0.0 111.561 175.488 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -96.75 -33.67 11.62 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.494 1.118 . . . . 0.0 111.802 169.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.7 m -156.37 154.32 30.36 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.126 1.371 . . . . 0.0 112.193 172.722 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.597 ' CG2' HD13 ' A' ' 100' ' ' LEU . 73.5 t -139.6 137.13 40.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 125.786 1.634 . . . . 0.0 109.35 173.502 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 87.7 t90 -141.93 148.15 38.2 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 126.082 1.753 . . . . 0.0 110.553 -175.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 8.0 m -143.24 151.82 16.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 125.138 1.375 . . . . 0.0 108.656 173.675 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.709 0 CA-C-O 122.021 0.915 . . . . 0.0 113.144 -172.846 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.479 ' HA ' ' HA2' ' A' ' 79' ' ' GLY . 0.0 OUTLIER . . . . . 0 CA--C 1.544 0.727 0 CA-C-O 120.637 0.256 . . . . 0.0 110.351 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.549 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -167.25 173.28 9.11 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.165 1.386 . . . . 0.0 112.932 -167.659 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -147.58 147.84 30.49 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 172.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.458 HG11 ' CE2' ' A' ' 94' ' ' PHE . 21.7 m -141.99 171.54 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 124.395 1.078 . . . . 0.0 113.053 -175.331 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -144.6 124.05 13.14 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 125.092 1.357 . . . . 0.0 109.229 169.275 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.445 ' HA ' ' HA ' ' A' ' 100' ' ' LEU . 41.1 m-85 -78.39 165.32 23.95 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 174.71 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 22.7 tp10 -70.24 -16.41 63.04 Favored 'General case' 0 CA--C 1.548 0.867 0 O-C-N 120.931 -1.106 . . . . 0.0 112.561 170.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -155.93 158.03 31.54 Favored Pre-proline 0 CA--C 1.555 1.144 0 O-C-N 120.783 -1.198 . . . . 0.0 113.346 176.185 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -68.05 -29.24 34.02 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 124.305 3.337 . . . . 0.0 113.924 -178.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.1 ttp85 -63.1 -43.4 98.58 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 120.506 1.503 . . . . 0.0 110.832 174.271 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -66.83 -43.51 83.55 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 178.35 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.9 -41.83 96.83 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 171.36 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.48 -39.23 91.7 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.609 0.764 . . . . 0.0 112.475 178.254 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -66.1 -41.46 90.56 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-O 123.004 1.383 . . . . 0.0 111.718 176.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.44 ' HB1' HD12 ' A' ' 130' ' ' LEU . . . -60.62 -56.79 17.14 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 114.917 -1.038 . . . . 0.0 110.672 171.257 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 54.7 t -57.19 -27.32 27.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 125.412 1.485 . . . . 0.0 113.293 174.439 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 55.0 ttp85 -67.59 -42.16 82.93 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.549 1.54 . . . . 0.0 110.751 -179.311 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -129.96 -15.54 3.81 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 118.78 2.882 . . . . 0.0 118.78 -176.381 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.477 ' HB3' HG21 ' A' ' 142' ' ' VAL . 29.1 mt -66.91 -28.53 68.39 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 121.469 1.941 . . . . 0.0 113.38 175.381 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -60.18 134.56 57.17 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.882 1.273 . . . . 0.0 114.02 -174.004 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 66.73 -20.12 0.2 Allowed Glycine 0 CA--C 1.541 1.688 0 N-CA-C 119.683 2.633 . . . . 0.0 119.683 169.259 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 22.2 ptt180 -65.35 -53.15 47.73 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 117.401 2.371 . . . . 0.0 117.401 -167.767 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 4.5 m 147.66 127.54 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 131.255 3.822 . . . . 0.0 109.339 -170.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.3 tp -168.38 137.94 2.42 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 103.591 -2.744 . . . . 0.0 103.591 -179.062 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 67.8 m 67.25 -27.16 0.13 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 126.456 1.903 . . . . 0.0 112.663 -167.232 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 145.71 -8.16 1.54 Allowed Glycine 0 CA--C 1.534 1.239 0 N-CA-C 118.145 2.018 . . . . 0.0 118.145 168.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 13.0 t -156.6 -136.85 0.05 Allowed 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 119.819 1.809 . . . . 0.0 110.831 -169.584 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -47.31 116.72 1.5 Allowed 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 127.972 2.509 . . . . 0.0 111.511 178.663 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 61.7 t -116.68 162.55 14.58 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 124.916 1.286 . . . . 0.0 111.163 170.45 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.22 143.27 25.8 Favored 'General case' 0 C--O 1.221 -0.414 0 C-N-CA 127.449 2.3 . . . . 0.0 107.411 168.609 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.477 HG21 ' HB3' ' A' ' 130' ' ' LEU . 92.5 t -150.39 129.21 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 N-CA-C 107.189 -1.411 . . . . 0.0 107.189 169.071 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -147.63 159.3 43.93 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 119.511 1.05 . . . . 0.0 110.977 176.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 10.6 tp -68.82 137.81 54.26 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 120.047 -1.658 . . . . 0.0 109.605 173.263 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.471 0.603 0 CA-C-O 121.698 0.761 . . . . 0.0 112.18 -171.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 . . . . . 0 CA--C 1.539 0.53 0 CA-C-O 121.399 0.619 . . . . 0.0 111.389 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.453 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 88.1 m-85 -125.16 154.47 41.46 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 127.164 2.186 . . . . 0.0 108.385 -177.315 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -107.76 161.0 15.29 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.325 1.05 . . . . 0.0 111.267 -178.044 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.597 HD21 HD21 ' A' ' 7' ' ' LEU . 18.2 tp -142.64 139.42 31.25 Favored 'General case' 0 C--N 1.333 -0.116 0 C-N-CA 126.197 1.799 . . . . 0.0 110.462 173.283 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mp -113.87 142.05 27.8 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 C-N-CA 126.338 1.855 . . . . 0.0 107.157 169.102 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.597 HD21 HD21 ' A' ' 5' ' ' LEU . 79.5 mt -117.69 62.03 0.75 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 128.182 2.593 . . . . 0.0 109.337 176.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 . . . . . 0 CA--C 1.551 0.989 0 C-N-CA 124.407 1.083 . . . . 0.0 113.497 175.64 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.467 0.384 0 N-CA-C 116.08 1.881 . . . . 0.0 116.08 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -168.08 -163.8 22.65 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 117.306 1.682 . . . . 0.0 117.306 170.121 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -153.77 158.33 40.76 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.961 1.304 . . . . 0.0 112.739 -178.036 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.2 t -159.62 -175.13 4.99 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 126.553 1.941 . . . . 0.0 110.125 -175.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 69.9 p -142.28 172.16 13.07 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.786 1.635 . . . . 0.0 111.195 175.546 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.9 t -157.0 150.55 24.34 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.299 -0.876 . . . . 0.0 110.878 171.357 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.2 tp10 -78.71 113.64 16.95 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 169.176 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.06 175.3 9.5 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.697 1.599 . . . . 0.0 112.685 -178.169 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 47.0 t -84.14 -38.53 13.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 O-C-N 121.352 -0.842 . . . . 0.0 111.661 170.496 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.453 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 2.8 t70 174.55 -155.97 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 131.139 3.776 . . . . 0.0 106.854 173.345 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.34 -21.61 2.34 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 120.639 1.563 . . . . 0.0 114.165 169.672 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.76 -6.54 16.36 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.194 1.398 . . . . 0.0 113.825 173.385 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 22.0 m -137.72 -37.17 0.61 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.688 1.595 . . . . 0.0 111.966 174.384 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.01 -41.65 90.72 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.902 1.281 . . . . 0.0 110.946 177.321 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -77.26 6.28 7.0 Favored 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 114.26 1.207 . . . . 0.0 114.26 179.659 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.35 14.8 6.66 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.436 1.494 . . . . 0.0 111.893 169.745 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 t -115.06 -51.25 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 125.342 1.457 . . . . 0.0 110.024 173.014 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.478 ' HB3' HD22 ' A' ' 5' ' ' LEU . 23.2 m-85 -62.37 -26.52 68.5 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -58.63 -28.09 65.33 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.276 1.031 . . . . 0.0 113.219 175.489 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -82.3 -53.39 6.08 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 123.207 0.603 . . . . 0.0 109.887 177.26 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -57.81 -41.62 82.56 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.128 0.971 . . . . 0.0 112.216 -179.523 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.75 -52.56 64.54 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 123.695 0.798 . . . . 0.0 111.823 175.693 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -66.09 -22.2 66.4 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.097 0.959 . . . . 0.0 113.527 176.191 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -77.7 -30.37 51.81 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 119.321 0.964 . . . . 0.0 112.587 174.708 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -79.38 -38.51 34.78 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 168.501 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 118.9 4.11 12.98 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 128.706 3.051 . . . . 0.0 114.739 170.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 48.7 t -77.88 143.83 12.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 CA-C-N 118.462 1.131 . . . . 0.0 110.621 171.334 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -162.24 54.31 0.23 Allowed 'General case' 0 CA--C 1.547 0.832 0 CA-C-O 122.421 1.105 . . . . 0.0 112.032 168.341 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -74.32 -158.21 5.74 Favored Glycine 0 CA--C 1.539 1.585 0 C-N-CA 124.71 1.147 . . . . 0.0 115.552 175.4 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -65.09 130.22 42.56 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 121.221 -1.164 . . . . 0.0 109.59 170.649 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 80.0 m95 -89.53 139.47 30.5 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.662 1.185 . . . . 0.0 110.715 177.697 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -139.69 157.38 45.87 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 127.323 2.249 . . . . 0.0 108.895 -177.728 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -153.91 165.2 36.86 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.509 1.523 . . . . 0.0 109.776 -177.415 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -140.8 170.29 16.03 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.574 1.15 . . . . 0.0 112.532 -179.489 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.435 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 21.4 t70 -131.8 -4.6 3.62 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 115.121 1.526 . . . . 0.0 115.121 178.797 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.66 -27.77 31.11 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.425 0.69 . . . . 0.0 109.686 168.718 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 25.8 p -132.38 -12.67 3.1 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.602 1.561 . . . . 0.0 113.58 -170.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.435 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 2.6 mmpt? 56.1 39.48 30.38 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.297 1.439 . . . . 0.0 112.815 176.431 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 52.6 m -116.36 114.23 24.01 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 125.7 1.6 . . . . 0.0 110.272 -172.079 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -67.33 157.97 32.71 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 124.291 1.036 . . . . 0.0 111.18 169.23 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.1 m -151.11 129.22 11.85 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 107.346 -1.353 . . . . 0.0 107.346 171.492 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.444 HG12 HD23 ' A' ' 7' ' ' LEU . 9.5 p -113.56 132.76 61.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 123.863 0.865 . . . . 0.0 108.743 170.003 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 57.7 m . . . . . 0 N--CA 1.478 0.939 0 C-N-CA 123.948 0.899 . . . . 0.0 111.625 -169.112 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 95.4 mttt . . . . . 0 CA--C 1.534 0.344 0 CA-C-O 122.229 1.014 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.2 t -139.55 127.73 26.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 C-N-CA 126.642 1.977 . . . . 0.0 108.395 -174.679 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -78.87 147.59 33.1 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 123.387 0.675 . . . . 0.0 109.476 169.626 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.404 HG13 ' HB3' ' A' ' 113' ' ' ALA . 1.4 p -149.68 148.5 15.46 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.332 0 CA-C-N 118.958 0.799 . . . . 0.0 112.223 169.595 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.282 0 N-CA-C 110.09 -1.204 . . . . 0.0 110.09 169.189 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 10.1 ptmm? . . . . . 0 N--CA 1.487 1.417 0 N-CA-C 121.66 3.948 . . . . 0.0 121.66 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 25.9 m -47.73 -52.76 17.3 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 121.743 2.065 . . . . 0.0 116.034 -168.413 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -77.74 -41.01 39.15 Favored 'General case' 0 CA--C 1.53 0.204 0 O-C-N 121.087 -1.008 . . . . 0.0 111.033 -177.228 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.412 HD12 ' N ' ' A' ' 91' ' ' GLU . 3.2 pp -60.68 -32.93 72.12 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 120.487 1.494 . . . . 0.0 112.037 175.198 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.412 ' N ' HD12 ' A' ' 90' ' ' LEU . 24.3 tt0 -61.84 -48.73 79.23 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.755 1.222 . . . . 0.0 111.745 175.744 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.6 ppt_? -67.86 -35.24 78.19 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 119.19 0.905 . . . . 0.0 112.762 170.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.13 -48.85 79.7 Favored 'General case' 0 C--O 1.22 -0.456 0 C-N-CA 124.34 1.056 . . . . 0.0 111.182 -179.571 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.423 ' HB3' ' CZ ' ' A' ' 117' ' ' PHE . 12.5 m-85 -62.63 -63.13 1.31 Allowed 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 124.929 1.292 . . . . 0.0 111.525 174.768 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -57.33 -21.66 41.38 Favored Glycine 0 CA--C 1.547 2.052 0 N-CA-C 115.689 1.036 . . . . 0.0 115.689 -177.157 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -57.61 -53.48 57.69 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.706 1.603 . . . . 0.0 113.139 169.417 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -66.89 -37.44 84.39 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 118.69 0.677 . . . . 0.0 111.124 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -171.41 161.65 34.09 Favored Glycine 0 N--CA 1.476 1.356 0 CA-C-O 118.197 -1.335 . . . . 0.0 112.623 169.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -69.02 135.54 32.5 Favored 'Trans proline' 0 CA--C 1.535 0.531 0 CA-C-N 121.803 2.801 . . . . 0.0 114.517 -169.456 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.419 ' HA ' ' HA ' ' A' ' 117' ' ' PHE . 16.7 mt -74.58 164.94 26.01 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.226 1.81 . . . . 0.0 113.25 175.138 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 32.9 ttp-105 -124.8 -28.73 3.48 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 125.97 1.708 . . . . 0.0 112.244 169.334 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 17.1 t -153.5 150.19 28.48 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.535 1.134 . . . . 0.0 111.537 170.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.415 ' CG2' HD13 ' A' ' 100' ' ' LEU . 85.3 t -139.65 131.04 33.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 125.313 1.445 . . . . 0.0 108.847 174.48 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 86.2 t90 -142.21 148.31 37.97 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.112 1.365 . . . . 0.0 110.632 -178.214 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 24.4 m -144.56 159.17 14.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 C-N-CA 126.316 1.847 . . . . 0.0 107.941 175.786 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.665 0 N-CA-C 115.581 1.697 . . . . 0.0 115.581 -171.139 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.563 1.467 0 CA-C-O 120.986 0.422 . . . . 0.0 111.492 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.404 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -163.93 179.35 7.08 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 125.548 1.539 . . . . 0.0 114.067 -168.181 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -152.44 147.71 26.58 Favored 'General case' 0 N--CA 1.48 1.073 0 O-C-N 121.186 -0.946 . . . . 0.0 113.048 174.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.404 HG11 ' CE2' ' A' ' 94' ' ' PHE . 7.6 m -134.1 168.76 23.1 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 O-C-N 120.956 -1.09 . . . . 0.0 112.152 171.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -142.37 132.19 24.22 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 124.885 1.274 . . . . 0.0 108.57 172.346 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.423 ' CZ ' ' HB3' ' A' ' 94' ' ' PHE . 41.5 m-85 -94.95 168.63 10.66 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -178.561 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -71.7 -37.43 70.69 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 121.476 -0.765 . . . . 0.0 112.572 177.407 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -129.2 141.41 41.67 Favored Pre-proline 0 CA--C 1.547 0.832 0 C-N-CA 125.015 1.326 . . . . 0.0 110.61 175.434 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -51.87 -29.77 36.14 Favored 'Trans proline' 0 CA--C 1.538 0.684 0 C-N-CA 123.845 3.03 . . . . 0.0 114.996 172.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.4 ttp85 -58.22 -42.19 85.75 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.082 0.953 . . . . 0.0 111.807 170.134 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -68.18 -44.83 75.02 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 122.543 0.337 . . . . 0.0 110.9 -179.162 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.23 -48.12 82.81 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 122.959 0.504 . . . . 0.0 112.109 173.074 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.32 -44.6 91.07 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 -179.412 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -66.54 -39.53 88.64 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.319 1.048 . . . . 0.0 112.112 178.615 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.38 -55.51 17.71 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 121.776 -0.577 . . . . 0.0 109.964 175.218 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 55.8 t -55.33 -49.93 68.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 123.73 0.812 . . . . 0.0 111.206 178.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 4.4 ppt_? -60.64 -24.31 65.46 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-O 117.603 -1.189 . . . . 0.0 113.501 -178.049 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -116.16 18.86 15.23 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 174.739 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 22.4 mt -117.72 -35.78 3.84 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 126.275 1.83 . . . . 0.0 112.702 172.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -53.03 112.71 0.91 Allowed 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.203 1.001 . . . . 0.0 113.39 -169.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 59.58 13.51 24.08 Favored Glycine 0 CA--C 1.538 1.507 0 N-CA-C 116.66 1.424 . . . . 0.0 116.66 179.145 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 67.3 mmt-85 -66.38 -67.14 0.47 Allowed 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 120.039 1.92 . . . . 0.0 112.395 -176.17 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 17.6 m 143.54 131.64 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.353 1 C-N-CA 132.859 4.464 . . . . 0.0 107.22 -176.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -168.09 148.76 5.0 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 105.032 -2.21 . . . . 0.0 105.032 -176.554 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 91.2 m 64.16 -31.71 0.12 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.586 1.554 . . . . 0.0 112.755 -167.37 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 144.27 2.67 0.81 Allowed Glycine 0 CA--C 1.531 1.048 0 N-CA-C 118.266 2.066 . . . . 0.0 118.266 168.572 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 37.9 t -150.46 -77.64 0.14 Allowed 'General case' 0 C--N 1.343 0.325 0 CA-C-N 121.181 2.49 . . . . 0.0 109.799 -174.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -122.14 158.99 28.12 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 123.12 1.438 . . . . 0.0 112.64 177.113 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.73 89.16 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 128.116 2.566 . . . . 0.0 107.543 171.077 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.71 55.97 0.89 Allowed 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.452 1.501 . . . . 0.0 111.124 179.378 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 71.3 t -83.86 139.43 17.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 125.919 1.688 . . . . 0.0 110.194 -176.231 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -151.59 162.69 40.55 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.191 0.996 . . . . 0.0 110.657 169.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 39.6 mt -77.56 146.81 36.07 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 120.162 -1.586 . . . . 0.0 109.637 169.245 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.471 0.623 0 N-CA-C 112.732 0.642 . . . . 0.0 112.732 175.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 . . . . . 0 N--CA 1.473 0.702 0 CA-C-O 121.188 0.518 . . . . 0.0 112.058 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.494 ' CD1' ' HB3' ' A' ' 20' ' ' ALA . 88.8 m-85 -127.39 153.95 45.61 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 126.984 2.113 . . . . 0.0 108.498 -179.101 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -110.02 163.96 13.07 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.006 1.322 . . . . 0.0 111.624 -179.164 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.523 HD11 ' CD2' ' A' ' 7' ' ' LEU . 1.4 tm? -147.17 136.61 22.73 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.707 2.003 . . . . 0.0 110.772 178.052 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.6 mp -118.25 113.43 42.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 126.45 1.9 . . . . 0.0 110.554 173.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.523 ' CD2' HD11 ' A' ' 5' ' ' LEU . 85.0 mt -83.23 63.52 7.25 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 127.736 2.415 . . . . 0.0 112.05 174.58 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.416 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 58.3 t30 . . . . . 0 CA--C 1.553 1.093 0 N-CA-C 115.982 1.845 . . . . 0.0 115.982 -175.252 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.466 0.367 0 N-CA-C 117.383 2.364 . . . . 0.0 117.383 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -165.3 -156.26 9.05 Favored Glycine 0 CA--C 1.525 0.716 0 CA-C-N 113.54 -1.663 . . . . 0.0 116.052 169.516 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -156.59 160.93 39.89 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.519 1.528 . . . . 0.0 111.973 -175.615 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.9 t -154.3 -176.64 5.97 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.699 1.599 . . . . 0.0 110.09 173.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 72.1 p -140.97 170.83 15.0 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 125.935 1.694 . . . . 0.0 110.082 174.081 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.706 HG21 HG11 ' A' ' 29' ' ' VAL . 5.0 t -157.96 151.5 23.59 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.133 -0.98 . . . . 0.0 111.293 175.247 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -81.66 119.23 23.56 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 167.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.671 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -138.83 170.41 16.05 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.026 1.731 . . . . 0.0 112.324 -174.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 58.7 t -82.85 -38.85 15.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 O-C-N 121.02 -1.05 . . . . 0.0 111.651 170.613 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.455 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 3.3 t70 174.54 -154.58 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 130.691 3.596 . . . . 0.0 106.683 173.571 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.63 -19.49 2.39 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 120.681 1.582 . . . . 0.0 114.059 169.47 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.83 -8.26 14.47 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.41 1.084 . . . . 0.0 113.602 171.522 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.671 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 10.3 m -136.5 -41.8 0.62 Allowed 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 126.393 1.877 . . . . 0.0 111.746 179.6 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.461 ' HA ' HG12 ' A' ' 29' ' ' VAL . . . -68.32 -34.21 75.71 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.783 1.633 . . . . 0.0 111.024 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -78.65 5.38 11.19 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 120.701 -1.249 . . . . 0.0 114.367 176.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.14 18.2 3.2 Favored 'General case' 0 N--CA 1.466 0.332 0 O-C-N 120.658 -1.276 . . . . 0.0 112.276 176.832 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.706 HG11 HG21 ' A' ' 18' ' ' THR . 9.8 p -124.47 -40.96 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 124.889 1.276 . . . . 0.0 111.873 177.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -68.4 -27.7 66.45 Favored 'General case' 0 CA--C 1.527 0.091 0 C-N-CA 124.195 0.998 . . . . 0.0 112.571 173.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -54.59 -32.49 58.72 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.161 1.384 . . . . 0.0 112.763 177.28 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -80.2 -50.09 10.74 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.973 0.909 . . . . 0.0 110.665 -179.627 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -59.97 -43.73 94.91 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.341 1.057 . . . . 0.0 112.261 177.723 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.41 -52.16 66.49 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 123.729 0.811 . . . . 0.0 112.217 178.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -73.35 -13.11 61.04 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.384 0.674 . . . . 0.0 112.739 -178.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -84.18 -31.35 25.18 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.911 0.884 . . . . 0.0 112.764 171.323 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -76.32 -36.85 58.09 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 168.292 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 119.85 0.89 13.36 Favored Glycine 0 CA--C 1.534 1.224 0 C-N-CA 128.66 3.029 . . . . 0.0 114.742 169.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 54.2 t -76.39 149.63 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 CA-C-N 118.138 0.969 . . . . 0.0 111.511 173.692 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -163.39 41.3 0.1 Allowed 'General case' 0 CA--C 1.546 0.827 0 CA-C-O 122.292 1.044 . . . . 0.0 111.235 169.334 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.85 -151.25 0.05 OUTLIER Glycine 0 CA--C 1.542 1.775 0 C-N-CA 126.195 1.855 . . . . 0.0 116.643 177.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -73.14 85.72 1.37 Allowed 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.191 1.396 . . . . 0.0 112.709 -178.615 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 77.5 m95 -55.35 116.28 2.76 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 125.428 1.491 . . . . 0.0 110.216 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.99 162.29 29.01 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 126.864 2.066 . . . . 0.0 110.503 -173.032 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -155.38 163.92 39.43 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.598 1.159 . . . . 0.0 111.663 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -138.23 166.14 24.92 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.266 1.426 . . . . 0.0 112.454 176.508 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.466 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 28.4 t70 -125.12 -0.4 7.79 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 114.781 1.401 . . . . 0.0 114.781 -178.802 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -95.45 -32.09 13.06 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.164 1.386 . . . . 0.0 111.359 170.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.6 t -125.38 -1.63 7.54 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.308 1.043 . . . . 0.0 113.615 178.488 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.466 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 2.7 mmpt? 53.64 41.29 32.11 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.801 1.24 . . . . 0.0 113.075 169.154 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 52.7 m -120.92 113.81 20.65 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 125.567 1.547 . . . . 0.0 109.316 -171.716 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -66.79 159.91 27.02 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 122.054 0.93 . . . . 0.0 110.967 169.315 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 22.4 m -145.7 161.95 38.69 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 125.687 1.595 . . . . 0.0 107.491 169.655 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.49 ' CG1' HD23 ' A' ' 7' ' ' LEU . 14.4 p -153.92 65.76 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 CA-C-O 123.22 1.486 . . . . 0.0 111.189 -179.368 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.416 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 86.1 m . . . . . 0 N--CA 1.469 0.523 0 O-C-N 121.113 -0.992 . . . . 0.0 112.734 -172.475 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.5 mttp . . . . . 0 N--CA 1.472 0.625 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 80.0 t -140.6 131.65 29.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 CA-C-O 122.094 0.949 . . . . 0.0 113.222 -167.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -88.36 147.5 24.71 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 125.934 1.693 . . . . 0.0 109.237 168.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.421 HG13 ' HB3' ' A' ' 113' ' ' ALA . 1.4 p -152.55 152.88 10.02 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.285 0 CA-C-O 122.732 1.253 . . . . 0.0 113.335 177.153 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.316 0 C-N-CA 125.991 1.757 . . . . 0.0 109.795 168.723 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.1 ptmm? . . . . . 0 N--CA 1.469 0.49 0 N-CA-C 115.372 1.619 . . . . 0.0 115.372 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.404 ' HA ' ' HB3' ' A' ' 91' ' ' GLU . 2.2 m -73.02 -31.69 64.62 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 -168.449 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -64.48 -53.27 50.87 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 119.666 1.121 . . . . 0.0 110.724 174.501 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.436 ' HA ' ' HB3' ' A' ' 93' ' ' ALA . 4.5 pp -65.85 -32.31 73.76 Favored 'General case' 0 C--O 1.22 -0.456 0 C-N-CA 120.474 -0.49 . . . . 0.0 111.865 177.796 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.404 ' HB3' ' HA ' ' A' ' 88' ' ' THR . 40.3 tt0 -55.77 -48.03 76.01 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 120.756 -1.215 . . . . 0.0 111.953 173.399 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.86 -37.85 82.37 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 119.154 0.888 . . . . 0.0 111.714 170.528 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.436 ' HB3' ' HA ' ' A' ' 90' ' ' LEU . . . -60.17 -36.27 77.2 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.602 1.092 . . . . 0.0 112.601 -178.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.589 ' CD2' HG11 ' A' ' 115' ' ' VAL . 21.8 m-85 -83.76 -60.17 2.2 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 125.794 1.638 . . . . 0.0 111.628 179.191 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -50.29 -23.31 5.89 Favored Glycine 0 CA--C 1.548 2.134 0 N-CA-C 115.452 0.941 . . . . 0.0 115.452 173.276 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -51.63 -51.62 54.23 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.851 1.66 . . . . 0.0 112.702 168.548 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -72.33 -44.81 62.13 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.221 1.008 . . . . 0.0 111.323 178.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -171.84 168.34 41.43 Favored Glycine 0 N--CA 1.478 1.476 0 CA-C-O 118.839 -0.979 . . . . 0.0 114.478 175.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -70.4 124.5 10.88 Favored 'Trans proline' 0 C--O 1.237 0.446 0 CA-C-N 120.919 2.359 . . . . 0.0 114.154 -169.07 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.42 HD13 ' CG2' ' A' ' 103' ' ' VAL . 21.1 mt -61.0 162.84 6.53 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.825 2.05 . . . . 0.0 112.763 170.313 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 28.3 ttp180 -124.79 -29.51 3.39 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 126.461 1.904 . . . . 0.0 111.307 176.013 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 83.0 p -160.62 155.1 23.55 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.573 1.549 . . . . 0.0 111.069 166.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.42 ' CG2' HD13 ' A' ' 100' ' ' LEU . 78.1 t -139.75 134.42 38.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 126.121 1.768 . . . . 0.0 107.922 -178.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 39.2 t90 -147.49 143.74 28.08 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 177.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.501 HG12 ' HB1' ' A' ' 113' ' ' ALA . 1.0 OUTLIER -142.03 154.95 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 O-C-N 121.469 -0.769 . . . . 0.0 110.025 170.692 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.527 0 CA-C-O 120.916 0.389 . . . . 0.0 110.991 172.312 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.551 1.01 0 CA-C-O 120.614 0.245 . . . . 0.0 110.698 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.501 ' HB1' HG12 ' A' ' 105' ' ' VAL . . . -165.98 178.6 6.33 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 124.897 1.279 . . . . 0.0 113.741 -167.734 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -149.89 157.64 43.37 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.403 1.081 . . . . 0.0 113.819 172.355 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.589 HG11 ' CD2' ' A' ' 94' ' ' PHE . 32.6 m -143.35 172.2 7.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 CA-C-O 122.739 1.257 . . . . 0.0 113.29 169.503 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -152.34 127.88 10.05 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 127.05 2.14 . . . . 0.0 106.598 -177.756 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.442 ' CZ ' ' HB3' ' A' ' 94' ' ' PHE . 57.4 m-85 -109.03 155.87 20.41 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.138 1.375 . . . . 0.0 111.823 -173.249 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -68.95 -14.91 63.32 Favored 'General case' 0 CA--C 1.553 1.076 0 O-C-N 120.467 -1.396 . . . . 0.0 112.603 174.774 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -141.01 133.0 13.96 Favored Pre-proline 0 CA--C 1.553 1.074 0 C-N-CA 125.063 1.345 . . . . 0.0 112.525 -170.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -78.9 -24.48 7.01 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 123.395 2.73 . . . . 0.0 114.765 -175.455 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.96 -41.97 81.64 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 120.348 1.431 . . . . 0.0 110.259 171.54 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -66.63 -41.3 88.53 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.242 0.617 . . . . 0.0 112.346 174.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.1 -44.63 97.05 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 118.578 0.626 . . . . 0.0 112.335 171.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.15 -47.93 75.34 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.057 0.543 . . . . 0.0 111.492 178.668 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -61.57 -37.37 83.61 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.668 1.187 . . . . 0.0 112.302 178.132 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.37 -55.06 31.62 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 122.905 0.482 . . . . 0.0 110.232 169.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 35.1 t -51.92 -40.36 28.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 124.805 1.242 . . . . 0.0 113.518 177.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -78.92 -26.84 43.74 Favored 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 114.328 1.232 . . . . 0.0 114.328 -179.438 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -105.19 -21.61 13.22 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 -173.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.447 ' CD1' ' CE1' ' A' ' 94' ' ' PHE . 42.7 mt -80.91 -36.1 31.54 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.6 1.16 . . . . 0.0 113.988 176.307 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -65.02 147.49 53.39 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 115.225 1.565 . . . . 0.0 115.225 -168.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 66.3 -44.37 0.18 Allowed Glycine 0 CA--C 1.538 1.527 0 C-N-CA 128.959 3.171 . . . . 0.0 118.459 169.518 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 49.6 mtt85 -51.76 -56.49 13.53 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 127.688 2.395 . . . . 0.0 115.082 -169.194 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.6 m 149.41 150.32 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.958 1 C-N-CA 131.771 4.029 . . . . 0.0 107.322 -169.235 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -143.77 -60.71 0.4 Allowed 'General case' 0 N--CA 1.476 0.864 0 CA-C-O 119.107 -0.473 . . . . 0.0 111.583 171.201 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 27.7 t -67.19 -42.33 84.37 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 118.741 0.701 . . . . 0.0 111.611 169.669 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 158.18 4.51 0.07 OUTLIER Glycine 0 CA--C 1.541 1.662 0 N-CA-C 116.305 1.282 . . . . 0.0 116.305 -177.098 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 5.7 t -157.26 -170.56 3.3 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 127.077 2.151 . . . . 0.0 107.556 177.43 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -47.73 126.64 10.53 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.547 1.539 . . . . 0.0 113.408 -169.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 12.1 p -117.23 156.12 18.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 126.805 2.042 . . . . 0.0 109.98 177.186 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.01 134.61 47.53 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 126.962 2.105 . . . . 0.0 108.999 175.299 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 87.2 t -147.9 135.15 13.86 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 169.3 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 30.8 mp0 -141.15 168.47 19.71 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.095 0.958 . . . . 0.0 110.322 171.732 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -71.97 135.21 46.36 Favored 'General case' 0 CA--C 1.543 0.673 0 O-C-N 120.253 -1.529 . . . . 0.0 108.616 167.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 37.2 m . . . . . 0 N--CA 1.473 0.68 0 CA-C-O 121.668 0.747 . . . . 0.0 112.618 -179.609 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 . . . . . 0 CA--C 1.544 0.718 0 CA-C-O 121.064 0.459 . . . . 0.0 111.533 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.463 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 86.9 m-85 -125.6 154.89 41.59 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 127.49 2.316 . . . . 0.0 108.366 -178.746 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -107.34 162.61 13.75 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.563 1.145 . . . . 0.0 111.531 -178.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.608 HD22 ' HB3' ' A' ' 30' ' ' PHE . 14.6 tp -141.64 140.16 33.21 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 126.899 2.079 . . . . 0.0 110.369 171.5 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.3 mp -117.97 108.42 24.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 126.002 1.721 . . . . 0.0 108.813 173.169 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.524 HD21 HD21 ' A' ' 5' ' ' LEU . 68.3 mt -80.23 77.84 6.94 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.458 1.103 . . . . 0.0 108.283 169.126 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 . . . . . 0 CA--C 1.564 1.495 0 C-N-CA 125.819 1.648 . . . . 0.0 114.285 171.826 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.471 0.577 0 N-CA-C 118.216 2.673 . . . . 0.0 118.216 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.88 -165.42 25.25 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 117.69 1.836 . . . . 0.0 117.69 169.586 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -142.43 157.82 44.35 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.781 1.232 . . . . 0.0 111.853 -175.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.7 t -156.27 -177.16 6.39 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.418 1.487 . . . . 0.0 110.503 171.494 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 70.7 p -142.57 171.51 13.96 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.686 1.594 . . . . 0.0 110.806 174.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.9 t -158.98 149.39 19.6 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.37 -0.831 . . . . 0.0 111.743 173.001 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.1 tp10 -74.6 120.51 20.26 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 106.873 -1.528 . . . . 0.0 106.873 167.079 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -137.54 174.17 10.88 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.58 1.552 . . . . 0.0 112.0 177.456 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.3 p -84.05 -31.4 7.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 O-C-N 121.482 -0.762 . . . . 0.0 112.469 169.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.463 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 2.1 t70 167.46 -158.09 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.09 1 C-N-CA 132.227 4.211 . . . . 0.0 107.462 176.361 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.76 -22.46 2.14 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 120.467 -1.395 . . . . 0.0 114.135 169.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.91 -5.39 16.64 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.437 1.095 . . . . 0.0 113.628 173.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.0 m -135.48 -37.4 0.77 Allowed 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.646 1.578 . . . . 0.0 112.236 172.304 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.21 -38.66 91.14 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.717 1.207 . . . . 0.0 111.008 177.399 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -75.41 4.13 7.89 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 114.435 1.272 . . . . 0.0 114.435 178.288 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.42 ' HE3' HG23 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -131.89 18.52 4.62 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 120.428 -1.42 . . . . 0.0 111.532 172.884 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.42 HG23 ' HE3' ' A' ' 28' ' ' LYS . 3.6 t -120.06 -51.97 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 125.358 1.463 . . . . 0.0 110.094 178.013 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.608 ' HB3' HD22 ' A' ' 5' ' ' LEU . 23.3 m-85 -61.71 -26.33 67.97 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 176.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -54.4 -29.11 47.89 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.113 1.365 . . . . 0.0 113.164 173.638 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -82.79 -50.92 8.15 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.304 0.642 . . . . 0.0 110.406 178.135 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -60.08 -43.44 95.47 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.025 0.93 . . . . 0.0 112.231 179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.15 -51.99 67.4 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 121.322 -0.861 . . . . 0.0 111.064 178.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 59.4 m-80 -70.41 -18.55 63.02 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-O 117.915 -1.04 . . . . 0.0 113.769 -179.667 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . 0.323 1.1 p30 -86.16 -17.22 35.49 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 120.267 1.394 . . . . 0.0 114.116 171.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 58.9 m-80 -84.61 -41.14 16.68 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 166.414 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.29 -1.16 5.71 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 128.758 3.075 . . . . 0.0 115.436 171.226 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 55.7 t -80.77 154.13 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 CA-C-N 118.805 1.303 . . . . 0.0 113.079 177.505 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -169.32 48.52 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 126.029 1.732 . . . . 0.0 111.267 168.507 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.419 ' H ' HG22 ' A' ' 54' ' ' VAL . . . -83.37 -137.11 3.01 Favored Glycine 0 CA--C 1.538 1.528 0 C-N-CA 125.354 1.454 . . . . 0.0 116.135 -176.479 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -70.67 82.22 0.61 Allowed 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.477 1.111 . . . . 0.0 112.752 -176.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 80.4 m95 -59.95 109.68 1.01 Allowed 'General case' 0 C--O 1.236 0.344 0 O-C-N 120.113 -1.617 . . . . 0.0 110.515 -179.061 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.84 163.66 21.71 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 127.028 2.131 . . . . 0.0 110.968 -174.669 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -153.66 166.26 33.37 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.056 1.342 . . . . 0.0 111.14 179.313 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -139.79 158.2 44.49 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.058 1.343 . . . . 0.0 111.426 175.086 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.507 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -120.62 4.93 10.6 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 -177.298 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -102.18 -29.98 11.4 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.766 1.626 . . . . 0.0 111.73 170.634 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.4 t -126.11 1.17 7.2 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.273 1.029 . . . . 0.0 113.582 177.645 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.507 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 3.2 mmpt? 52.55 41.98 31.25 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.092 1.357 . . . . 0.0 113.631 168.697 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.2 m -122.84 112.81 18.32 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 125.708 1.603 . . . . 0.0 109.363 -170.265 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -66.08 160.09 24.64 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.127 0.971 . . . . 0.0 111.32 169.722 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 23.7 m -145.41 157.94 43.93 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 125.365 1.466 . . . . 0.0 108.201 169.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.461 ' CG1' HD23 ' A' ' 7' ' ' LEU . 13.2 p -157.29 82.26 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 C-N-CA 124.902 1.281 . . . . 0.0 110.922 -179.262 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 28.3 m . . . . . 0 N--CA 1.476 0.872 0 C-N-CA 124.186 0.994 . . . . 0.0 112.361 -177.747 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 38.2 mttm . . . . . 0 N--CA 1.47 0.538 0 CA-C-O 120.821 0.343 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 24.0 t -135.61 140.35 44.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 125.617 1.567 . . . . 0.0 111.042 -169.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -95.0 148.62 22.14 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 125.748 1.619 . . . . 0.0 108.962 168.572 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.568 HG13 ' HB3' ' A' ' 113' ' ' ALA . 0.2 OUTLIER -153.75 155.45 6.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 122.8 1.286 . . . . 0.0 112.897 174.785 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.224 0 C-N-CA 125.287 1.422 . . . . 0.0 110.441 168.479 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.25 15.6 pttp . . . . . 0 N--CA 1.485 1.287 0 N-CA-C 119.707 3.225 . . . . 0.0 119.707 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 66.8 m -47.79 -49.78 27.71 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 120.9 1.682 . . . . 0.0 115.053 -169.018 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -76.35 -45.87 30.09 Favored 'General case' 0 CA--C 1.529 0.157 0 O-C-N 121.54 -0.725 . . . . 0.0 111.662 -178.152 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.6 pp -61.31 -33.6 73.86 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.708 1.14 . . . . 0.0 111.915 176.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -61.44 -48.3 81.77 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.602 1.561 . . . . 0.0 112.178 175.573 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.52 -39.35 88.59 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 119.478 1.035 . . . . 0.0 111.873 171.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.01 -42.45 99.17 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 124.208 1.003 . . . . 0.0 111.987 -177.743 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.717 ' CD1' HD23 ' A' ' 130' ' ' LEU . 10.3 m-85 -68.14 -63.04 1.14 Allowed 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 124.918 1.287 . . . . 0.0 110.988 174.119 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.4 ' HA2' ' O ' ' A' ' 98' ' ' GLY . . . -57.66 -19.72 36.31 Favored Glycine 0 CA--C 1.545 1.951 0 N-CA-C 115.729 1.052 . . . . 0.0 115.729 -175.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -55.78 -49.1 74.08 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.828 2.051 . . . . 0.0 112.956 168.589 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.462 ' HE2' HD22 ' A' ' 130' ' ' LEU . 95.2 m-85 -65.85 -41.99 91.03 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.377 0.671 . . . . 0.0 110.484 173.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.4 ' O ' ' HA2' ' A' ' 95' ' ' GLY . . . -179.68 162.32 28.84 Favored Glycine 0 N--CA 1.471 1.005 0 CA-C-O 118.656 -1.08 . . . . 0.0 114.136 169.215 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -58.7 147.95 85.23 Favored 'Trans proline' 0 CA--C 1.534 0.488 0 C-N-CA 122.52 2.147 . . . . 0.0 114.772 -168.471 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.581 HD13 ' CG2' ' A' ' 103' ' ' VAL . 14.2 mt -100.31 140.72 34.15 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.967 1.707 . . . . 0.0 110.756 -175.209 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 27.2 ttp-105 -96.15 -29.03 14.29 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.288 1.435 . . . . 0.0 112.033 173.172 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 20.3 p -155.73 155.57 33.35 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.789 1.236 . . . . 0.0 111.889 168.358 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.581 ' CG2' HD13 ' A' ' 100' ' ' LEU . 11.2 t -143.37 136.22 24.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 125.547 1.539 . . . . 0.0 107.945 173.796 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 72.8 t90 -145.2 147.68 32.71 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 124.83 1.252 . . . . 0.0 111.105 -174.651 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.2 m -143.84 153.32 15.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 124.109 0.964 . . . . 0.0 110.317 176.125 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.544 0 CA-C-O 121.373 0.606 . . . . 0.0 111.443 -174.697 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.538 0.481 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.568 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -158.91 170.68 21.56 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 114.197 1.184 . . . . 0.0 114.197 -168.249 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -142.95 163.08 33.75 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.111 0.964 . . . . 0.0 111.833 169.599 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.498 HG21 ' CD2' ' A' ' 94' ' ' PHE . 1.4 t -152.52 163.31 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 125.523 1.529 . . . . 0.0 111.845 -171.324 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 60.1 tt0 -142.38 121.45 12.91 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.409 1.484 . . . . 0.0 107.608 165.593 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.418 ' CZ ' ' HB3' ' A' ' 94' ' ' PHE . 23.1 m-85 -84.36 168.55 15.49 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.555 -0.716 . . . . 0.0 112.507 178.109 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -74.94 -42.8 57.0 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 121.147 -0.97 . . . . 0.0 112.149 176.072 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -116.28 129.22 25.39 Favored Pre-proline 0 CA--C 1.547 0.843 0 C-N-CA 126.55 1.94 . . . . 0.0 108.568 174.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -50.92 -26.83 19.16 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 123.705 2.937 . . . . 0.0 114.722 173.407 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.27 -25.47 63.37 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 119.006 0.821 . . . . 0.0 112.993 173.029 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -68.81 -44.34 73.75 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 119.689 1.131 . . . . 0.0 110.233 169.666 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.82 -37.41 84.32 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.063 0.545 . . . . 0.0 111.861 171.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.34 -43.77 89.84 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.355 0.98 . . . . 0.0 112.431 173.64 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -56.64 -41.4 77.1 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 119.046 0.839 . . . . 0.0 111.696 171.096 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -73.43 -45.58 53.61 Favored 'General case' 0 CA--C 1.545 0.772 0 O-C-N 121.41 -0.806 . . . . 0.0 112.199 179.095 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 55.9 t -61.71 -26.72 40.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 O-C-N 119.764 -1.835 . . . . 0.0 112.342 174.327 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 31.1 ttp-105 -85.51 -37.91 19.15 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.425 1.09 . . . . 0.0 113.685 174.639 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -120.62 -26.59 5.28 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 116.3 1.963 . . . . 0.0 116.3 -167.715 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.717 HD23 ' CD1' ' A' ' 94' ' ' PHE . 6.7 tp -87.37 -19.73 27.72 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 126.012 1.725 . . . . 0.0 112.23 176.392 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -70.91 147.37 48.83 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.613 1.565 . . . . 0.0 113.366 169.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 60.26 -10.57 0.04 OUTLIER Glycine 0 CA--C 1.536 1.368 0 N-CA-C 122.013 3.565 . . . . 0.0 122.013 167.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -76.12 -83.4 0.07 Allowed 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 121.884 2.842 . . . . 0.0 110.387 -178.34 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 4.3 m -176.97 148.06 0.62 Allowed 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 129.792 3.237 . . . . 0.0 106.772 -177.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 15.9 tp -158.74 143.08 15.69 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 104.817 -2.29 . . . . 0.0 104.817 170.349 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 22.2 m 67.59 -49.94 0.51 Allowed 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.465 1.906 . . . . 0.0 111.262 -167.653 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 147.89 26.63 0.07 OUTLIER Glycine 0 CA--C 1.531 1.087 0 N-CA-C 118.662 2.225 . . . . 0.0 118.662 167.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 2.2 m -141.55 -73.29 0.33 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 120.247 2.023 . . . . 0.0 109.221 174.8 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -135.26 153.76 51.79 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.468 1.107 . . . . 0.0 111.691 179.406 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 8.6 p -143.89 144.17 23.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 C-N-CA 127.141 2.176 . . . . 0.0 108.557 169.796 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.38 129.35 18.48 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 126.065 1.746 . . . . 0.0 108.601 179.408 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 60.7 t -144.49 132.15 17.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 123.661 0.784 . . . . 0.0 108.958 -169.45 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -137.01 165.67 25.48 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.639 1.109 . . . . 0.0 111.378 177.727 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 16.0 tp -75.6 129.52 37.32 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 120.651 -1.28 . . . . 0.0 108.656 169.5 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 33.4 t . . . . . 0 N--CA 1.467 0.402 0 CA-C-O 121.531 0.682 . . . . 0.0 110.956 -173.484 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 . . . . . 0 CA--C 1.547 0.833 0 CA-C-O 120.945 0.402 . . . . 0.0 112.054 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.48 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 73.3 m-85 -125.97 158.44 35.23 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 127.515 2.326 . . . . 0.0 108.794 179.387 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 73.6 tttt -108.43 161.76 14.74 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.068 1.347 . . . . 0.0 111.575 -179.581 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.746 HD22 ' HB3' ' A' ' 30' ' ' PHE . 24.0 tp -142.11 142.68 32.81 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 127.024 2.13 . . . . 0.0 110.272 172.686 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.4 mp -117.17 127.48 74.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 126.164 1.786 . . . . 0.0 109.238 172.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.8 mp -109.16 64.79 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 129.046 2.938 . . . . 0.0 109.152 -174.093 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.1 t30 . . . . . 0 CA--C 1.549 0.94 0 C-N-CA 128.857 2.863 . . . . 0.0 117.016 -174.579 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . 0.278 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.978 0 N-CA-C 119.379 3.103 . . . . 0.0 119.379 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -172.94 -156.79 13.32 Favored Glycine 0 N--CA 1.469 0.867 0 N-CA-C 118.041 1.976 . . . . 0.0 118.041 170.417 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -145.35 163.89 33.16 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.831 1.653 . . . . 0.0 111.453 -176.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.3 t -159.01 -176.12 5.68 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.777 1.631 . . . . 0.0 111.015 170.189 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 65.8 p -142.9 168.16 20.37 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 126.244 1.818 . . . . 0.0 110.93 173.495 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.621 HG21 ' CG1' ' A' ' 29' ' ' VAL . 4.8 t -156.07 149.77 24.99 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.367 1.067 . . . . 0.0 111.085 177.418 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -77.63 119.24 20.9 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 167.682 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.45 175.4 9.64 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.284 1.434 . . . . 0.0 113.096 176.397 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 50.0 t -84.85 -38.44 13.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 O-C-N 121.345 -0.847 . . . . 0.0 111.673 170.56 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.48 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 2.8 t70 174.69 -156.8 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 131.248 3.819 . . . . 0.0 106.891 173.243 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.82 -21.44 1.68 Allowed 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 120.618 1.554 . . . . 0.0 114.082 169.544 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.18 -7.32 22.73 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.971 1.309 . . . . 0.0 113.848 173.694 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 53.4 m -138.0 -36.1 0.62 Allowed 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.977 1.711 . . . . 0.0 112.218 176.364 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.422 ' HA ' HG12 ' A' ' 29' ' ' VAL . . . -64.9 -36.15 83.43 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.047 1.339 . . . . 0.0 110.594 175.729 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -77.66 5.51 9.09 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 114.993 1.479 . . . . 0.0 114.993 178.189 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.61 16.43 3.98 Favored 'General case' 0 N--CA 1.464 0.265 0 O-C-N 120.415 -1.428 . . . . 0.0 111.932 173.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.621 ' CG1' HG21 ' A' ' 18' ' ' THR . 3.1 p -124.38 -41.02 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 124.205 1.002 . . . . 0.0 112.411 -179.686 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.746 ' HB3' HD22 ' A' ' 5' ' ' LEU . 23.9 m-85 -65.16 -29.62 70.47 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 118.997 -0.525 . . . . 0.0 111.826 170.36 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -55.22 -28.76 55.43 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.046 1.338 . . . . 0.0 113.146 177.697 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.44 -57.17 3.91 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 122.996 0.518 . . . . 0.0 110.445 175.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -63.69 -38.97 93.1 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.574 1.15 . . . . 0.0 112.473 -174.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.531 ' HB1' HG23 ' A' ' 39' ' ' VAL . . . -55.81 -52.78 62.81 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 125.204 1.402 . . . . 0.0 111.181 174.011 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 -63.2 -22.69 67.03 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 177.208 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -81.25 -27.81 35.02 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 119.336 0.971 . . . . 0.0 113.463 174.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -76.75 -45.25 29.92 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 107.132 -1.432 . . . . 0.0 107.132 168.424 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 139.23 -8.04 3.19 Favored Glycine 0 CA--C 1.529 0.952 0 C-N-CA 127.1 2.286 . . . . 0.0 114.159 167.787 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.531 HG23 ' HB1' ' A' ' 34' ' ' ALA . 2.7 m -70.08 153.77 8.44 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.109 0.964 . . . . 0.0 113.367 176.798 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -168.92 22.59 0.02 OUTLIER 'General case' 0 CA--C 1.56 1.336 0 N-CA-C 115.53 1.678 . . . . 0.0 115.53 169.471 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.99 -131.18 0.58 Allowed Glycine 0 CA--C 1.541 1.71 0 C-N-CA 127.299 2.38 . . . . 0.0 116.194 -171.753 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -71.77 81.4 0.87 Allowed 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.067 1.347 . . . . 0.0 112.621 -175.494 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 87.3 m95 -60.23 118.51 6.46 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 124.675 1.19 . . . . 0.0 110.836 179.729 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.74 163.46 22.79 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 126.796 2.039 . . . . 0.0 110.916 -172.833 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -151.28 167.08 28.98 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.848 1.259 . . . . 0.0 111.219 177.327 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -139.65 125.26 19.32 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.57 1.548 . . . . 0.0 108.974 170.442 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.46 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 3.5 m-20 -84.48 -3.14 58.21 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 115.1 1.518 . . . . 0.0 115.1 -175.28 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -107.73 -29.49 9.08 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.066 1.346 . . . . 0.0 112.29 -178.353 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.1 t -111.63 0.46 16.37 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.671 0.789 . . . . 0.0 112.686 172.286 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.46 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 4.1 mmpt? 54.61 39.59 31.3 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 126.122 1.769 . . . . 0.0 113.008 169.472 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.9 m -122.74 108.8 13.46 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.93 1.292 . . . . 0.0 109.904 -170.222 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -64.71 161.64 17.46 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 122.395 1.093 . . . . 0.0 111.33 169.411 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 26.5 m -145.46 159.01 43.72 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 125.5 1.52 . . . . 0.0 107.519 169.48 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.2 p -148.28 124.03 2.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 C-N-CA 126.768 2.027 . . . . 0.0 106.473 171.701 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.6 m . . . . . 0 N--CA 1.474 0.749 0 CA-C-O 121.863 0.839 . . . . 0.0 111.328 -176.789 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . 0.253 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.974 0 CA-C-O 121.617 0.722 . . . . 0.0 112.555 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 55.8 t -127.27 143.47 40.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 127.733 2.413 . . . . 0.0 111.789 -168.46 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -93.94 148.82 21.78 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 126.295 1.838 . . . . 0.0 110.839 170.184 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.554 HG13 ' HB3' ' A' ' 113' ' ' ALA . 0.9 OUTLIER -152.21 148.77 14.18 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.151 0 CA-C-O 122.706 1.241 . . . . 0.0 113.14 169.664 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.896 0 C-N-CA 125.435 1.493 . . . . 0.0 109.376 168.651 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.4 pttp . . . . . 0 N--CA 1.479 1.022 0 N-CA-C 119.578 3.177 . . . . 0.0 119.578 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 19.1 m -45.66 -56.88 4.69 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 126.076 1.75 . . . . 0.0 115.365 -169.125 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 50.9 tt0 -75.95 -43.93 42.47 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 121.454 -0.779 . . . . 0.0 111.219 -175.1 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.419 HD12 ' N ' ' A' ' 91' ' ' GLU . 3.5 pp -60.98 -34.06 74.19 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 119.314 0.961 . . . . 0.0 112.034 177.102 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.419 ' N ' HD12 ' A' ' 90' ' ' LEU . 31.8 tt0 -63.37 -46.4 86.69 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 124.759 1.224 . . . . 0.0 111.707 177.225 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.2 -36.98 82.87 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 119.155 0.888 . . . . 0.0 112.197 170.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.06 -44.95 95.57 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.096 0.958 . . . . 0.0 111.567 -177.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.488 ' HB2' HD11 ' A' ' 100' ' ' LEU . 12.5 m-85 -66.6 -64.09 0.93 Allowed 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 124.898 1.279 . . . . 0.0 112.011 174.49 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.44 -19.18 46.53 Favored Glycine 0 CA--C 1.546 1.974 0 N-CA-C 115.323 0.889 . . . . 0.0 115.323 -173.462 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -54.94 -49.3 71.69 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.987 1.715 . . . . 0.0 113.218 168.497 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -69.61 -41.06 76.19 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.431 0.692 . . . . 0.0 111.125 176.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -172.13 155.58 23.89 Favored Glycine 0 N--CA 1.472 1.059 0 CA-C-O 118.177 -1.346 . . . . 0.0 113.51 169.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -57.18 141.67 94.42 Favored 'Trans proline' 0 N--CA 1.462 -0.362 0 CA-C-N 121.255 2.527 . . . . 0.0 114.562 -169.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.581 HD13 ' CG2' ' A' ' 103' ' ' VAL . 17.9 mt -87.05 159.27 19.01 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.461 1.504 . . . . 0.0 111.475 171.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 33.1 ttp-105 -118.78 -30.46 5.09 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.679 1.592 . . . . 0.0 111.983 171.329 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.2 m -144.96 148.56 33.94 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.821 1.249 . . . . 0.0 110.706 169.059 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.581 ' CG2' HD13 ' A' ' 100' ' ' LEU . 68.8 t -138.17 131.06 40.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 125.452 1.501 . . . . 0.0 107.749 171.346 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 77.1 t90 -139.38 144.08 38.02 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 125.333 1.453 . . . . 0.0 110.04 -170.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 10.5 m -144.53 155.52 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 C-N-CA 124.391 1.076 . . . . 0.0 108.887 177.346 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.403 0 C-N-CA 122.805 0.442 . . . . 0.0 110.187 176.425 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.544 0.734 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.554 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -163.61 175.92 10.17 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 -166.608 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -147.35 147.52 30.4 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.476 0.71 . . . . 0.0 111.733 172.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.441 HG11 ' CE2' ' A' ' 94' ' ' PHE . 17.1 m -135.5 170.8 18.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 O-C-N 120.734 -1.229 . . . . 0.0 112.993 178.002 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 48.9 tt0 -141.48 110.2 6.09 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 125.745 1.618 . . . . 0.0 107.785 179.471 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -75.86 160.56 29.81 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 173.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -58.01 -44.38 87.21 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.773 -0.579 . . . . 0.0 111.557 174.217 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -139.16 148.2 56.35 Favored Pre-proline 0 CA--C 1.546 0.802 0 O-C-N 120.956 -1.09 . . . . 0.0 111.531 -179.428 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_exo -49.74 -34.55 36.01 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 124.26 3.307 . . . . 0.0 115.253 177.534 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.34 -31.07 71.66 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 173.506 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -74.25 -44.43 52.99 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 118.327 0.512 . . . . 0.0 110.989 174.762 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.82 -39.21 88.16 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 172.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.13 -48.58 73.08 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 118.838 0.745 . . . . 0.0 112.324 176.391 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -58.04 -42.19 84.84 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 118.932 0.787 . . . . 0.0 111.817 174.187 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.78 -62.82 1.4 Allowed 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 123.146 0.579 . . . . 0.0 109.949 177.587 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 46.5 t -50.2 -40.46 17.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.559 1.144 . . . . 0.0 112.276 -179.577 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 37.9 ttp-105 -63.27 -42.06 99.09 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 177.527 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -102.06 -12.97 17.73 Favored 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 115.764 1.764 . . . . 0.0 115.764 -177.311 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.422 ' CD2' ' CD1' ' A' ' 94' ' ' PHE . 12.3 tp -106.63 -18.19 14.03 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 126.222 1.809 . . . . 0.0 113.584 -169.145 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -81.84 158.93 23.86 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 124.966 1.306 . . . . 0.0 113.149 177.242 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 60.17 -17.39 0.04 OUTLIER Glycine 0 CA--C 1.54 1.608 0 C-N-CA 129.129 3.252 . . . . 0.0 120.265 169.297 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 60.7 mtt85 -86.82 -37.48 17.73 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-N 119.413 1.607 . . . . 0.0 114.932 -169.32 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.4 t 123.57 160.23 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.627 1 C-N-CA 133.541 4.737 . . . . 0.0 110.245 -178.248 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 58.1 tp -161.66 138.89 8.65 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 127.664 2.386 . . . . 0.0 105.599 -178.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 53.0 m 66.17 -54.4 0.39 Allowed 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 125.002 1.321 . . . . 0.0 110.528 -167.733 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 141.7 60.64 0.03 OUTLIER Glycine 0 C--N 1.349 1.259 0 N-CA-C 118.544 2.178 . . . . 0.0 118.544 167.163 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 43.8 t -155.5 -61.77 0.11 Allowed 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 118.999 1.4 . . . . 0.0 111.721 169.091 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -164.56 150.06 10.17 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 126.283 1.833 . . . . 0.0 109.901 174.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 9.2 p -133.32 145.63 33.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 124.118 0.967 . . . . 0.0 112.397 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.99 121.78 28.69 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 128.015 2.526 . . . . 0.0 107.097 169.549 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 24.0 t -138.49 126.59 29.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 106.756 -1.572 . . . . 0.0 106.756 176.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -144.47 177.34 8.72 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 121.034 -1.041 . . . . 0.0 111.765 -169.546 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 9.5 mp -83.69 128.13 34.3 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 120.246 -1.534 . . . . 0.0 108.252 169.343 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.475 0.824 0 C-N-CA 123.179 0.592 . . . . 0.0 111.458 177.12 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 . . . . . 0 N--CA 1.472 0.634 0 CA-C-O 121.265 0.555 . . . . 0.0 111.73 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.472 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 81.1 m-85 -122.53 153.17 39.57 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 127.158 2.183 . . . . 0.0 108.527 -175.473 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -105.95 163.13 13.0 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.344 1.058 . . . . 0.0 111.285 178.323 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.581 HD22 ' HB3' ' A' ' 30' ' ' PHE . 13.9 tp -144.18 139.14 28.59 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 127.023 2.129 . . . . 0.0 109.819 172.547 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.6 mp -115.0 109.02 26.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 125.867 1.667 . . . . 0.0 108.324 171.289 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.559 HD21 HD21 ' A' ' 5' ' ' LEU . 78.4 mt -77.35 74.79 3.91 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 124.804 1.242 . . . . 0.0 109.153 169.622 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.481 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 26.7 t30 . . . . . 0 CA--C 1.553 1.096 0 C-N-CA 125.825 1.65 . . . . 0.0 114.813 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.472 0.67 0 N-CA-C 119.308 3.077 . . . . 0.0 119.308 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -166.63 -155.14 8.75 Favored Glycine 0 CA--C 1.533 1.188 0 CA-C-N 114.043 -1.435 . . . . 0.0 115.885 169.32 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -158.93 163.76 36.24 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.773 1.629 . . . . 0.0 112.275 -175.767 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.8 t -159.0 -174.96 5.01 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 126.185 1.794 . . . . 0.0 110.391 174.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 78.2 p -141.01 172.26 12.92 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.612 1.565 . . . . 0.0 110.522 172.136 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.3 t -158.88 152.47 23.01 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 121.131 -0.98 . . . . 0.0 111.538 173.416 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -79.29 123.61 27.61 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 167.167 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.408 ' HB3' ' CD1' ' A' ' 3' ' ' TYR . . . -143.93 173.93 11.28 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.115 1.766 . . . . 0.0 112.077 -178.416 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.1 p -86.36 -31.61 6.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 O-C-N 121.567 -0.708 . . . . 0.0 112.75 171.672 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.472 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 2.1 t70 167.82 -157.79 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.077 1 C-N-CA 131.992 4.117 . . . . 0.0 107.588 176.017 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.62 -22.49 2.04 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 120.439 -1.413 . . . . 0.0 114.194 169.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.95 -4.68 13.87 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.28 1.032 . . . . 0.0 113.756 173.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.5 m -137.07 -37.29 0.65 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.482 1.513 . . . . 0.0 112.278 173.144 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.22 -38.73 91.34 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.726 1.21 . . . . 0.0 111.088 176.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -74.51 3.3 7.85 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 179.363 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.412 ' HE3' HG23 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -132.65 19.96 4.26 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 125.557 1.543 . . . . 0.0 111.729 174.447 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.412 HG23 ' HE3' ' A' ' 28' ' ' LYS . 3.8 t -124.15 -48.94 2.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 124.94 1.296 . . . . 0.0 109.892 177.731 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.581 ' HB3' HD22 ' A' ' 5' ' ' LEU . 23.7 m-85 -62.5 -29.74 70.76 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 176.187 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -55.82 -32.55 63.67 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.192 0.997 . . . . 0.0 112.249 174.138 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -75.47 -51.69 12.43 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.239 0.616 . . . . 0.0 109.951 -179.419 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -61.62 -43.6 98.55 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.896 1.278 . . . . 0.0 112.529 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.74 -50.78 71.2 Favored 'General case' 0 N--CA 1.453 -0.281 0 O-C-N 121.267 -0.896 . . . . 0.0 111.249 178.8 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -70.88 -18.87 62.67 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-O 117.847 -1.073 . . . . 0.0 113.5 -179.304 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . 0.316 1.4 p30 -88.91 -17.79 28.84 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 120.146 1.339 . . . . 0.0 114.002 172.727 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 -81.79 -40.63 22.31 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 166.459 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.19 -3.56 7.28 Favored Glycine 0 CA--C 1.534 1.267 0 C-N-CA 128.698 3.047 . . . . 0.0 114.909 173.04 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.507 HG21 ' HB3' ' A' ' 7' ' ' LEU . 16.4 t -75.41 150.01 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 CA-C-N 118.898 1.349 . . . . 0.0 111.366 179.178 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -167.76 89.59 0.3 Allowed 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 113.522 -1.672 . . . . 0.0 108.772 167.675 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.652 ' H ' HG22 ' A' ' 54' ' ' VAL . . . -119.15 -149.64 8.57 Favored Glycine 0 CA--C 1.534 1.275 0 N-CA-C 116.992 1.557 . . . . 0.0 116.992 -178.346 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -67.24 88.99 0.19 Allowed 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.613 1.165 . . . . 0.0 111.719 174.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 82.1 m95 -61.54 116.51 4.78 Favored 'General case' 0 C--O 1.234 0.274 0 O-C-N 120.822 -1.174 . . . . 0.0 110.381 179.254 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.11 163.83 24.63 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 126.862 2.065 . . . . 0.0 110.811 -171.2 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -154.72 165.2 37.31 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.344 1.058 . . . . 0.0 111.975 -178.069 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -143.14 151.47 40.73 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.913 2.085 . . . . 0.0 109.647 -176.033 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.47 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -123.7 5.52 8.83 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 114.994 1.479 . . . . 0.0 114.994 -177.296 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -93.49 -29.53 15.49 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.718 1.207 . . . . 0.0 110.639 169.646 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.73 -7.22 4.56 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.021 0.928 . . . . 0.0 113.274 -176.054 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.47 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 1.8 mmpt? 61.01 44.49 10.32 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 126.191 1.797 . . . . 0.0 112.753 179.254 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 89.2 m -117.83 108.08 14.91 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.781 0.833 . . . . 0.0 111.547 -172.273 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -63.4 159.93 17.21 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 122.025 0.917 . . . . 0.0 110.712 168.503 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.5 m -146.06 158.97 43.88 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 124.989 1.316 . . . . 0.0 107.942 170.186 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.652 HG22 ' H ' ' A' ' 41' ' ' GLY . 14.0 p -152.29 89.49 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 122.399 1.095 . . . . 0.0 111.129 177.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.481 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 18.3 m . . . . . 0 N--CA 1.472 0.653 0 CA-C-O 122.294 1.045 . . . . 0.0 112.236 -178.078 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.471 0.581 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 82.7 t -122.4 137.62 55.3 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 C-N-CA 125.061 1.344 . . . . 0.0 112.298 -167.577 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -91.16 150.12 21.51 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 124.763 1.225 . . . . 0.0 109.25 168.411 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.656 HG13 ' HB3' ' A' ' 113' ' ' ALA . 0.2 OUTLIER -146.37 133.51 14.6 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.261 0 CA-C-O 121.331 0.586 . . . . 0.0 110.551 169.069 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.736 0 N-CA-C 116.061 1.184 . . . . 0.0 116.061 178.53 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.5 pttp . . . . . 0 N--CA 1.487 1.376 0 N-CA-C 120.881 3.66 . . . . 0.0 120.881 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 95.8 m -47.5 -49.1 26.76 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 126.894 2.078 . . . . 0.0 114.619 -168.629 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -77.44 -44.84 27.66 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 119.006 0.821 . . . . 0.0 111.553 -178.14 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.434 HD12 ' N ' ' A' ' 91' ' ' GLU . 3.3 pp -62.52 -35.66 80.12 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 119.626 1.103 . . . . 0.0 111.71 177.7 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.434 ' N ' HD12 ' A' ' 90' ' ' LEU . 37.6 tt0 -64.37 -47.65 78.49 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.563 1.545 . . . . 0.0 112.027 178.581 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.8 ppt_? -66.59 -38.52 87.2 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 118.938 0.79 . . . . 0.0 111.485 171.388 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.36 -40.95 98.08 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 123.904 0.882 . . . . 0.0 111.702 -177.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.436 ' CE2' HG11 ' A' ' 115' ' ' VAL . 13.4 m-85 -69.42 -64.92 0.78 Allowed 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 124.076 0.95 . . . . 0.0 111.803 172.23 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -57.85 -18.62 33.33 Favored Glycine 0 CA--C 1.548 2.106 0 N-CA-C 115.706 1.043 . . . . 0.0 115.706 -175.546 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -53.41 -49.94 66.22 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.525 1.93 . . . . 0.0 112.879 168.445 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -70.69 -44.43 67.0 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.643 0.777 . . . . 0.0 111.079 178.301 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -168.78 160.19 33.57 Favored Glycine 0 N--CA 1.478 1.44 0 CA-C-O 118.472 -1.182 . . . . 0.0 113.266 174.595 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -67.06 138.63 48.23 Favored 'Trans proline' 0 CA--C 1.534 0.493 0 CA-C-N 121.417 2.609 . . . . 0.0 113.577 -169.597 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.497 HD13 ' CG2' ' A' ' 103' ' ' VAL . 14.7 mt -77.91 154.74 31.39 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.631 1.572 . . . . 0.0 112.181 177.658 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 26.2 ttp180 -110.02 -27.64 9.1 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 126.576 1.95 . . . . 0.0 111.975 170.717 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 13.8 m -157.6 151.43 24.2 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.227 1.411 . . . . 0.0 111.997 169.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.497 ' CG2' HD13 ' A' ' 100' ' ' LEU . 72.2 t -137.5 131.21 43.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 125.34 1.456 . . . . 0.0 109.046 170.378 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 65.2 t90 -137.32 144.01 42.38 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 127.326 2.251 . . . . 0.0 108.749 -178.449 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 35.8 m -142.95 30.05 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.352 0 CA-C-O 123.503 1.621 . . . . 0.0 112.848 -169.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.789 0 C-N-CA 130.549 3.54 . . . . 0.0 117.589 -171.457 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . 0.277 0.0 OUTLIER . . . . . 0 CA--C 1.54 0.57 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.656 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -174.6 173.07 2.94 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 127.713 2.405 . . . . 0.0 110.652 -170.274 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -145.16 141.36 28.67 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.026 0.93 . . . . 0.0 110.106 170.642 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.436 HG11 ' CE2' ' A' ' 94' ' ' PHE . 9.7 m -135.57 172.34 15.91 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 O-C-N 120.667 -1.27 . . . . 0.0 112.658 -177.248 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -147.67 137.97 23.04 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 124.727 1.211 . . . . 0.0 109.208 169.62 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.491 ' HB2' ' HB2' ' A' ' 123' ' ' ALA . 45.9 m-85 -96.75 168.83 10.27 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.18 0.992 . . . . 0.0 112.444 178.411 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -70.52 -27.74 64.41 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 172.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -144.78 126.67 8.0 Favored Pre-proline 0 CA--C 1.548 0.89 0 C-N-CA 124.569 1.148 . . . . 0.0 111.243 -172.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.457 ' HA ' ' HB3' ' A' ' 123' ' ' ALA . 62.7 Cg_endo -68.67 -20.14 40.82 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 123.582 2.855 . . . . 0.0 114.144 -174.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 21.1 ttp-105 -59.63 -49.11 79.01 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 120.211 1.369 . . . . 0.0 109.411 169.101 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -76.29 -33.99 59.09 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.949 -176.696 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.491 ' HB2' ' HB2' ' A' ' 117' ' ' PHE . . . -59.03 -43.59 91.65 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.301 0.641 . . . . 0.0 111.552 169.765 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -68.8 -41.86 78.13 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.636 0.775 . . . . 0.0 111.914 178.52 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -61.59 -41.0 96.77 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 118.515 0.598 . . . . 0.0 111.579 174.565 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.76 -55.75 20.82 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.343 1.057 . . . . 0.0 110.984 174.59 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 24.3 t -51.13 -47.54 31.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 125.271 1.429 . . . . 0.0 111.66 176.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 32.4 ttp-105 -57.62 -44.09 85.25 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.089 0.956 . . . . 0.0 111.839 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -95.73 -13.52 24.11 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 114.828 1.418 . . . . 0.0 114.828 -172.674 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 32.6 mt -87.01 -39.61 15.5 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.292 1.437 . . . . 0.0 113.331 175.325 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -63.0 149.08 45.82 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 114.621 1.341 . . . . 0.0 114.621 -169.635 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 61.19 -14.75 0.05 OUTLIER Glycine 0 CA--C 1.541 1.712 0 N-CA-C 120.292 2.877 . . . . 0.0 120.292 168.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 69.8 mtt85 -81.14 -65.56 1.0 Allowed 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 119.059 1.43 . . . . 0.0 113.425 -168.715 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 6.1 m 149.47 143.32 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.324 1 C-N-CA 131.97 4.108 . . . . 0.0 106.934 -169.719 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 42.3 tp -146.63 -59.59 0.29 Allowed 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.286 0.635 . . . . 0.0 111.098 175.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 15.8 t -91.62 -46.56 7.87 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.405 0.682 . . . . 0.0 110.648 171.601 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 155.47 51.16 0.01 OUTLIER Glycine 0 CA--C 1.533 1.195 0 N-CA-C 114.963 0.745 . . . . 0.0 114.963 170.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 5.8 t -149.27 -153.74 0.51 Allowed 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 124.503 1.121 . . . . 0.0 111.654 -172.185 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -110.77 61.96 0.61 Allowed 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 127.081 2.152 . . . . 0.0 110.396 -174.835 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 48.9 t -43.29 136.43 0.91 Allowed 'Isoleucine or valine' 0 CA--C 1.519 -0.244 0 C-N-CA 128.967 2.907 . . . . 0.0 113.932 -167.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.51 124.27 41.91 Favored 'General case' 0 CA--C 1.512 -0.505 0 C-N-CA 126.403 1.881 . . . . 0.0 106.46 169.478 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 78.5 t -141.22 115.33 5.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 105.5 -2.037 . . . . 0.0 105.5 170.771 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -141.69 -178.5 5.68 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 118.956 0.798 . . . . 0.0 112.871 -167.578 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 13.7 tp -80.61 128.73 33.95 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 120.753 -1.217 . . . . 0.0 108.272 168.291 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 59.9 p . . . . . 0 CA--C 1.543 0.678 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 -171.811 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 . . . . . 0 CA--C 1.545 0.755 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.413 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 86.5 m-85 -127.75 158.32 37.98 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 127.553 2.341 . . . . 0.0 108.885 176.86 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -109.51 161.88 14.91 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.945 1.298 . . . . 0.0 111.568 -179.039 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.623 HD22 ' HB3' ' A' ' 30' ' ' PHE . 17.5 tp -143.15 140.84 30.98 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 126.676 1.99 . . . . 0.0 110.547 173.495 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mp -114.9 129.8 70.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 126.644 1.978 . . . . 0.0 107.853 169.454 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.565 HD21 HD21 ' A' ' 5' ' ' LEU . 78.0 mt -106.93 69.39 0.76 Allowed 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 127.951 2.5 . . . . 0.0 110.721 173.262 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 . . . . . 0 CA--C 1.545 0.76 0 O-C-N 120.678 -1.264 . . . . 0.0 111.139 169.329 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.9 0 N-CA-C 115.716 1.747 . . . . 0.0 115.716 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -161.46 -171.0 26.91 Favored Glycine 0 C--O 1.223 -0.539 0 N-CA-C 118.537 2.175 . . . . 0.0 118.537 172.979 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -152.2 156.85 40.56 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.23 1.412 . . . . 0.0 111.812 178.01 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.1 t -158.45 -176.15 5.73 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 126.123 1.769 . . . . 0.0 110.074 -175.544 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 65.3 p -142.51 169.97 16.59 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.506 1.523 . . . . 0.0 111.095 176.738 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.614 HG21 ' CG1' ' A' ' 29' ' ' VAL . 4.9 t -155.65 149.56 25.39 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.328 1.051 . . . . 0.0 111.06 176.589 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -77.5 119.92 21.76 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 107.394 -1.335 . . . . 0.0 107.394 167.78 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.01 175.89 9.17 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.001 1.32 . . . . 0.0 113.43 177.358 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 68.0 t -81.4 -46.61 20.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 O-C-N 121.291 -0.881 . . . . 0.0 110.584 169.566 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.413 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 4.6 t70 178.32 -156.95 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 130.846 3.658 . . . . 0.0 106.098 177.22 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.03 -20.72 1.49 Allowed 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 120.92 1.691 . . . . 0.0 114.36 170.504 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.93 -9.71 23.34 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.452 1.101 . . . . 0.0 113.808 172.17 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 54.5 m -140.76 -31.85 0.59 Allowed 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.739 1.616 . . . . 0.0 112.518 178.86 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.416 ' HA ' HG12 ' A' ' 29' ' ' VAL . . . -68.57 -36.65 79.05 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.58 1.152 . . . . 0.0 110.62 173.25 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -78.99 6.57 9.01 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 114.832 1.419 . . . . 0.0 114.832 179.625 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.64 19.12 3.89 Favored 'General case' 0 N--CA 1.463 0.204 0 O-C-N 120.573 -1.33 . . . . 0.0 111.408 172.893 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.614 ' CG1' HG21 ' A' ' 18' ' ' THR . 3.6 p -125.73 -42.13 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 124.021 0.929 . . . . 0.0 112.263 178.248 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.623 ' HB3' HD22 ' A' ' 5' ' ' LEU . 23.2 m-85 -64.77 -26.22 68.26 Favored 'General case' 0 C--O 1.224 -0.273 0 O-C-N 121.706 -0.621 . . . . 0.0 112.246 170.261 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.406 ' HD3' ' CZ2' ' A' ' 43' ' ' TRP . 33.8 mmtp -56.67 -28.38 60.64 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.883 1.273 . . . . 0.0 112.855 173.935 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -79.85 -52.22 8.17 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 118.706 0.685 . . . . 0.0 110.79 176.645 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -62.48 -41.0 98.49 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.215 1.006 . . . . 0.0 112.222 -179.337 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.49 -49.51 77.26 Favored 'General case' 0 N--CA 1.453 -0.286 0 O-C-N 121.317 -0.864 . . . . 0.0 111.426 -179.355 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 59.0 m-80 -69.91 -19.98 63.38 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 178.708 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -79.54 -30.91 41.95 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 173.639 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 57.5 m-80 -80.83 -32.28 35.24 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 118.4 0.545 . . . . 0.0 109.549 168.688 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.36 12.93 9.3 Favored Glycine 0 CA--C 1.53 1.003 0 C-N-CA 128.125 2.774 . . . . 0.0 116.2 169.193 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 51.9 t -92.6 150.82 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.881 1.273 . . . . 0.0 112.105 172.721 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -165.22 51.35 0.1 Allowed 'General case' 0 CA--C 1.548 0.886 0 CA-C-O 123.03 1.395 . . . . 0.0 110.276 168.414 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -75.85 -149.25 2.47 Favored Glycine 0 CA--C 1.544 1.883 0 C-N-CA 125.304 1.431 . . . . 0.0 115.767 178.874 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -69.22 92.9 0.58 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.275 1.43 . . . . 0.0 112.438 179.827 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.406 ' CZ2' ' HD3' ' A' ' 31' ' ' LYS . 96.0 m95 -65.41 113.1 3.87 Favored 'General case' 0 C--O 1.235 0.339 0 O-C-N 120.677 -1.264 . . . . 0.0 109.975 179.526 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 24.6 m -133.07 161.53 34.13 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 127.898 2.479 . . . . 0.0 108.502 -169.215 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -155.07 167.71 29.46 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.855 1.262 . . . . 0.0 111.116 -169.659 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -141.37 150.43 42.4 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.23 1.412 . . . . 0.0 110.368 176.971 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.474 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -115.49 5.09 14.38 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 -176.61 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -102.46 -29.78 11.4 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.782 1.633 . . . . 0.0 111.71 171.234 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.0 t -125.45 2.04 7.67 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.329 1.052 . . . . 0.0 113.469 178.053 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.474 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 3.2 mmpt? 51.29 42.61 29.17 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.032 1.333 . . . . 0.0 113.191 168.821 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.8 m -120.62 111.74 18.02 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 125.907 1.683 . . . . 0.0 109.0 -171.355 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -65.04 156.63 30.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 122.1 0.952 . . . . 0.0 109.836 169.173 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.5 m -146.73 137.1 23.71 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 106.737 -1.579 . . . . 0.0 106.737 169.745 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.412 ' CG1' HD23 ' A' ' 7' ' ' LEU . 8.6 p -131.04 125.74 58.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 175.681 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 89.9 m . . . . . 0 N--CA 1.469 0.478 0 C-N-CA 123.203 0.601 . . . . 0.0 110.475 -169.848 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 54.9 mttp . . . . . 0 N--CA 1.47 0.525 0 CA-C-O 122.226 1.012 . . . . 0.0 112.139 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.3 t -139.53 137.75 40.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 125.953 1.701 . . . . 0.0 111.539 -170.082 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -88.85 146.54 24.9 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 125.65 1.58 . . . . 0.0 108.006 167.666 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -149.15 154.57 9.4 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.441 0 CA-C-O 122.316 1.055 . . . . 0.0 111.333 171.031 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.744 0 N-CA-C 108.367 -1.893 . . . . 0.0 108.367 168.095 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.472 0.657 0 N-CA-C 115.767 1.766 . . . . 0.0 115.767 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 32.8 m -51.54 -64.19 0.89 Allowed 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 115.584 1.698 . . . . 0.0 115.584 -168.133 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -75.06 -41.42 59.05 Favored 'General case' 0 CA--C 1.53 0.183 0 O-C-N 121.041 -1.037 . . . . 0.0 110.857 -174.682 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.9 pp -58.79 -35.93 73.62 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 119.551 1.069 . . . . 0.0 111.806 176.033 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -60.93 -48.13 83.23 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 119.578 1.081 . . . . 0.0 112.335 174.57 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.94 -40.1 91.05 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 119.564 1.075 . . . . 0.0 111.992 174.36 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.8 -39.21 93.71 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 124.427 1.091 . . . . 0.0 112.018 -178.01 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.476 ' CD2' HG21 ' A' ' 115' ' ' VAL . 10.7 m-85 -72.07 -63.15 1.2 Allowed 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 125.346 1.458 . . . . 0.0 111.968 173.301 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -62.09 -13.8 43.48 Favored Glycine 0 CA--C 1.544 1.856 0 N-CA-C 115.557 0.983 . . . . 0.0 115.557 -176.992 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -55.07 -47.1 75.31 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.629 1.571 . . . . 0.0 111.695 167.392 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -67.39 -45.33 76.52 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.773 0.829 . . . . 0.0 110.116 172.776 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 174.46 165.02 30.31 Favored Glycine 0 N--CA 1.476 1.301 0 N-CA-C 115.363 0.905 . . . . 0.0 115.363 169.082 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -57.65 138.74 87.59 Favored 'Trans proline' 0 CA--C 1.536 0.591 0 C-N-CA 122.744 2.296 . . . . 0.0 114.688 -168.277 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.419 ' HA ' ' HA ' ' A' ' 117' ' ' PHE . 0.2 OUTLIER -118.04 142.47 47.36 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.019 1.328 . . . . 0.0 112.101 173.514 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 15.3 ttm-85 -75.17 -33.9 61.52 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.802 1.641 . . . . 0.0 111.128 179.754 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 14.3 m -151.4 153.18 34.21 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 113.502 0.926 . . . . 0.0 113.502 178.822 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 2.4 m -130.13 137.96 55.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 C-N-CA 128.558 2.743 . . . . 0.0 106.85 169.869 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.45 ' CH2' ' HA ' ' A' ' 106' ' ' ALA . 73.9 t90 -141.79 147.92 38.07 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 124.933 1.293 . . . . 0.0 110.798 -175.559 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 24.3 m -143.26 154.49 16.73 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 C-N-CA 125.607 1.563 . . . . 0.0 109.271 174.414 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.45 ' HA ' ' CH2' ' A' ' 104' ' ' TRP . . . . . . . . 0 CA--C 1.538 0.491 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -170.308 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . 0.262 1.8 p90 . . . . . 0 CA--C 1.548 0.876 0 CA-C-O 121.727 0.775 . . . . 0.0 111.742 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -157.0 172.02 19.43 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 127.796 2.439 . . . . 0.0 112.575 -167.991 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -145.46 168.43 20.57 Favored 'General case' 0 N--CA 1.484 1.244 0 O-C-N 121.34 -0.85 . . . . 0.0 112.651 172.919 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.476 HG21 ' CD2' ' A' ' 94' ' ' PHE . 1.4 t -153.12 162.26 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 126.112 1.765 . . . . 0.0 111.824 -174.898 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -137.58 107.65 6.37 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.257 1.023 . . . . 0.0 109.666 165.98 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.419 ' HA ' ' HA ' ' A' ' 100' ' ' LEU . 44.8 m-85 -78.05 152.68 32.85 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.74 1.616 . . . . 0.0 111.452 169.563 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -73.98 -57.03 4.24 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.297 -0.877 . . . . 0.0 111.757 176.648 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -82.52 124.29 77.9 Favored Pre-proline 0 CA--C 1.545 0.78 0 O-C-N 121.462 -0.774 . . . . 0.0 109.431 173.445 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -61.33 -20.07 66.71 Favored 'Trans proline' 0 CA--C 1.539 0.73 0 C-N-CA 121.82 1.68 . . . . 0.0 112.976 172.932 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.54 -27.25 62.11 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 120.979 -1.076 . . . . 0.0 112.709 169.921 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -67.91 -43.79 78.44 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 120.009 1.277 . . . . 0.0 110.296 169.726 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.08 -40.29 93.14 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 122.957 0.503 . . . . 0.0 112.244 172.002 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.28 -48.76 76.77 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 118.735 0.698 . . . . 0.0 112.196 174.757 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -60.2 -39.6 87.12 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.433 1.015 . . . . 0.0 112.499 174.387 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.25 -59.22 5.65 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 123.848 0.859 . . . . 0.0 109.779 175.672 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 45.0 t -49.09 -45.43 16.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 CA-C-N 119.752 1.16 . . . . 0.0 112.287 173.768 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -63.39 -36.94 85.38 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 126.142 1.777 . . . . 0.0 112.772 -176.014 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -106.34 -19.43 13.7 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 -176.961 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 94.9 mt -97.38 -33.24 11.49 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.082 1.353 . . . . 0.0 113.931 -177.666 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -64.91 113.38 3.81 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 120.261 1.391 . . . . 0.0 112.599 -169.824 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 70.65 14.9 72.94 Favored Glycine 0 CA--C 1.54 1.622 0 N-CA-C 115.14 0.816 . . . . 0.0 115.14 -173.449 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.01 97.46 6.96 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 126.107 1.763 . . . . 0.0 110.005 178.953 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 19.0 m -9.47 110.01 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 130.463 3.505 . . . . 0.0 114.99 171.954 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.85 138.59 25.75 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 127.786 2.434 . . . . 0.0 105.836 -179.479 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 68.5 m 64.68 -41.0 0.27 Allowed 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 126.478 1.911 . . . . 0.0 111.55 -166.23 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 113.63 47.79 0.61 Allowed Glycine 0 CA--C 1.528 0.894 0 N-CA-C 119.126 2.41 . . . . 0.0 119.126 165.763 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 4.7 t -151.83 -39.27 0.11 Allowed 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 118.634 1.217 . . . . 0.0 112.994 169.073 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.96 156.9 1.82 Allowed 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 128.029 2.532 . . . . 0.0 110.618 169.12 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 32.9 m -141.73 162.47 20.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 169.851 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 141' ' ' ARG . . . . . 0.431 HH11 ' HG2' ' A' ' 141' ' ' ARG . 0.0 OUTLIER -133.3 141.1 47.81 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 129.174 2.989 . . . . 0.0 106.747 169.042 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 60.2 t -149.4 124.65 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 CA-C-N 119.846 1.203 . . . . 0.0 108.653 169.551 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -140.84 167.53 21.96 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 120.356 1.434 . . . . 0.0 111.101 178.938 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 71.1 mt -74.6 147.73 41.4 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 120.067 -1.645 . . . . 0.0 108.367 168.331 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 87.9 p . . . . . 0 N--CA 1.473 0.694 0 CA-C-N 119.321 0.964 . . . . 0.0 111.796 -178.892 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 . . . . . 0 N--CA 1.47 0.527 0 CA-C-O 121.198 0.523 . . . . 0.0 111.468 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.423 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 86.9 m-85 -125.82 154.27 42.86 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 126.644 1.978 . . . . 0.0 108.762 -175.701 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -105.05 161.46 14.2 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.512 1.125 . . . . 0.0 111.375 -179.587 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.643 HD22 ' HB3' ' A' ' 30' ' ' PHE . 13.3 tp -142.98 139.47 30.64 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 126.145 1.778 . . . . 0.0 110.31 172.995 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mp -116.04 111.31 34.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 126.128 1.771 . . . . 0.0 108.444 171.756 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.482 HD21 HD21 ' A' ' 5' ' ' LEU . 71.3 mt -80.92 72.12 7.91 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.893 1.677 . . . . 0.0 110.597 169.707 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 57.3 m-20 . . . . . 0 CA--C 1.561 1.393 0 C-N-CA 125.956 1.702 . . . . 0.0 114.348 169.571 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.321 0 N-CA-C 117.261 2.319 . . . . 0.0 117.261 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -175.3 -153.91 10.72 Favored Glycine 0 CA--C 1.529 0.948 0 N-CA-C 116.691 1.436 . . . . 0.0 116.691 169.966 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -152.51 159.36 43.32 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 119.12 1.46 . . . . 0.0 113.776 -173.15 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.7 t -158.85 -175.84 5.52 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.555 1.942 . . . . 0.0 110.675 -177.148 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.7 p -141.49 171.96 13.34 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.564 1.546 . . . . 0.0 110.987 173.748 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.63 HG21 HG11 ' A' ' 29' ' ' VAL . 4.4 t -156.68 155.02 31.02 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.592 1.157 . . . . 0.0 110.921 179.496 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -85.29 125.63 33.07 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 107.745 -1.205 . . . . 0.0 107.745 167.658 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.408 ' HB3' ' CD1' ' A' ' 3' ' ' TYR . . . -143.09 173.34 11.66 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.921 1.688 . . . . 0.0 112.735 179.429 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.3 p -87.25 -31.06 5.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 O-C-N 121.24 -0.912 . . . . 0.0 112.94 170.896 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.423 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 2.5 t70 168.12 -157.68 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.074 1 C-N-CA 132.488 4.315 . . . . 0.0 107.102 173.71 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.63 -22.66 2.13 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 120.593 1.542 . . . . 0.0 114.415 171.755 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.95 -8.43 22.54 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.181 0.992 . . . . 0.0 113.612 173.347 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.4 m -134.71 -36.17 0.86 Allowed 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 125.692 1.597 . . . . 0.0 112.436 173.411 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.452 ' HA ' HG12 ' A' ' 29' ' ' VAL . . . -64.67 -35.14 80.08 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.301 1.041 . . . . 0.0 110.692 176.993 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -78.14 5.49 10.02 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 176.608 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.68 20.23 3.31 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 120.335 -1.478 . . . . 0.0 111.755 174.795 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.63 HG11 HG21 ' A' ' 18' ' ' THR . 4.0 p -123.98 -42.23 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 C-N-CA 124.37 1.068 . . . . 0.0 111.905 177.126 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.643 ' HB3' HD22 ' A' ' 5' ' ' LEU . 24.6 m-85 -68.64 -25.15 64.69 Favored 'General case' 0 C--O 1.226 -0.166 0 C-N-CA 123.565 0.746 . . . . 0.0 112.875 173.421 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.403 ' HD3' ' CZ2' ' A' ' 43' ' ' TRP . 34.1 mmtp -54.82 -30.58 57.69 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.264 1.426 . . . . 0.0 112.997 175.132 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -81.7 -50.64 9.06 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.94 0.896 . . . . 0.0 110.67 179.408 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -60.1 -41.88 93.48 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.273 1.029 . . . . 0.0 112.101 177.327 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.21 -53.06 62.59 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.7 0.8 . . . . 0.0 111.015 178.861 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 -65.79 -23.25 66.66 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.012 0.925 . . . . 0.0 113.195 178.4 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -80.05 -29.99 39.32 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 118.9 0.773 . . . . 0.0 112.955 176.09 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 54.7 m-80 -76.59 -44.62 33.67 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 168.026 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 126.04 14.59 3.01 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 128.258 2.837 . . . . 0.0 115.5 171.864 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.447 HG21 ' HB3' ' A' ' 7' ' ' LEU . 93.7 t -87.95 151.34 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 125.595 1.558 . . . . 0.0 111.479 170.159 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -166.48 46.43 0.07 Allowed 'General case' 0 CA--C 1.548 0.897 0 CA-C-O 122.272 1.034 . . . . 0.0 111.121 168.109 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -72.14 -157.57 3.38 Favored Glycine 0 CA--C 1.54 1.644 0 C-N-CA 125.371 1.462 . . . . 0.0 115.835 -176.327 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.427 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 3.5 pt-20 -62.0 125.09 22.66 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 121.137 -1.214 . . . . 0.0 108.865 170.844 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.403 ' CZ2' ' HD3' ' A' ' 31' ' ' LYS . 89.0 m95 -91.55 133.0 35.9 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.473 1.033 . . . . 0.0 110.374 178.186 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -139.12 160.91 38.68 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 127.462 2.305 . . . . 0.0 109.532 -173.325 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -155.01 166.31 33.98 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.216 1.406 . . . . 0.0 110.69 -173.577 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -140.54 139.02 34.95 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.977 1.311 . . . . 0.0 110.445 175.451 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.496 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 31.6 t70 -93.54 -8.55 41.03 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 114.906 1.447 . . . . 0.0 114.906 -175.459 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -102.68 -28.72 11.95 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.172 1.389 . . . . 0.0 112.001 -178.548 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.6 t -117.03 -0.24 12.21 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.103 0.961 . . . . 0.0 113.129 175.65 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.496 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 3.6 mmpt? 51.08 42.47 28.64 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.565 1.546 . . . . 0.0 113.01 169.564 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 51.6 m -123.14 112.03 17.23 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 125.553 1.541 . . . . 0.0 109.259 -171.475 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -67.1 158.71 30.45 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 124.177 0.991 . . . . 0.0 110.487 169.492 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 22.9 m -149.52 130.24 14.12 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 171.742 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.427 ' HA ' ' O ' ' A' ' 42' ' ' GLU . 13.1 p -122.12 110.93 28.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 124.57 1.148 . . . . 0.0 109.984 177.402 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 99.1 m . . . . . 0 N--CA 1.471 0.607 0 C-N-CA 123.76 0.824 . . . . 0.0 109.7 -169.94 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 23.4 tttp . . . . . 0 N--CA 1.473 0.698 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 39.2 t -116.28 137.83 48.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 CA-C-O 121.946 0.879 . . . . 0.0 112.603 -167.482 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -95.88 150.43 20.44 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 127.447 2.299 . . . . 0.0 110.344 169.695 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.463 HG13 ' HB3' ' A' ' 113' ' ' ALA . 0.2 OUTLIER -147.96 140.35 18.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.346 0.593 . . . . 0.0 110.857 169.474 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.119 0 N-CA-C 116.655 1.422 . . . . 0.0 116.655 -179.172 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.222 -0.38 0 N-CA-C 116.436 2.013 . . . . 0.0 116.436 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 60.0 m -51.32 -56.29 13.87 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 115.725 1.75 . . . . 0.0 115.725 -168.962 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -74.44 -44.36 52.12 Favored 'General case' 0 C--N 1.344 0.327 0 CA-C-N 119.832 1.196 . . . . 0.0 110.924 -178.628 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . 0.255 3.5 pp -59.87 -36.19 76.39 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 119.72 1.145 . . . . 0.0 112.073 179.206 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -60.0 -49.84 76.07 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 124.308 1.043 . . . . 0.0 112.589 172.746 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.2 ppt_? -63.83 -35.69 81.44 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 119.732 1.151 . . . . 0.0 112.216 173.506 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.93 -41.15 71.56 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 123.616 0.767 . . . . 0.0 111.997 -175.056 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.686 ' CD1' HD23 ' A' ' 130' ' ' LEU . 15.7 m-85 -67.86 -61.61 1.79 Allowed 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 123.812 0.845 . . . . 0.0 110.141 172.194 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.39 -18.11 42.14 Favored Glycine 0 CA--C 1.546 2.006 0 N-CA-C 115.695 1.038 . . . . 0.0 115.695 -176.934 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -55.2 -48.12 74.31 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 126.028 1.731 . . . . 0.0 112.165 167.882 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.421 ' HE2' HD22 ' A' ' 130' ' ' LEU . 93.3 m-85 -67.18 -43.38 82.31 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.71 0.804 . . . . 0.0 110.453 174.02 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 177.29 164.36 30.79 Favored Glycine 0 N--CA 1.476 1.331 0 CA-C-O 119.028 -0.873 . . . . 0.0 114.571 169.495 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -57.66 129.39 33.4 Favored 'Trans proline' 0 N--CA 1.46 -0.492 0 C-N-CA 122.667 2.245 . . . . 0.0 115.121 -168.312 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.655 HD11 ' HB2' ' A' ' 94' ' ' PHE . 19.2 mt -73.58 157.69 36.21 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 113.006 -1.906 . . . . 0.0 111.728 170.08 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -118.18 -30.62 5.24 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.015 1.326 . . . . 0.0 111.537 172.406 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 7.5 m -141.17 142.37 34.03 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.438 1.095 . . . . 0.0 110.693 171.557 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.57 ' CG2' HD13 ' A' ' 100' ' ' LEU . 15.4 t -140.94 124.5 16.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 124.86 1.264 . . . . 0.0 108.374 176.618 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 83.7 t90 -141.67 148.47 39.19 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 125.087 1.355 . . . . 0.0 111.419 -171.071 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 4.8 m -140.41 149.83 21.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 124.672 1.189 . . . . 0.0 109.145 171.024 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.51 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 -169.757 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.536 0.435 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.463 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -161.11 171.67 18.13 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.875 1.27 . . . . 0.0 113.23 -168.187 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -145.28 149.0 34.07 Favored 'General case' 0 N--CA 1.48 1.029 0 O-C-N 121.946 -0.471 . . . . 0.0 111.634 171.852 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.5 HG11 ' CE2' ' A' ' 94' ' ' PHE . 14.6 m -138.65 170.3 16.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 CA-C-O 122.281 1.038 . . . . 0.0 112.555 178.057 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -149.37 117.59 6.41 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 124.856 1.262 . . . . 0.0 108.781 176.57 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.405 ' HA ' ' HA ' ' A' ' 100' ' ' LEU . 58.6 m-85 -80.66 156.17 26.46 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 121.711 0.767 . . . . 0.0 112.142 177.301 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -70.48 -18.31 62.97 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.45 0.7 . . . . 0.0 112.517 177.248 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -139.3 136.68 18.16 Favored Pre-proline 0 CA--C 1.553 1.06 0 C-N-CA 127.894 2.477 . . . . 0.0 110.339 178.782 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -71.81 -20.9 25.55 Favored 'Trans proline' 0 CA--C 1.537 0.641 0 C-N-CA 123.001 2.467 . . . . 0.0 114.448 -174.087 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.43 -29.6 53.01 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 120.917 -1.114 . . . . 0.0 111.218 174.282 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -62.53 -45.18 94.17 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 119.271 0.942 . . . . 0.0 109.908 168.904 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.66 -41.52 95.16 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 118.695 -0.669 . . . . 0.0 112.728 173.214 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.78 -43.25 84.46 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 119.813 1.188 . . . . 0.0 113.29 178.075 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -58.13 -41.43 83.64 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 121.359 -0.838 . . . . 0.0 110.922 173.094 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.82 -46.23 79.35 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.667 -0.645 . . . . 0.0 111.422 173.385 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.94 -15.66 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 O-C-N 120.526 -1.359 . . . . 0.0 114.191 -177.079 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -121.4 -5.15 9.35 Favored 'General case' 0 N--CA 1.485 1.302 0 N-CA-C 118.121 2.637 . . . . 0.0 118.121 170.594 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -114.54 -20.52 10.71 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-N 120.746 1.612 . . . . 0.0 114.484 170.718 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.686 HD23 ' CD1' ' A' ' 94' ' ' PHE . 7.5 tp -98.67 -21.21 16.55 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.629 1.572 . . . . 0.0 112.335 179.572 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -68.17 144.27 55.04 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.441 1.497 . . . . 0.0 112.498 169.94 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 72.91 -40.26 0.82 Allowed Glycine 0 CA--C 1.537 1.442 0 C-N-CA 126.538 2.018 . . . . 0.0 117.672 170.382 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -51.58 -51.19 57.47 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 125.77 1.628 . . . . 0.0 115.23 -168.753 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 6.9 m 140.91 143.67 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.281 1 C-N-CA 132.36 4.264 . . . . 0.0 107.35 -174.306 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 43.0 tp -161.8 133.62 5.56 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 -179.417 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 49.4 t 61.39 -48.47 0.13 Allowed 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.932 2.093 . . . . 0.0 112.131 -168.163 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 173.2 20.03 0.02 OUTLIER Glycine 0 C--N 1.345 1.047 0 N-CA-C 118.69 2.236 . . . . 0.0 118.69 168.426 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 46.0 t -154.78 175.98 13.04 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 118.703 1.251 . . . . 0.0 108.499 -172.623 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -65.17 130.17 42.38 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 178.001 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 11.2 p -116.68 144.69 23.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 C-N-CA 125.069 1.347 . . . . 0.0 110.045 -169.639 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 17.4 mtp85 -109.75 136.99 48.2 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 106.548 -1.649 . . . . 0.0 106.548 168.964 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 71.2 t -143.63 118.49 4.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 170.842 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -142.86 158.97 43.1 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 119.799 1.181 . . . . 0.0 111.95 -172.381 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 41.3 mt -80.73 153.08 28.03 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 120.656 -1.278 . . . . 0.0 109.588 169.556 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 32.3 t . . . . . 0 N--CA 1.479 0.992 0 C-N-CA 126.934 2.093 . . . . 0.0 115.27 172.823 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 . . . . . 0 CA--C 1.545 0.773 0 CA-C-O 120.975 0.417 . . . . 0.0 111.66 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.436 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 91.6 m-85 -127.14 154.78 44.33 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 127.595 2.358 . . . . 0.0 108.909 -178.446 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -110.3 162.73 14.34 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.646 1.178 . . . . 0.0 111.76 -177.659 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.59 HD21 HD21 ' A' ' 7' ' ' LEU . 13.5 tp -145.33 139.41 27.02 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 126.805 2.042 . . . . 0.0 110.915 174.337 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mp -118.49 109.01 25.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 126.496 1.918 . . . . 0.0 109.152 173.975 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.59 HD21 HD21 ' A' ' 5' ' ' LEU . 55.4 mt -81.32 72.05 8.34 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.48 1.912 . . . . 0.0 111.017 170.58 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 . . . . . 0 CA--C 1.56 1.358 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 173.215 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.467 0.394 0 N-CA-C 116.112 1.893 . . . . 0.0 116.112 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -165.98 -165.01 22.62 Favored Glycine 0 C--O 1.226 -0.383 0 N-CA-C 117.211 1.644 . . . . 0.0 117.211 171.318 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -152.73 157.08 40.34 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.741 1.216 . . . . 0.0 112.371 -179.4 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.0 t -156.83 -176.03 5.75 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 126.333 1.853 . . . . 0.0 109.805 -177.213 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 56.6 p -143.72 171.37 14.29 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.793 1.637 . . . . 0.0 110.856 176.599 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.2 t -155.59 154.66 32.03 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.104 0.961 . . . . 0.0 111.028 171.348 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -82.91 116.56 22.26 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 168.843 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -138.43 177.8 7.62 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.687 1.595 . . . . 0.0 112.599 -178.569 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.5 p -83.28 -39.43 15.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 O-C-N 120.977 -1.077 . . . . 0.0 111.683 169.408 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.436 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 3.9 t70 173.01 -160.39 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 131.486 3.914 . . . . 0.0 106.815 -179.326 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.56 -20.56 1.99 Allowed 'General case' 0 CA--C 1.545 0.786 0 O-C-N 120.113 -1.617 . . . . 0.0 114.422 170.64 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.93 -5.68 18.18 Favored 'General case' 0 CA--C 1.546 0.825 0 O-C-N 120.848 -1.158 . . . . 0.0 113.523 173.031 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.1 m -137.22 -37.27 0.64 Allowed 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.988 1.715 . . . . 0.0 112.348 173.681 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.96 -38.17 85.61 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.92 1.288 . . . . 0.0 111.173 177.184 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -75.62 4.83 6.94 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 178.637 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.84 18.56 4.64 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 125.182 1.393 . . . . 0.0 111.482 172.227 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.2 t -119.07 -52.96 3.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 125.292 1.437 . . . . 0.0 110.099 178.057 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.546 ' HB3' HD22 ' A' ' 5' ' ' LEU . 23.3 m-85 -61.98 -26.6 68.31 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 176.947 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -54.46 -29.74 50.72 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.732 1.213 . . . . 0.0 113.178 175.088 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -81.32 -55.75 4.51 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.386 0.674 . . . . 0.0 109.613 177.325 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -58.99 -42.25 89.59 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.213 1.005 . . . . 0.0 112.458 -177.173 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.05 -51.77 67.93 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.01 0.924 . . . . 0.0 111.807 176.826 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 62.8 m-80 -72.11 -16.66 62.01 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 177.322 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -77.54 -31.57 53.37 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 119.494 1.043 . . . . 0.0 112.108 171.556 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -78.13 -40.55 37.76 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 168.331 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 118.8 6.74 11.08 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 128.868 3.128 . . . . 0.0 114.742 171.111 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.9 t -79.19 144.85 10.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 124.216 1.006 . . . . 0.0 110.943 173.369 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -164.86 63.81 0.13 Allowed 'General case' 0 CA--C 1.55 0.969 0 CA-C-O 122.577 1.179 . . . . 0.0 112.377 168.89 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.423 ' H ' HG22 ' A' ' 54' ' ' VAL . . . -91.99 -137.74 7.87 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 125.613 1.578 . . . . 0.0 115.805 176.019 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -68.54 86.96 0.31 Allowed 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.259 1.424 . . . . 0.0 112.984 -174.662 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 73.9 m95 -62.79 109.16 1.34 Allowed 'General case' 0 N--CA 1.467 0.413 0 O-C-N 120.384 -1.447 . . . . 0.0 109.785 179.445 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 75.3 m -134.07 162.03 33.22 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 126.86 2.064 . . . . 0.0 109.103 -169.383 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -154.9 165.13 37.66 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.638 1.575 . . . . 0.0 110.613 -173.575 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -142.54 156.0 45.07 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 126.338 1.855 . . . . 0.0 110.345 -174.298 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.434 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -126.24 1.93 7.1 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 114.884 1.438 . . . . 0.0 114.884 -177.379 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -89.36 -30.06 18.66 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.428 1.091 . . . . 0.0 110.309 169.332 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.04 -7.75 3.89 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 -175.586 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.434 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 1.2 mmpt? 60.68 46.71 8.89 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.328 1.851 . . . . 0.0 112.679 179.037 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 63.6 m -120.46 112.87 19.51 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.184 0.994 . . . . 0.0 111.695 -171.843 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -66.4 159.15 27.57 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.917 0.887 . . . . 0.0 111.524 169.27 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 52.8 m -146.72 153.67 40.52 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.532 1.533 . . . . 0.0 108.353 169.794 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.423 HG22 ' H ' ' A' ' 41' ' ' GLY 0.263 8.1 p -148.0 64.35 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 CA-C-O 123.204 1.478 . . . . 0.0 111.709 -177.228 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.3 m . . . . . 0 N--CA 1.474 0.761 0 C-N-CA 125.54 1.536 . . . . 0.0 112.928 -177.027 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 116' ' ' GLU . 63.3 mttp . . . . . 0 N--CA 1.471 0.592 0 CA-C-O 121.644 0.735 . . . . 0.0 111.925 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 73.0 t -133.64 149.64 31.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 125.853 1.661 . . . . 0.0 110.072 -174.637 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -112.85 140.83 47.31 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 127.106 2.162 . . . . 0.0 109.255 177.231 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.487 HG13 ' HB3' ' A' ' 113' ' ' ALA . 6.1 p -144.23 142.28 24.1 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 C-N-CA 123.342 0.657 . . . . 0.0 112.442 177.46 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.172 0 N-CA-C 116.519 1.368 . . . . 0.0 116.519 177.837 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.4 ptmm? . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 115.268 1.581 . . . . 0.0 115.268 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 52.0 m -49.59 -52.92 26.86 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 115.673 1.731 . . . . 0.0 115.673 -168.125 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -66.05 -55.4 16.81 Favored 'General case' 0 C--N 1.339 0.12 0 CA-C-N 119.035 0.834 . . . . 0.0 110.934 -179.564 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.9 pp -61.89 -35.03 77.15 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -177.247 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -58.63 -43.28 89.66 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.505 1.122 . . . . 0.0 112.188 172.859 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.44 -41.88 72.29 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 118.803 0.728 . . . . 0.0 111.913 172.318 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.06 -44.33 82.93 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.226 1.01 . . . . 0.0 112.442 177.955 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.538 ' CD2' HG21 ' A' ' 115' ' ' VAL . 18.6 m-85 -70.75 -60.99 1.94 Allowed 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 125.953 1.701 . . . . 0.0 111.942 175.853 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -65.64 -12.48 56.61 Favored Glycine 0 CA--C 1.542 1.767 0 C-N-CA 120.213 -0.994 . . . . 0.0 115.085 -173.965 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -58.42 -49.19 78.17 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.208 1.803 . . . . 0.0 112.365 168.196 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -62.9 -42.08 99.66 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 118.448 0.567 . . . . 0.0 109.693 172.82 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 178.39 157.98 20.15 Favored Glycine 0 N--CA 1.475 1.242 0 CA-C-O 118.869 -0.962 . . . . 0.0 114.731 168.772 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -58.35 142.34 97.57 Favored 'Trans proline' 0 CA--C 1.536 0.618 0 C-N-CA 122.421 2.08 . . . . 0.0 113.733 -169.1 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.459 HD22 HG22 ' A' ' 103' ' ' VAL . 0.2 OUTLIER -127.17 150.75 49.37 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.092 1.357 . . . . 0.0 112.468 179.261 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 18.6 ttm180 -93.95 -38.47 11.17 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.666 1.586 . . . . 0.0 112.97 -169.662 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.0 m -136.55 140.58 43.03 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.933 0.893 . . . . 0.0 109.833 -175.897 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.459 HG22 HD22 ' A' ' 100' ' ' LEU . 19.0 t -145.52 129.69 11.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 124.702 1.201 . . . . 0.0 107.957 -178.925 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 83.0 t90 -142.84 150.19 39.57 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 124.331 1.052 . . . . 0.0 111.208 -169.947 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.464 HG12 ' HB1' ' A' ' 113' ' ' ALA . 14.0 m -140.39 151.82 21.24 Favored 'Isoleucine or valine' 0 C--O 1.238 0.47 0 C-N-CA 124.031 0.932 . . . . 0.0 109.181 169.65 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.634 0 C-N-CA 123.846 0.858 . . . . 0.0 113.173 178.966 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 69.6 t80 . . . . . 0 CA--C 1.546 0.804 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.487 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -164.57 170.71 15.44 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 126.364 1.866 . . . . 0.0 112.477 -168.555 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -144.0 163.34 33.78 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 -174.849 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.538 HG21 ' CD2' ' A' ' 94' ' ' PHE . 1.4 t -146.21 163.21 10.02 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 126.006 1.722 . . . . 0.0 111.853 -175.37 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.418 ' HA ' ' HA ' ' A' ' 75' ' ' LYS . 62.0 tt0 -142.07 99.27 3.49 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.799 2.04 . . . . 0.0 111.153 169.556 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -68.97 173.83 5.06 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.034 0.934 . . . . 0.0 112.836 170.497 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -119.08 0.63 11.31 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.251 1.02 . . . . 0.0 113.421 -179.429 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -148.34 125.48 5.58 Favored Pre-proline 0 CA--C 1.547 0.845 0 O-C-N 120.607 -1.308 . . . . 0.0 110.376 177.855 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -69.15 -24.31 32.62 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 123.131 2.554 . . . . 0.0 113.779 -173.716 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 22.8 ttp-105 -61.17 -51.42 69.12 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 119.765 1.166 . . . . 0.0 110.338 170.309 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -75.05 -35.87 61.85 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.318 -174.899 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.85 -37.55 87.79 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 122.964 0.506 . . . . 0.0 112.311 171.173 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -68.37 -45.7 72.07 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 119.297 0.953 . . . . 0.0 111.938 174.917 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.81 -42.97 80.48 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.232 0.613 . . . . 0.0 111.394 172.415 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.99 -57.91 9.88 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.112 0.565 . . . . 0.0 110.463 174.766 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 24.3 t -52.9 -35.11 21.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 125.428 1.491 . . . . 0.0 113.785 178.965 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.65 -1.92 36.8 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 114.676 1.361 . . . . 0.0 114.676 -174.684 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -116.46 -22.95 8.5 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.169 0.987 . . . . 0.0 113.034 169.543 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.408 HD13 ' CE1' ' A' ' 94' ' ' PHE . 86.3 mt -91.17 6.71 43.96 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 126.544 1.937 . . . . 0.0 111.787 169.142 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 22.0 p30 -42.59 -27.56 0.17 Allowed 'General case' 0 CA--C 1.553 1.066 0 N-CA-C 119.519 3.155 . . . . 0.0 119.519 -169.688 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 164.55 -27.1 0.2 Allowed Glycine 0 CA--C 1.533 1.183 0 C-N-CA 124.809 1.195 . . . . 0.0 115.933 -169.825 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 19.2 mtt180 -40.72 -70.11 0.11 Allowed 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 126.918 2.087 . . . . 0.0 115.127 -169.596 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 2.0 m 174.3 154.75 0.12 Allowed 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 131.334 3.854 . . . . 0.0 106.587 -177.768 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -138.2 -63.19 0.56 Allowed 'General case' 0 N--CA 1.478 0.954 0 CA-C-N 118.54 0.609 . . . . 0.0 111.025 172.194 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 2.7 t -82.67 -51.22 7.93 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 118.781 0.719 . . . . 0.0 109.852 169.254 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 170.31 33.32 0.02 OUTLIER Glycine 0 N--CA 1.476 1.337 0 CA-C-O 121.728 0.627 . . . . 0.0 113.87 177.434 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -161.9 157.76 24.36 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 128.8 2.84 . . . . 0.0 106.649 -168.235 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -69.29 130.59 43.03 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.202 0.601 . . . . 0.0 109.745 -169.356 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 7.5 p -109.21 56.77 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 126.424 1.89 . . . . 0.0 109.013 -169.979 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.95 113.08 2.12 Favored 'General case' 0 N--CA 1.479 0.983 0 O-C-N 120.786 -1.196 . . . . 0.0 109.504 -171.137 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 6.4 t -120.99 143.82 31.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 123.094 0.558 . . . . 0.0 111.106 -172.645 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -140.58 172.32 12.87 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.417 1.087 . . . . 0.0 110.916 171.008 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 6.2 tt -82.28 128.34 34.1 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 168.413 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.709 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -169.609 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 . . . . . 0 CA--C 1.543 0.7 0 N-CA-C 114.965 1.469 . . . . 0.0 114.965 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.408 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 92.8 m-85 -127.98 154.35 45.69 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 126.739 2.016 . . . . 0.0 109.107 -176.58 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -112.06 161.5 16.41 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.402 1.081 . . . . 0.0 111.776 -174.998 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.414 ' CD1' ' HG ' ' A' ' 7' ' ' LEU . 2.2 tm? -144.26 133.51 23.05 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 126.328 1.851 . . . . 0.0 110.579 176.34 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mp -114.66 112.82 41.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 125.918 1.687 . . . . 0.0 110.02 172.513 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.424 HD11 ' CE2' ' A' ' 33' ' ' TYR . 42.7 mt -83.09 43.44 0.87 Allowed 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 127.518 2.327 . . . . 0.0 111.912 173.57 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 . . . . . 0 N--CA 1.469 0.5 0 O-C-N 119.612 -1.93 . . . . 0.0 112.305 -175.91 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.464 0.275 0 CA-C-O 120.762 0.315 . . . . 0.0 110.363 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -172.6 -170.13 36.02 Favored Glycine 0 CA--C 1.529 0.949 0 N-CA-C 115.526 0.97 . . . . 0.0 115.526 168.621 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -155.32 157.96 37.99 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.637 1.175 . . . . 0.0 112.959 -179.615 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.9 t -156.25 -175.9 5.68 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 126.117 1.767 . . . . 0.0 110.404 179.194 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.6 p -141.66 175.05 10.0 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 125.211 1.405 . . . . 0.0 110.874 173.729 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.0 t -157.85 151.35 23.61 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 124.031 0.933 . . . . 0.0 110.772 171.906 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -77.03 125.9 30.08 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 106.546 -1.65 . . . . 0.0 106.546 166.392 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.428 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -143.67 174.52 10.72 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.364 1.466 . . . . 0.0 111.556 178.489 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.1 t -77.1 -47.14 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 O-C-N 121.666 -0.646 . . . . 0.0 109.994 169.158 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.408 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 4.4 t70 179.0 -157.12 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 130.429 3.492 . . . . 0.0 106.281 179.269 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.23 -20.81 2.87 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 120.049 -1.657 . . . . 0.0 113.963 169.661 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.61 -7.41 10.38 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.578 1.151 . . . . 0.0 113.826 172.156 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.428 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 45.3 m -138.68 -37.0 0.55 Allowed 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.538 1.535 . . . . 0.0 112.17 176.178 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.72 -38.12 86.05 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.939 1.296 . . . . 0.0 111.215 177.445 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -74.34 2.91 8.25 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 179.603 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.415 ' HE3' HG23 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -130.57 19.07 5.21 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 125.169 1.388 . . . . 0.0 111.57 173.454 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.415 HG23 ' HE3' ' A' ' 28' ' ' LYS . 3.1 t -119.54 -52.08 3.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 125.234 1.414 . . . . 0.0 109.924 177.998 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -62.75 -26.31 68.63 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 178.11 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -56.27 -32.89 64.95 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.571 1.148 . . . . 0.0 112.583 175.744 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -79.53 -49.77 11.74 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.312 0.645 . . . . 0.0 110.597 179.154 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.424 ' CE2' HD11 ' A' ' 7' ' ' LEU . 86.2 t80 -59.1 -41.82 89.02 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.538 1.135 . . . . 0.0 112.23 178.729 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.1 -46.23 90.0 Favored 'General case' 0 N--CA 1.451 -0.397 0 O-C-N 121.177 -0.952 . . . . 0.0 111.582 179.174 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -69.48 -17.41 63.61 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 114.167 1.173 . . . . 0.0 114.167 178.089 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . 0.285 1.2 p30 -91.21 -16.38 27.74 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 120.206 1.366 . . . . 0.0 114.419 171.673 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 63.6 m-80 -87.62 -32.73 19.13 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.273 0.629 . . . . 0.0 109.824 167.671 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.02 6.88 22.22 Favored Glycine 0 CA--C 1.531 1.067 0 C-N-CA 127.792 2.615 . . . . 0.0 114.928 171.219 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.2 t -84.82 152.6 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 123.857 0.863 . . . . 0.0 111.693 173.708 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -162.51 52.35 0.2 Allowed 'General case' 0 CA--C 1.549 0.93 0 CA-C-O 123.067 1.413 . . . . 0.0 111.969 168.889 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.44 -154.69 1.3 Allowed Glycine 0 CA--C 1.545 1.959 0 C-N-CA 127.188 2.327 . . . . 0.0 117.714 177.855 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -62.49 0.59 0.45 Allowed 'General case' 0 N--CA 1.486 1.349 1 N-CA-C 121.839 4.015 . . . . 0.0 121.839 -168.265 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 82.2 m95 28.4 74.51 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 129.225 3.01 . . . . 0.0 116.27 -174.735 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.46 165.48 11.63 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 125.657 1.583 . . . . 0.0 112.003 176.291 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -151.52 164.32 37.07 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 126.236 1.814 . . . . 0.0 110.737 178.688 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -139.72 168.76 19.08 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.916 1.286 . . . . 0.0 111.742 -178.239 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.423 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.4 OUTLIER -129.33 -6.16 4.8 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.768 1.627 . . . . 0.0 114.276 176.823 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.91 -32.75 51.86 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 121.467 -0.771 . . . . 0.0 110.624 170.481 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.4 t -139.01 8.78 2.53 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 177.943 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.423 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 2.8 mmpt? 53.78 42.05 31.89 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-O 122.657 1.218 . . . . 0.0 113.269 168.623 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 46.4 m -121.17 113.91 20.67 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 125.883 1.673 . . . . 0.0 109.419 -169.815 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -66.27 156.8 33.27 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.044 0.938 . . . . 0.0 110.518 169.299 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.3 m -149.18 133.47 17.42 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 108.201 -1.036 . . . . 0.0 108.201 171.11 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.2 p -130.42 66.07 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 123.12 1.438 . . . . 0.0 109.917 -171.466 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 31.0 m . . . . . 0 N--CA 1.466 0.335 0 CA-C-N 114.359 -1.292 . . . . 0.0 113.446 -173.44 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.476 0.867 0 CA-C-O 120.809 0.338 . . . . 0.0 111.156 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 42.8 t -130.08 134.34 62.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 125.396 1.478 . . . . 0.0 110.935 -172.089 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -90.65 147.46 23.28 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 124.682 1.193 . . . . 0.0 109.056 169.149 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.5 HG13 ' HB3' ' A' ' 113' ' ' ALA . 0.2 OUTLIER -150.12 152.65 11.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.879 0.847 . . . . 0.0 111.89 170.749 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.494 ' HA2' ' HA ' ' A' ' 112' ' ' PHE . . . . . . . . 0 CA--C 1.525 0.672 0 N-CA-C 108.333 -1.907 . . . . 0.0 108.333 167.464 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.9 ptmm? . . . . . 0 N--CA 1.47 0.531 0 N-CA-C 115.171 1.545 . . . . 0.0 115.171 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 14.6 m -47.6 -62.0 1.66 Allowed 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 120.403 1.456 . . . . 0.0 114.753 -169.478 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -76.26 -42.85 44.34 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 117.681 -1.152 . . . . 0.0 110.221 -176.555 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.427 HD12 ' N ' ' A' ' 91' ' ' GLU 0.259 2.7 pp -60.02 -36.1 76.52 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 120.731 1.605 . . . . 0.0 112.618 179.56 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.427 ' N ' HD12 ' A' ' 90' ' ' LEU . 22.1 tt0 -61.01 -48.72 80.51 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.611 1.164 . . . . 0.0 112.429 173.898 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.9 ppt_? -65.47 -39.33 91.84 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 119.497 1.044 . . . . 0.0 112.446 172.124 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.3 -43.12 92.12 Favored 'General case' 0 C--O 1.221 -0.427 0 C-N-CA 125.127 1.371 . . . . 0.0 111.042 -174.845 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.506 ' CD2' HG21 ' A' ' 115' ' ' VAL . 10.5 m-85 -63.68 -64.66 0.84 Allowed 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 124.431 1.092 . . . . 0.0 111.497 173.229 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -61.75 -17.72 54.94 Favored Glycine 0 CA--C 1.545 1.954 0 N-CA-C 115.112 0.805 . . . . 0.0 115.112 -174.593 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -56.4 -50.93 70.18 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.848 1.659 . . . . 0.0 112.902 168.806 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -68.24 -38.74 82.16 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.403 0.681 . . . . 0.0 111.128 177.361 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -174.1 156.18 23.04 Favored Glycine 0 N--CA 1.472 1.093 0 CA-C-O 118.182 -1.344 . . . . 0.0 113.307 169.513 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -61.87 149.79 88.7 Favored 'Trans proline' 0 CA--C 1.536 0.595 0 CA-C-N 121.187 2.494 . . . . 0.0 113.215 -169.647 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -132.24 158.9 40.59 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 177.293 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 20.9 ptt-85 -120.65 -8.88 9.45 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.582 1.553 . . . . 0.0 114.607 -169.681 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.7 t -148.11 139.41 23.48 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.072 0.949 . . . . 0.0 110.935 169.329 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 12.6 t -143.73 124.64 9.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 125.759 1.624 . . . . 0.0 108.517 174.389 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 78.0 t90 -137.72 152.34 49.14 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 125.542 1.537 . . . . 0.0 111.412 179.559 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 4.5 m -145.37 150.5 15.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 124.42 1.088 . . . . 0.0 110.981 176.054 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.496 0 C-N-CA 123.019 0.528 . . . . 0.0 110.459 178.128 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.494 ' HA ' ' HA2' ' A' ' 79' ' ' GLY 0.379 0.1 OUTLIER . . . . . 0 CA--C 1.547 0.841 0 CA-C-O 122.243 1.02 . . . . 0.0 113.041 . . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.5 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -158.95 170.84 21.21 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 126.346 1.858 . . . . 0.0 113.547 -168.162 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -147.14 157.7 43.69 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 177.576 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.506 HG21 ' CD2' ' A' ' 94' ' ' PHE . 2.3 t -149.28 157.45 6.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 125.038 1.335 . . . . 0.0 112.604 -174.408 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -133.08 112.43 11.78 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.551 1.14 . . . . 0.0 108.355 165.725 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -74.02 168.03 20.34 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.959 1.303 . . . . 0.0 113.806 173.46 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -71.34 -43.66 66.56 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 121.229 -0.92 . . . . 0.0 112.244 176.78 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -132.84 153.88 81.21 Favored Pre-proline 0 CA--C 1.555 1.153 0 C-N-CA 125.567 1.547 . . . . 0.0 112.468 179.693 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -57.62 -31.83 92.85 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 123.771 2.981 . . . . 0.0 115.024 178.539 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.84 -38.53 79.86 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 120.153 1.342 . . . . 0.0 111.984 173.969 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -57.01 -49.14 76.71 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 119.268 0.94 . . . . 0.0 110.272 173.729 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.47 -43.74 98.1 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-O 118.727 -0.654 . . . . 0.0 112.678 174.6 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.51 -44.5 86.79 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 119.915 1.234 . . . . 0.0 112.691 -178.493 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -64.47 -40.41 95.64 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 118.631 0.65 . . . . 0.0 110.987 174.826 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.49 -53.62 39.88 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 122.023 -0.423 . . . . 0.0 111.695 177.49 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 38.2 t -52.69 -42.54 41.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 125.51 1.524 . . . . 0.0 111.8 176.126 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 34.7 ttp-105 -69.41 -38.58 77.99 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.428 0.691 . . . . 0.0 112.445 179.746 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -97.58 -0.3 46.06 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 -176.245 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.466 ' HB3' HG21 ' A' ' 142' ' ' VAL . 90.4 mt -115.19 -17.15 11.45 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.29 1.836 . . . . 0.0 112.804 173.067 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 41.8 p30 6.43 -54.74 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.973 1 C-N-CA 132.441 4.297 . . . . 0.0 120.145 169.805 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 167.47 12.45 0.02 OUTLIER Glycine 0 CA--C 1.539 1.583 0 C-N-CA 128.349 2.88 . . . . 0.0 116.393 -179.071 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -69.81 -49.1 55.97 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.847 1.659 . . . . 0.0 115.168 -169.503 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 165.09 146.8 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 130.34 3.456 . . . . 0.0 108.747 175.999 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 10.9 tp -165.82 147.02 6.95 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 127.001 2.12 . . . . 0.0 106.484 177.452 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 64.3 m 63.35 -40.91 0.2 Allowed 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 127.72 2.408 . . . . 0.0 112.098 -166.998 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 144.22 28.14 0.11 Allowed Glycine 0 CA--C 1.528 0.904 0 C-N-CA 126.772 2.13 . . . . 0.0 115.048 168.373 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 12.0 t -148.69 -152.31 0.43 Allowed 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.019 1.327 . . . . 0.0 107.6 -174.718 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -70.72 142.21 51.49 Favored 'General case' 0 N--CA 1.463 0.217 0 O-C-N 121.351 -0.843 . . . . 0.0 110.854 171.084 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 9.5 p -130.32 169.86 20.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 105.558 -2.015 . . . . 0.0 105.558 168.074 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -161.51 133.56 5.75 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 126.172 1.789 . . . . 0.0 107.725 168.968 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.466 HG21 ' HB3' ' A' ' 130' ' ' LEU . 64.5 t -139.18 134.59 41.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 CA-C-N 119.293 0.951 . . . . 0.0 110.206 -174.473 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -139.85 161.62 37.14 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.714 0.806 . . . . 0.0 111.179 -176.324 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.76 134.58 38.03 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 168.872 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.471 0.621 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 -169.833 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . 0.266 15.9 tt0 . . . . . 0 CA--C 1.545 0.772 0 N-CA-C 114.835 1.42 . . . . 0.0 114.835 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.431 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 89.8 m-85 -128.55 150.1 50.33 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 127.058 2.143 . . . . 0.0 108.885 -176.703 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -105.71 162.35 13.6 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.743 1.217 . . . . 0.0 111.491 -179.455 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.55 HD11 ' CD2' ' A' ' 7' ' ' LEU . 1.5 tm? -144.92 137.91 26.53 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 127.044 2.138 . . . . 0.0 110.315 175.96 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.3 mp -117.28 113.63 43.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 126.42 1.888 . . . . 0.0 109.7 173.434 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.55 ' CD2' HD11 ' A' ' 5' ' ' LEU . 84.2 mt -85.18 66.8 9.92 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 126.508 1.923 . . . . 0.0 110.271 171.65 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.426 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 55.8 t30 . . . . . 0 N--CA 1.477 0.894 0 N-CA-C 114.352 1.242 . . . . 0.0 114.352 -177.035 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.471 0.62 0 N-CA-C 117.154 2.279 . . . . 0.0 117.154 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.86 -160.63 15.8 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 117.364 1.705 . . . . 0.0 117.364 169.585 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -147.29 165.54 29.81 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.344 1.458 . . . . 0.0 111.647 -175.628 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.0 t -160.19 -177.53 6.34 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.883 1.673 . . . . 0.0 110.238 169.15 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 74.8 p -141.47 170.09 16.37 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 126.022 1.729 . . . . 0.0 109.711 172.112 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.0 t -155.92 155.79 33.45 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 121.204 -0.935 . . . . 0.0 110.876 170.734 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -84.09 119.51 25.06 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 168.252 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.36 173.86 11.11 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.698 1.599 . . . . 0.0 112.077 -176.704 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 83.9 t -77.87 -46.63 26.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 O-C-N 121.631 -0.668 . . . . 0.0 110.5 169.275 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.431 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 5.3 t70 177.25 -156.88 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 131.064 3.746 . . . . 0.0 106.07 179.429 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.67 -20.37 2.03 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 120.014 -1.679 . . . . 0.0 114.163 169.841 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.17 -7.24 11.72 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.452 1.101 . . . . 0.0 113.735 172.002 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 54.3 m -140.34 -37.69 0.46 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.979 1.712 . . . . 0.0 112.101 177.035 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.01 -38.85 86.7 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.164 1.386 . . . . 0.0 111.046 177.622 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -74.48 3.31 7.78 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.437 ' HE3' HG23 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -131.27 19.13 4.87 Favored 'General case' 0 C--O 1.226 -0.176 0 C-N-CA 125.111 1.364 . . . . 0.0 111.492 172.924 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.437 HG23 ' HE3' ' A' ' 28' ' ' LYS . 3.5 t -119.21 -51.73 3.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 124.928 1.291 . . . . 0.0 110.117 176.79 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -60.38 -27.46 67.43 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.816 0.672 . . . . 0.0 112.816 177.084 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -56.87 -30.31 63.73 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.886 1.274 . . . . 0.0 112.78 174.119 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -77.78 -52.4 8.98 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 118.605 0.639 . . . . 0.0 110.71 176.808 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -61.8 -41.8 98.21 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.362 1.065 . . . . 0.0 112.383 -178.09 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.38 -50.58 73.14 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 123.353 0.661 . . . . 0.0 111.455 178.116 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 57.4 m-80 -71.82 -15.83 62.15 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 179.881 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -81.78 -31.34 31.9 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 118.99 0.814 . . . . 0.0 112.89 172.112 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 56.8 m-80 -76.97 -35.91 56.85 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 168.08 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 118.56 -3.73 15.3 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 129.297 3.332 . . . . 0.0 114.28 172.4 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 71.4 t -72.28 148.47 9.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 CA-C-N 118.603 1.202 . . . . 0.0 111.878 176.312 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -164.64 52.24 0.12 Allowed 'General case' 0 CA--C 1.547 0.856 0 CA-C-O 123.323 1.535 . . . . 0.0 109.866 167.953 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.38 -157.42 0.22 Allowed Glycine 0 CA--C 1.539 1.555 0 C-N-CA 127.067 2.27 . . . . 0.0 116.351 172.721 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -71.6 95.61 1.45 Allowed 'General case' 0 CA--C 1.546 0.789 0 O-C-N 121.344 -1.091 . . . . 0.0 112.178 177.843 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 84.8 m95 -60.6 118.88 7.1 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 120.717 -1.24 . . . . 0.0 110.07 -179.313 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -130.72 161.05 32.54 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 126.851 2.06 . . . . 0.0 110.243 -174.397 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -153.09 164.87 37.22 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.69 1.196 . . . . 0.0 111.101 -179.688 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -140.6 164.22 30.75 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.015 1.726 . . . . 0.0 110.463 -176.826 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.405 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 21.4 t70 -132.57 -2.02 3.43 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.095 1.358 . . . . 0.0 114.59 -179.311 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.83 -28.88 32.84 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 121.453 -0.779 . . . . 0.0 110.28 169.572 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.6 p -135.11 -12.88 2.15 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 125.667 1.587 . . . . 0.0 113.175 -171.951 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.405 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 1.0 OUTLIER 62.54 46.58 5.49 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.622 1.569 . . . . 0.0 112.407 178.018 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 95.4 m -118.25 113.64 21.8 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 125.041 1.337 . . . . 0.0 111.088 -174.059 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -67.64 159.31 30.22 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.994 0.918 . . . . 0.0 111.171 169.033 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 25.7 m -146.23 159.6 43.11 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 125.321 1.449 . . . . 0.0 107.814 170.645 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.501 ' CG1' HD23 ' A' ' 7' ' ' LEU 0.259 12.2 p -152.73 68.84 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-O 122.77 1.272 . . . . 0.0 110.943 -179.519 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.426 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 94.8 m . . . . . 0 N--CA 1.472 0.64 0 O-C-N 121.496 -0.752 . . . . 0.0 112.266 -172.146 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.465 0.304 0 CA-C-O 122.104 0.954 . . . . 0.0 112.258 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -134.94 154.57 36.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 C-N-CA 126.807 2.043 . . . . 0.0 109.089 -177.787 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -112.45 148.82 33.57 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 127.926 2.49 . . . . 0.0 109.829 -176.723 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.615 HG13 ' HB3' ' A' ' 113' ' ' ALA . 2.9 p -144.98 140.23 22.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-O 121.609 0.719 . . . . 0.0 111.321 169.152 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.231 0 N-CA-C 116.29 1.276 . . . . 0.0 116.29 175.458 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.277 20.3 pttp . . . . . 0 N--CA 1.48 1.068 0 N-CA-C 114.44 1.274 . . . . 0.0 114.44 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 54.5 m -40.2 -58.43 1.48 Allowed 'General case' 0 N--CA 1.483 1.225 0 N-CA-C 115.438 1.644 . . . . 0.0 115.438 -169.192 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.91 -56.54 12.67 Favored 'General case' 0 C--O 1.235 0.318 0 O-C-N 122.068 -0.395 . . . . 0.0 110.628 -178.242 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.404 HD12 ' N ' ' A' ' 91' ' ' GLU . 3.4 pp -65.42 -28.68 69.42 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -174.218 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.404 ' N ' HD12 ' A' ' 90' ' ' LEU . 38.2 tt0 -64.59 -47.94 76.8 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 126.346 1.858 . . . . 0.0 111.116 175.896 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.78 -31.95 71.33 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 119.398 0.999 . . . . 0.0 112.525 170.695 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.59 -45.45 94.06 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 118.827 0.74 . . . . 0.0 112.158 176.059 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.476 ' CZ ' HG11 ' A' ' 115' ' ' VAL . 11.2 m-85 -64.49 -64.81 0.78 Allowed 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 125.961 1.704 . . . . 0.0 110.984 173.617 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -54.08 -22.31 20.52 Favored Glycine 0 CA--C 1.546 2.006 0 N-CA-C 116.178 1.231 . . . . 0.0 116.178 -179.447 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -56.58 -50.72 71.1 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.583 1.553 . . . . 0.0 113.257 169.021 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.551 ' CE2' HD22 ' A' ' 130' ' ' LEU . 88.9 m-85 -63.91 -38.14 90.0 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 118.97 0.805 . . . . 0.0 109.997 175.511 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 176.05 165.45 31.89 Favored Glycine 0 N--CA 1.471 1.012 0 CA-C-O 118.863 -0.965 . . . . 0.0 113.982 168.871 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -61.04 126.06 18.61 Favored 'Trans proline' 0 N--CA 1.459 -0.516 0 CA-C-N 120.565 2.183 . . . . 0.0 114.483 -169.006 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 23.5 mt -63.17 161.12 14.1 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 126.532 1.933 . . . . 0.0 113.067 171.113 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.7 ttm180 -110.8 -35.96 5.83 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.541 1.536 . . . . 0.0 110.743 169.043 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.6 m -168.98 161.06 10.46 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 126.148 1.779 . . . . 0.0 111.216 171.191 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 60.4 t -142.06 141.89 28.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 125.35 1.46 . . . . 0.0 109.305 177.303 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 72.0 t90 -140.66 142.68 34.92 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.716 1.607 . . . . 0.0 110.372 179.112 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.514 HG12 ' HB1' ' A' ' 113' ' ' ALA . 0.9 OUTLIER -142.29 146.77 22.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 169.28 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.721 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 -178.63 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.551 0.993 0 N-CA-C 106.89 -1.522 . . . . 0.0 106.89 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.615 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -163.21 171.5 16.16 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 124.049 0.94 . . . . 0.0 112.887 -169.576 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -135.95 157.46 46.79 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.698 1.199 . . . . 0.0 112.647 176.942 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.476 HG11 ' CZ ' ' A' ' 94' ' ' PHE . 1.1 p -156.61 154.72 5.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 124.389 1.075 . . . . 0.0 111.763 -170.515 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -143.79 150.36 38.44 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 125.425 1.49 . . . . 0.0 110.082 168.11 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -121.0 160.72 22.95 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.977 1.311 . . . . 0.0 111.854 -172.807 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -81.21 -21.69 39.38 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 120.921 -1.112 . . . . 0.0 113.33 -175.83 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -125.91 125.05 24.82 Favored Pre-proline 0 CA--C 1.545 0.784 0 C-N-CA 126.285 1.834 . . . . 0.0 107.915 170.486 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -49.26 -28.88 15.83 Favored 'Trans proline' 0 CA--C 1.535 0.561 0 C-N-CA 123.705 2.936 . . . . 0.0 114.413 171.771 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.12 -26.08 62.86 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.169 0.987 . . . . 0.0 113.168 174.165 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -67.76 -45.8 73.88 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 119.796 1.18 . . . . 0.0 110.273 169.72 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.78 -34.88 78.18 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 118.462 -0.78 . . . . 0.0 112.002 172.941 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.54 -45.27 76.16 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 120.06 1.3 . . . . 0.0 112.914 174.307 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -54.21 -46.09 72.4 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.191 0.596 . . . . 0.0 110.445 170.532 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.411 ' HB1' HD23 ' A' ' 130' ' ' LEU . . . -64.87 -51.01 64.32 Favored 'General case' 0 CA--C 1.549 0.941 0 O-C-N 121.577 -0.702 . . . . 0.0 111.672 176.699 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 24.2 t -56.95 -18.15 6.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 O-C-N 119.748 -1.845 . . . . 0.0 114.222 178.186 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.72 -2.91 11.79 Favored 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 116.026 1.862 . . . . 0.0 116.026 173.009 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -132.56 -1.53 3.47 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.163 1.385 . . . . 0.0 114.543 -176.142 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.551 HD22 ' CE2' ' A' ' 97' ' ' TYR . 8.6 tp -126.31 -6.31 6.52 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 128.092 2.557 . . . . 0.0 111.409 -177.971 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -86.93 133.84 33.56 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 127.456 2.302 . . . . 0.0 112.937 179.024 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 53.44 37.66 56.22 Favored Glycine 0 CA--C 1.537 1.443 0 O-C-N 120.463 -1.398 . . . . 0.0 113.856 179.295 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 27.0 mmt-85 -111.66 -17.18 13.07 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 115.047 1.499 . . . . 0.0 115.047 -169.634 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 97.0 m 63.19 131.4 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 127.498 2.319 . . . . 0.0 110.713 -168.27 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 18.8 tp -150.23 -78.98 0.13 Allowed 'General case' 0 N--CA 1.472 0.625 0 O-C-N 121.316 -0.865 . . . . 0.0 111.627 -169.587 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 12.3 m -69.08 -21.41 64.07 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 123.756 0.823 . . . . 0.0 111.33 178.781 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 158.56 -21.54 0.33 Allowed Glycine 0 CA--C 1.536 1.402 0 C-N-CA 125.396 1.474 . . . . 0.0 116.237 169.864 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 11.9 t -106.33 -90.02 0.43 Allowed 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 118.639 1.219 . . . . 0.0 113.055 -169.757 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -141.94 -29.94 0.59 Allowed 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 116.931 2.197 . . . . 0.0 116.931 -170.361 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . 0.291 3.3 m 45.72 74.21 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 129.798 3.239 . . . . 0.0 115.996 -171.395 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -65.36 134.84 54.4 Favored 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 105.748 -1.945 . . . . 0.0 105.748 166.275 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 81.2 t -141.08 129.04 22.74 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 CA-C-N 119.754 1.161 . . . . 0.0 108.631 -176.289 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -144.39 171.7 13.97 Favored 'General case' 0 N--CA 1.483 1.193 0 CA-C-N 119.011 0.823 . . . . 0.0 111.38 -172.067 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 8.9 tt -73.22 135.86 44.6 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 119.828 -1.795 . . . . 0.0 108.656 168.253 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 24.5 t . . . . . 0 N--CA 1.472 0.653 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -172.954 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 . . . . . 0 CA--C 1.546 0.813 0 CA-C-O 120.746 0.308 . . . . 0.0 111.76 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -127.06 153.56 45.81 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 127.425 2.29 . . . . 0.0 108.951 -179.792 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -103.68 161.26 14.06 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.492 1.117 . . . . 0.0 111.177 178.343 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.482 HD11 ' CD2' ' A' ' 7' ' ' LEU . 0.8 OUTLIER -144.96 135.8 24.66 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 126.641 1.976 . . . . 0.0 110.118 175.052 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mp -114.49 109.77 29.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 126.309 1.843 . . . . 0.0 109.505 172.325 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.482 ' CD2' HD11 ' A' ' 5' ' ' LEU . 88.0 mt -78.77 79.22 5.19 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 124.473 1.109 . . . . 0.0 108.162 168.91 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 22.3 m-20 . . . . . 0 CA--C 1.56 1.353 0 C-N-CA 125.469 1.507 . . . . 0.0 111.952 168.607 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.965 0 N-CA-C 121.527 3.899 . . . . 0.0 121.527 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.83 -161.98 18.68 Favored Glycine 0 CA--C 1.531 1.078 0 N-CA-C 117.562 1.785 . . . . 0.0 117.562 169.763 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -156.46 157.02 34.77 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.632 1.573 . . . . 0.0 112.843 -179.626 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.9 t -159.98 -172.03 3.47 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 126.168 1.787 . . . . 0.0 109.521 178.047 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 64.3 p -138.55 169.42 17.81 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 126.086 1.755 . . . . 0.0 110.733 176.715 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.643 HG21 ' CG1' ' A' ' 29' ' ' VAL . 3.0 t -153.46 151.87 30.36 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.404 1.082 . . . . 0.0 110.593 177.483 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.9 tp10 -84.02 115.98 22.61 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 169.241 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.76 177.01 8.19 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.198 1.399 . . . . 0.0 113.653 179.823 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 97.7 t -79.33 -49.17 20.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 O-C-N 120.842 -1.161 . . . . 0.0 110.61 169.323 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 t70 178.49 -157.7 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 131.52 3.928 . . . . 0.0 105.821 179.729 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.98 -18.87 1.53 Allowed 'General case' 0 CA--C 1.546 0.824 0 CA-C-N 121.376 1.898 . . . . 0.0 114.667 170.859 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.27 -10.41 42.08 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.451 1.1 . . . . 0.0 113.488 172.999 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 46.4 m -140.06 -32.41 0.61 Allowed 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.269 1.827 . . . . 0.0 112.542 178.682 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.423 ' HA ' HG12 ' A' ' 29' ' ' VAL . . . -68.4 -36.13 78.67 Favored 'General case' 0 CA--C 1.546 0.799 0 O-C-N 120.838 -1.164 . . . . 0.0 110.632 174.868 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -76.41 5.17 7.59 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 114.656 1.354 . . . . 0.0 114.656 178.449 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.19 18.33 3.42 Favored 'General case' 0 N--CA 1.466 0.351 0 O-C-N 120.307 -1.495 . . . . 0.0 111.738 173.561 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.643 ' CG1' HG21 ' A' ' 18' ' ' THR . 3.1 p -120.47 -41.75 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 C-N-CA 124.377 1.071 . . . . 0.0 112.195 177.287 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.441 ' CZ ' HG22 ' A' ' 18' ' ' THR . 25.8 m-85 -68.78 -26.02 65.0 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 123.99 0.916 . . . . 0.0 113.11 173.296 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -54.97 -29.95 58.04 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.261 1.424 . . . . 0.0 112.959 175.123 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -80.25 -53.18 6.89 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 123.993 0.917 . . . . 0.0 110.283 177.033 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -57.0 -43.04 81.36 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.471 1.109 . . . . 0.0 112.327 178.878 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.79 -53.3 58.37 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 124.075 0.95 . . . . 0.0 111.541 175.751 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -69.86 -16.1 63.2 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.128 0.971 . . . . 0.0 113.504 177.261 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -78.19 -31.44 49.51 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 120.191 1.36 . . . . 0.0 112.299 170.831 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -77.95 -37.32 47.78 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 168.0 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 123.23 -11.35 8.62 Favored Glycine 0 CA--C 1.539 1.551 1 C-N-CA 130.727 4.013 . . . . 0.0 113.896 172.549 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.5 t -62.11 148.07 10.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 CA-C-N 118.834 1.317 . . . . 0.0 111.986 -177.389 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -163.96 61.04 0.16 Allowed 'General case' 0 CA--C 1.551 0.999 0 CA-C-O 122.517 1.151 . . . . 0.0 113.407 169.458 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -88.29 -150.98 21.9 Favored Glycine 0 CA--C 1.543 1.802 0 C-N-CA 126.342 1.925 . . . . 0.0 116.295 -176.742 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -71.94 94.7 1.48 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.848 1.659 . . . . 0.0 111.809 175.804 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -64.22 128.98 38.13 Favored 'General case' 0 N--CA 1.465 0.308 0 O-C-N 120.617 -1.302 . . . . 0.0 110.342 -179.384 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.69 162.63 32.21 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 126.529 1.932 . . . . 0.0 110.373 -170.931 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -154.39 167.86 28.57 Favored 'General case' 0 CA--C 1.543 0.712 0 C-N-CA 124.201 1.0 . . . . 0.0 111.834 -178.841 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -144.24 161.48 38.8 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.39 1.876 . . . . 0.0 110.523 -177.767 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.406 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.3 OUTLIER -129.68 -1.68 4.83 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 179.446 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.52 -28.43 33.98 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 121.521 -0.737 . . . . 0.0 110.664 170.273 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.6 p -135.23 -13.04 2.11 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.719 1.608 . . . . 0.0 113.203 -172.369 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.406 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 1.1 mmpt? 63.65 47.31 3.75 Favored 'General case' 0 C--N 1.347 0.489 0 C-N-CA 125.848 1.659 . . . . 0.0 112.425 178.544 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 89.6 m -117.09 110.86 18.73 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.81 1.244 . . . . 0.0 111.615 -173.931 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -64.62 160.62 19.32 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.043 0.937 . . . . 0.0 110.959 168.623 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 32.4 m -147.19 161.54 40.7 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 125.216 1.406 . . . . 0.0 107.963 170.498 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.426 ' CG1' HD23 ' A' ' 7' ' ' LEU . 12.6 p -151.06 93.58 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 C-N-CA 124.752 1.221 . . . . 0.0 110.629 172.309 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 50.0 m . . . . . 0 N--CA 1.471 0.597 0 O-C-N 121.625 -0.672 . . . . 0.0 110.884 -178.45 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.4 ttmm . . . . . 0 CA--C 1.537 0.443 0 CA-C-O 121.556 0.693 . . . . 0.0 109.482 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.463 HG22 HG22 ' A' ' 115' ' ' VAL . 2.0 m -118.23 150.95 20.32 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 C-N-CA 127.848 2.459 . . . . 0.0 108.204 176.212 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -98.15 151.75 20.07 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 124.993 1.317 . . . . 0.0 110.131 178.002 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -155.51 151.11 10.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 122.065 0.936 . . . . 0.0 112.049 175.609 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.892 0 N-CA-C 110.129 -1.189 . . . . 0.0 110.129 168.487 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.467 0.411 0 N-CA-C 115.508 1.669 . . . . 0.0 115.508 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 26.7 m -52.36 -56.46 14.76 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 114.992 1.479 . . . . 0.0 114.992 -169.182 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -75.86 -43.69 44.42 Favored 'General case' 0 C--N 1.345 0.375 0 CA-C-N 119.579 1.081 . . . . 0.0 110.541 -176.966 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.2 pp -60.78 -35.53 76.68 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 120.158 1.345 . . . . 0.0 112.334 178.769 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -60.28 -50.04 75.23 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 121.139 -0.976 . . . . 0.0 112.163 173.212 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.38 -34.69 78.91 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 119.555 1.07 . . . . 0.0 112.279 173.513 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.86 -43.32 83.89 Favored 'General case' 0 C--O 1.223 -0.311 0 C-N-CA 124.159 0.984 . . . . 0.0 111.427 -177.443 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.464 ' CD2' HG11 ' A' ' 115' ' ' VAL . 15.8 m-85 -67.75 -62.62 1.33 Allowed 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 124.562 1.145 . . . . 0.0 111.422 173.557 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.03 -17.91 45.98 Favored Glycine 0 CA--C 1.545 1.964 0 N-CA-C 115.817 1.087 . . . . 0.0 115.817 -178.543 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -54.82 -50.06 69.5 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 119.143 1.471 . . . . 0.0 112.182 168.446 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -65.59 -43.17 90.53 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.601 0.76 . . . . 0.0 110.281 175.027 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 179.01 159.13 22.71 Favored Glycine 0 N--CA 1.476 1.303 0 CA-C-O 118.483 -1.176 . . . . 0.0 114.787 169.205 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -51.31 128.04 24.18 Favored 'Trans proline' 0 C--O 1.235 0.363 0 C-N-CA 122.895 2.396 . . . . 0.0 116.06 -169.288 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.558 HD13 ' CG2' ' A' ' 103' ' ' VAL . 15.1 mt -68.43 152.81 44.88 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 113.676 -1.602 . . . . 0.0 111.492 169.808 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -98.04 -29.8 13.06 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.827 1.651 . . . . 0.0 111.525 169.909 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.6 m -169.97 163.33 9.43 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 126.075 1.75 . . . . 0.0 111.11 169.245 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.558 ' CG2' HD13 ' A' ' 100' ' ' LEU . 62.4 t -139.9 140.6 35.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 125.794 1.637 . . . . 0.0 109.442 179.204 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 86.3 t90 -145.62 140.25 27.21 Favored 'General case' 0 N--CA 1.461 0.116 0 C-N-CA 125.335 1.454 . . . . 0.0 111.31 179.831 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -144.32 150.49 16.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 168.203 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.663 0 O-C-N 121.907 -0.495 . . . . 0.0 111.528 175.415 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.553 1.071 0 N-CA-C 106.811 -1.551 . . . . 0.0 106.811 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -158.18 175.12 14.18 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 115.404 1.631 . . . . 0.0 115.404 -166.02 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -145.4 149.04 34.02 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.534 0.734 . . . . 0.0 111.403 170.794 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.464 HG11 ' CD2' ' A' ' 94' ' ' PHE . 28.4 m -138.68 172.25 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 O-C-N 120.802 -1.186 . . . . 0.0 112.235 172.294 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -148.14 153.0 38.25 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 124.162 0.985 . . . . 0.0 110.143 169.63 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -122.52 153.5 39.11 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.711 1.204 . . . . 0.0 112.244 -169.59 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -72.76 -17.25 61.61 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 178.631 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -146.14 126.77 7.17 Favored Pre-proline 0 CA--C 1.555 1.163 0 C-N-CA 124.477 1.111 . . . . 0.0 112.504 -173.947 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -53.41 -36.02 77.71 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 124.5 3.466 . . . . 0.0 115.41 174.864 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 23.3 ttp-105 -57.13 -48.15 79.36 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 119.235 0.925 . . . . 0.0 110.432 174.721 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -77.09 -34.84 56.84 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 119.099 -0.477 . . . . 0.0 111.275 -173.902 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.18 -45.35 93.41 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.57 0.748 . . . . 0.0 111.648 169.833 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.44 -46.09 74.13 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.708 0.803 . . . . 0.0 111.807 179.834 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -68.44 -33.2 73.78 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.654 0.661 . . . . 0.0 112.261 178.511 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.87 -57.14 13.93 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.303 0.641 . . . . 0.0 110.029 169.914 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 41.1 t -50.72 -42.83 23.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 124.396 1.078 . . . . 0.0 112.444 174.329 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 53.3 ttp85 -61.75 -31.98 72.19 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 126.115 1.766 . . . . 0.0 113.314 179.264 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -109.78 -10.56 14.78 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 124.694 1.198 . . . . 0.0 114.133 -176.215 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 53.0 mt -100.57 -34.08 10.05 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.447 1.499 . . . . 0.0 114.16 -176.863 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -67.79 142.73 56.11 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 -172.486 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 69.9 -24.73 0.41 Allowed Glycine 0 CA--C 1.538 1.497 0 N-CA-C 119.848 2.699 . . . . 0.0 119.848 169.099 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -71.88 -81.08 0.06 Allowed 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.53 1.532 . . . . 0.0 114.439 -169.323 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.8 m -179.72 141.99 0.16 Allowed 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 130.11 3.364 . . . . 0.0 107.591 -174.808 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -159.3 136.21 9.51 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 177.239 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 17.5 t 68.44 -44.59 0.51 Allowed 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 127.184 2.194 . . . . 0.0 110.731 -167.086 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 162.53 12.13 0.03 OUTLIER Glycine 0 CA--C 1.532 1.095 0 N-CA-C 117.498 1.759 . . . . 0.0 117.498 168.658 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 6.4 t -157.33 -168.37 2.58 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.377 1.588 . . . . 0.0 108.738 -176.687 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 3.9 ptt180 -30.79 118.35 0.18 Allowed 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 128.548 2.739 . . . . 0.0 113.957 175.615 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 9.1 p -129.29 148.36 33.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 C-N-CA 125.824 1.65 . . . . 0.0 110.138 171.951 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -149.26 140.31 22.97 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 126.373 1.869 . . . . 0.0 108.985 172.515 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 58.9 t -146.32 125.65 5.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -170.026 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -135.32 -179.16 5.46 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 119.307 0.958 . . . . 0.0 110.927 -173.695 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -97.84 137.04 37.3 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 120.874 -1.141 . . . . 0.0 108.288 169.825 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 84.7 p . . . . . 0 N--CA 1.471 0.604 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 -169.462 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 . . . . . 0 CA--C 1.548 0.882 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -127.21 154.98 44.15 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 127.503 2.321 . . . . 0.0 109.27 -179.015 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -105.85 162.75 13.28 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 124.857 1.263 . . . . 0.0 111.679 -179.753 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.531 HD22 ' N ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -149.21 131.59 15.64 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 126.511 1.925 . . . . 0.0 110.966 176.159 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.531 ' N ' HD22 ' A' ' 5' ' ' LEU . 1.5 mp -110.18 120.47 61.23 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.247 0 C-N-CA 126.257 1.823 . . . . 0.0 111.217 175.375 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.436 ' CD2' ' HA ' ' A' ' 34' ' ' ALA . 3.0 mp -97.67 60.92 1.58 Allowed 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 126.947 2.099 . . . . 0.0 111.588 -178.648 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 . . . . . 0 CA--C 1.551 1.018 0 O-C-N 121.084 -1.01 . . . . 0.0 113.153 174.873 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.464 0.246 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -168.76 -167.96 30.14 Favored Glycine 0 CA--C 1.532 1.134 0 N-CA-C 116.274 1.269 . . . . 0.0 116.274 169.626 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -159.54 153.76 23.66 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.966 1.706 . . . . 0.0 112.157 174.36 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.3 t -153.6 -172.18 4.14 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.138 1.375 . . . . 0.0 109.603 175.486 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.1 p -141.55 172.79 12.2 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.588 1.555 . . . . 0.0 110.501 176.154 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.64 HG21 ' CG1' ' A' ' 29' ' ' VAL . 4.5 t -158.03 148.67 20.68 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 121.222 -0.924 . . . . 0.0 111.106 178.658 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.2 tp10 -77.02 120.57 22.31 Favored 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 107.3 -1.37 . . . . 0.0 107.3 167.548 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.39 175.97 9.11 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.26 1.424 . . . . 0.0 113.087 175.671 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.7 t -78.94 -47.8 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 O-C-N 120.939 -1.101 . . . . 0.0 110.227 169.035 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 t70 178.53 -156.94 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 131.251 3.821 . . . . 0.0 105.86 178.984 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.77 -19.69 1.78 Allowed 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 121.158 1.799 . . . . 0.0 114.581 170.693 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.83 -9.84 32.48 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.42 1.088 . . . . 0.0 113.745 172.753 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 44.6 m -140.27 -32.41 0.6 Allowed 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.917 1.687 . . . . 0.0 112.582 178.127 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.435 ' HA ' HG12 ' A' ' 29' ' ' VAL . . . -67.51 -37.29 82.57 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 120.852 -1.155 . . . . 0.0 110.402 174.707 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -76.23 5.03 7.53 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 178.254 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.13 18.65 3.43 Favored 'General case' 0 N--CA 1.468 0.425 0 O-C-N 120.291 -1.506 . . . . 0.0 111.874 173.336 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.64 ' CG1' HG21 ' A' ' 18' ' ' THR . 3.1 p -121.27 -41.69 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 C-N-CA 124.423 1.089 . . . . 0.0 112.27 176.662 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.483 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.8 m-85 -68.24 -27.05 66.02 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 124.662 1.185 . . . . 0.0 112.991 173.281 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -54.7 -32.7 59.88 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.925 1.29 . . . . 0.0 112.985 175.764 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -81.03 -48.8 11.72 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.686 0.795 . . . . 0.0 110.829 179.651 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -63.4 -40.46 97.28 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.431 1.092 . . . . 0.0 111.982 179.408 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.436 ' HA ' ' CD2' ' A' ' 7' ' ' LEU . . . -63.3 -45.17 92.62 Favored 'General case' 0 N--CA 1.452 -0.353 0 O-C-N 121.237 -0.914 . . . . 0.0 112.32 178.16 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -67.07 -18.98 65.58 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.777 1.029 . . . . 0.0 113.777 173.312 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -80.42 -31.01 37.7 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.615 1.098 . . . . 0.0 112.943 173.202 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -75.44 -36.31 60.75 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 167.938 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 110.97 0.71 28.6 Favored Glycine 0 N--CA 1.436 -1.34 0 C-N-CA 128.72 3.057 . . . . 0.0 113.916 177.08 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.7 t -77.29 144.03 12.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-N 118.627 1.214 . . . . 0.0 110.605 177.307 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -160.1 50.8 0.31 Allowed 'General case' 0 CA--C 1.553 1.067 0 CA-C-O 122.545 1.164 . . . . 0.0 113.169 170.3 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.22 -145.52 4.64 Favored Glycine 0 CA--C 1.541 1.666 0 C-N-CA 126.493 1.997 . . . . 0.0 116.482 177.767 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -64.66 94.08 0.12 Allowed 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.926 1.69 . . . . 0.0 112.345 -177.507 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 79.4 m95 -64.81 108.25 1.69 Allowed 'General case' 0 N--CA 1.466 0.326 0 O-C-N 120.166 -1.584 . . . . 0.0 109.907 178.052 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -123.53 163.42 20.98 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 126.675 1.99 . . . . 0.0 110.716 -172.41 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -154.21 166.55 32.76 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.207 1.003 . . . . 0.0 112.069 -178.939 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -144.0 162.51 36.02 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.445 1.898 . . . . 0.0 110.592 -177.44 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -130.18 -2.36 4.51 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 179.319 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.54 -28.71 37.23 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 121.621 -0.674 . . . . 0.0 110.512 170.063 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.7 p -135.4 -12.76 2.08 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 125.678 1.591 . . . . 0.0 113.212 -172.173 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? 63.82 46.72 3.84 Favored 'General case' 0 C--N 1.347 0.469 0 C-N-CA 125.821 1.648 . . . . 0.0 112.518 178.03 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 92.7 m -117.55 111.7 19.58 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.863 1.265 . . . . 0.0 111.863 -172.77 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -65.52 162.04 18.9 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.198 0.999 . . . . 0.0 110.669 168.463 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 22.1 m -147.75 159.68 43.54 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.298 1.439 . . . . 0.0 108.118 169.84 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.273 9.5 p -149.13 56.55 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 125.325 1.45 . . . . 0.0 111.815 -178.23 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.4 m . . . . . 0 N--CA 1.475 0.807 0 C-N-CA 124.835 1.254 . . . . 0.0 112.62 -177.653 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 44.5 tptt . . . . . 0 N--CA 1.471 0.578 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -134.72 139.36 47.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 CA-C-O 123.017 1.389 . . . . 0.0 110.96 -172.682 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -83.87 152.18 24.7 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 127.732 2.413 . . . . 0.0 110.283 176.674 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.498 HG13 ' HB3' ' A' ' 113' ' ' ALA . 0.8 OUTLIER -152.9 149.24 13.58 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.181 0 N-CA-C 115.0 1.481 . . . . 0.0 115.0 176.624 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.337 0 C-N-CA 125.871 1.7 . . . . 0.0 110.537 168.049 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.342 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.367 0 N-CA-C 119.399 3.111 . . . . 0.0 119.399 . . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 4.4 m -58.78 -52.28 66.39 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.205 1.402 . . . . 0.0 111.521 172.723 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.06 -55.57 33.29 Favored 'General case' 0 C--N 1.34 0.185 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 178.378 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.7 mt -48.45 -59.81 3.18 Favored 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 124.706 1.202 . . . . 0.0 110.492 -178.466 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -59.61 -42.52 92.8 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 123.678 0.791 . . . . 0.0 112.099 -171.114 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.69 -35.41 65.17 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 118.56 -0.733 . . . . 0.0 112.712 174.058 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -67.54 -44.73 77.63 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 119.483 1.038 . . . . 0.0 111.629 -176.886 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.633 ' CE2' HG11 ' A' ' 115' ' ' VAL . 17.5 m-85 -69.12 -61.68 1.69 Allowed 'General case' 0 CA--C 1.509 -0.622 0 C-N-CA 125.886 1.674 . . . . 0.0 111.895 173.821 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -64.52 -13.1 54.42 Favored Glycine 0 CA--C 1.547 2.072 0 CA-C-O 118.964 -0.909 . . . . 0.0 114.445 -176.161 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -56.82 -49.88 74.06 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 119.175 1.487 . . . . 0.0 110.977 167.046 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -63.74 -46.91 83.2 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.706 0.802 . . . . 0.0 109.627 172.546 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 176.21 154.57 11.8 Favored Glycine 0 CA--C 1.534 1.261 0 N-CA-C 115.427 0.931 . . . . 0.0 115.427 169.201 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -48.43 124.53 10.83 Favored 'Trans proline' 0 CA--C 1.535 0.537 0 C-N-CA 124.371 3.381 . . . . 0.0 115.903 -169.646 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 33.6 mt -67.1 152.75 45.2 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.706 1.603 . . . . 0.0 112.474 169.932 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -79.41 -39.18 33.06 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 166.632 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.2 p -173.8 168.54 4.29 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 126.136 1.774 . . . . 0.0 113.078 168.989 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 2.7 p -128.04 145.18 35.63 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 126.019 1.728 . . . . 0.0 110.17 171.22 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 87.9 t90 -133.97 143.26 48.06 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 126.66 1.984 . . . . 0.0 110.232 -179.497 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 12.5 m -143.47 152.72 16.43 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 124.23 1.012 . . . . 0.0 109.491 174.96 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.882 0 CA-C-O 122.521 1.153 . . . . 0.0 114.049 -174.323 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.554 1.113 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.498 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -171.14 175.94 4.13 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 126.186 1.794 . . . . 0.0 111.902 -169.121 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -144.5 150.02 36.89 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.175 -0.953 . . . . 0.0 113.033 173.414 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.633 HG11 ' CE2' ' A' ' 94' ' ' PHE . 29.7 m -144.71 168.42 9.74 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 N-CA-C 115.156 1.539 . . . . 0.0 115.156 -178.975 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -146.96 130.61 16.9 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.233 1.413 . . . . 0.0 110.975 177.184 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.401 ' CZ ' ' HB3' ' A' ' 94' ' ' PHE . 83.8 m-85 -104.31 -20.85 13.63 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.05 1.34 . . . . 0.0 113.365 175.331 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 57.28 -13.51 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 128.103 2.561 . . . . 0.0 117.042 -169.757 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -100.42 132.28 22.7 Favored Pre-proline 0 CA--C 1.547 0.856 0 C-N-CA 125.732 1.613 . . . . 0.0 110.125 169.795 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -77.58 -24.64 8.76 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 122.342 2.028 . . . . 0.0 114.329 -173.145 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.61 -37.6 30.87 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 121.019 1.736 . . . . 0.0 111.156 175.883 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -55.36 -53.02 61.44 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 123.137 0.575 . . . . 0.0 109.554 172.018 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.92 -41.0 95.92 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 118.395 -0.812 . . . . 0.0 112.785 176.263 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -58.83 -45.63 89.55 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 120.614 1.552 . . . . 0.0 112.947 177.762 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -64.9 -39.45 93.55 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-O 121.885 0.85 . . . . 0.0 110.816 175.2 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -80.36 8.22 8.0 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.465 1.906 . . . . 0.0 114.52 177.232 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 13.0 t -123.09 -24.02 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 125.96 1.704 . . . . 0.0 111.248 173.187 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.79 -1.13 12.12 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 116.158 1.91 . . . . 0.0 116.158 -176.145 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -126.76 -34.67 2.38 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.966 0.907 . . . . 0.0 110.819 168.985 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.43 ' CD2' ' CD1' ' A' ' 94' ' ' PHE . 13.6 tp -70.53 14.88 0.11 Allowed 'General case' 0 CA--C 1.557 1.214 0 C-N-CA 126.116 1.766 . . . . 0.0 114.372 170.466 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -130.88 139.62 50.13 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 120.026 -1.671 . . . . 0.0 112.59 -169.8 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 68.93 -19.64 0.42 Allowed Glycine 0 CA--C 1.541 1.662 0 C-N-CA 127.351 2.405 . . . . 0.0 118.166 175.077 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . 0.279 2.0 ppt_? -89.3 -34.09 16.7 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 118.994 2.961 . . . . 0.0 118.994 -168.287 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 134' ' ' THR . . . . . 0.443 ' H ' HG12 ' A' ' 140' ' ' VAL . 2.5 m 145.54 152.28 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 131.33 3.852 . . . . 0.0 109.437 -177.505 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 135' ' ' LEU 0.258 13.4 tp -130.63 -96.02 0.36 Allowed 'General case' 0 N--CA 1.486 1.342 0 CA-C-N 119.958 1.254 . . . . 0.0 112.949 169.011 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 36.4 t -56.96 -39.17 74.08 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-N 121.339 1.881 . . . . 0.0 111.744 172.297 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 162.55 31.4 0.02 OUTLIER Glycine 0 CA--C 1.535 1.284 0 N-CA-C 115.387 0.915 . . . . 0.0 115.387 172.138 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 19.9 t -160.9 -161.72 0.86 Allowed 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 105.372 -2.084 . . . . 0.0 105.372 -176.224 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 15.0 ptt180 -41.43 141.79 0.67 Allowed 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.206 1.402 . . . . 0.0 114.688 179.811 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.443 HG12 ' H ' ' A' ' 134' ' ' THR . 5.1 p -141.22 132.09 27.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 C-N-CA 125.521 1.528 . . . . 0.0 107.006 166.607 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.61 104.07 3.58 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 -172.281 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 99.1 t -137.04 129.38 43.79 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 123.707 0.803 . . . . 0.0 109.805 -168.001 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -147.65 150.53 34.55 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 119.505 1.048 . . . . 0.0 111.68 -171.317 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.06 152.97 43.51 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 120.264 1.393 . . . . 0.0 111.466 172.76 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 67.9 m . . . . . 0 N--CA 1.473 0.702 0 N-CA-C 114.795 1.406 . . . . 0.0 114.795 -169.496 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.544 0.738 0 CA-C-O 120.879 0.371 . . . . 0.0 111.933 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.431 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 86.4 m-85 -126.0 155.04 42.06 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 127.698 2.399 . . . . 0.0 109.04 175.98 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -107.14 161.76 14.47 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.925 1.29 . . . . 0.0 111.461 -179.666 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.691 HD22 ' HB3' ' A' ' 30' ' ' PHE . 17.5 tp -142.47 140.55 31.93 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 126.746 2.018 . . . . 0.0 110.56 173.045 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.6 mp -120.9 113.92 41.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 125.241 1.416 . . . . 0.0 110.47 174.851 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.402 ' HA ' HG13 ' A' ' 54' ' ' VAL . 3.6 mp -86.85 67.75 9.91 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 127.721 2.408 . . . . 0.0 109.215 178.55 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 . . . . . 0 CA--C 1.561 1.4 0 C-N-CA 126.563 1.945 . . . . 0.0 114.313 -179.45 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.471 0.611 0 N-CA-C 117.243 2.312 . . . . 0.0 117.243 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -168.87 -157.42 11.52 Favored Glycine 0 CA--C 1.527 0.83 0 N-CA-C 116.661 1.424 . . . . 0.0 116.661 169.679 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -143.49 162.67 35.2 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.082 1.353 . . . . 0.0 111.716 -174.202 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.8 t -158.13 -177.55 6.64 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.469 1.508 . . . . 0.0 110.551 169.758 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 72.4 p -142.39 168.22 20.26 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 125.658 1.583 . . . . 0.0 110.503 173.382 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.6 HG21 ' CG1' ' A' ' 29' ' ' VAL . 5.2 t -153.36 149.37 27.76 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.336 1.054 . . . . 0.0 110.99 175.81 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.6 tp10 -78.51 118.98 21.16 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 167.614 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -138.95 176.05 9.03 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.002 1.321 . . . . 0.0 113.45 177.723 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 62.1 t -79.33 -48.0 21.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 O-C-N 121.2 -0.938 . . . . 0.0 110.25 169.19 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.431 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 5.2 t70 178.47 -157.3 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 131.17 3.788 . . . . 0.0 105.973 178.888 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.79 -20.26 1.22 Allowed 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 121.189 1.813 . . . . 0.0 114.306 169.821 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.75 -8.34 20.65 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.502 1.121 . . . . 0.0 113.685 172.654 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 36.9 m -140.56 -35.41 0.49 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.112 1.765 . . . . 0.0 112.441 177.341 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.403 ' HA ' HG12 ' A' ' 29' ' ' VAL . . . -68.6 -36.87 79.26 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.416 1.486 . . . . 0.0 111.052 176.407 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -76.74 6.97 5.15 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 114.527 1.306 . . . . 0.0 114.527 179.376 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.19 13.96 3.87 Favored 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 124.972 1.309 . . . . 0.0 111.997 174.957 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.6 ' CG1' HG21 ' A' ' 18' ' ' THR . 3.2 p -120.09 -42.31 2.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 124.292 1.037 . . . . 0.0 112.545 179.745 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.691 ' HB3' HD22 ' A' ' 5' ' ' LEU . 22.1 m-85 -64.57 -27.54 69.02 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.15 0.58 . . . . 0.0 112.053 169.7 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -62.13 -3.46 1.29 Allowed 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.435 1.494 . . . . 0.0 115.029 176.034 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -107.0 -52.68 2.73 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.114 0.966 . . . . 0.0 109.093 169.645 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -61.66 -44.87 96.14 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 123.254 0.622 . . . . 0.0 112.303 -176.09 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.31 -52.9 63.5 Favored 'General case' 0 N--CA 1.456 -0.171 0 O-C-N 121.464 -0.772 . . . . 0.0 110.979 175.522 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -67.37 -18.79 65.28 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.081 1.752 . . . . 0.0 112.717 -177.12 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -84.43 -32.3 24.15 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.943 1.297 . . . . 0.0 112.055 173.967 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 66.4 m-80 -72.9 -33.82 66.25 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 168.037 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 122.35 -5.95 10.06 Favored Glycine 0 N--CA 1.439 -1.136 0 C-N-CA 128.612 3.006 . . . . 0.0 113.894 171.943 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.408 HG11 HG13 ' A' ' 54' ' ' VAL . 37.6 t -69.1 148.48 11.59 Favored 'Isoleucine or valine' 0 C--N 1.342 0.251 0 CA-C-N 118.7 1.25 . . . . 0.0 112.005 175.364 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -163.43 34.35 0.09 Allowed 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 114.577 -1.192 . . . . 0.0 111.632 173.59 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -57.5 -159.17 0.02 OUTLIER Glycine 0 CA--C 1.541 1.704 0 C-N-CA 127.461 2.458 . . . . 0.0 117.976 179.732 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -65.33 88.62 0.08 Allowed 'General case' 0 CA--C 1.547 0.853 0 O-C-N 121.23 -1.159 . . . . 0.0 111.648 172.664 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 84.2 m95 -59.25 117.42 4.75 Favored 'General case' 0 C--O 1.235 0.294 0 O-C-N 120.492 -1.38 . . . . 0.0 110.024 179.926 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.01 163.07 28.4 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 126.689 1.996 . . . . 0.0 110.608 -171.848 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -153.04 164.7 37.51 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.39 1.076 . . . . 0.0 111.408 179.624 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -141.31 152.6 44.58 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.639 1.975 . . . . 0.0 110.0 -174.302 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.452 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -124.64 4.53 8.22 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 114.785 1.402 . . . . 0.0 114.785 -177.338 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -92.09 -29.87 16.31 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.862 1.265 . . . . 0.0 110.573 169.547 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -130.37 -7.83 4.22 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 -176.206 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.452 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 1.6 mmpt? 61.03 45.77 8.95 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.063 1.745 . . . . 0.0 112.681 179.232 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 63.5 m -120.47 111.84 18.22 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.912 0.885 . . . . 0.0 111.368 -172.507 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -63.9 158.13 22.99 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 122.068 0.937 . . . . 0.0 111.104 169.003 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 27.0 m -145.13 160.61 41.15 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 125.334 1.454 . . . . 0.0 107.496 170.406 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.408 HG13 HG11 ' A' ' 39' ' ' VAL 0.252 7.2 p -156.23 70.14 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 CA-C-O 122.728 1.251 . . . . 0.0 109.662 -177.071 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 62.9 m . . . . . 0 N--CA 1.475 0.82 0 C-N-CA 124.569 1.147 . . . . 0.0 111.274 -175.35 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.0 mtmp? . . . . . 0 N--CA 1.471 0.617 0 CA-C-O 122.825 1.297 . . . . 0.0 111.739 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 74.1 t -119.2 126.81 75.69 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 C-N-CA 128.177 2.591 . . . . 0.0 108.426 -169.531 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -79.03 152.18 31.06 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 123.444 0.698 . . . . 0.0 110.134 176.68 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.467 HG13 ' HB3' ' A' ' 113' ' ' ALA . 0.2 OUTLIER -154.17 154.21 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 122.192 0.996 . . . . 0.0 112.862 170.125 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 C-N-CA 126.474 1.987 . . . . 0.0 109.989 168.859 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.468 0.471 0 N-CA-C 115.451 1.648 . . . . 0.0 115.451 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 7.9 m -58.08 -52.39 65.73 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 119.869 1.213 . . . . 0.0 112.36 -171.782 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.93 -58.98 6.14 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 -177.641 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.9 pp -65.76 -32.65 74.31 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 118.91 -0.567 . . . . 0.0 111.432 -173.109 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -57.33 -49.35 76.41 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 119.528 1.058 . . . . 0.0 111.948 173.821 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.09 -33.61 73.8 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 119.105 0.866 . . . . 0.0 112.272 173.839 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.32 -38.31 89.77 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.54 0.736 . . . . 0.0 112.203 -179.289 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.498 ' CD2' HG11 ' A' ' 115' ' ' VAL . 14.9 m-85 -76.56 -62.35 1.66 Allowed 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 125.36 1.464 . . . . 0.0 111.412 175.949 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -52.2 -22.62 10.43 Favored Glycine 0 CA--C 1.547 2.081 0 N-CA-C 115.692 1.037 . . . . 0.0 115.692 177.287 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -51.83 -51.61 55.29 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.314 1.445 . . . . 0.0 112.956 168.29 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -69.89 -43.85 70.94 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.951 0.901 . . . . 0.0 111.18 179.482 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -170.95 162.74 35.71 Favored Glycine 0 N--CA 1.478 1.494 0 CA-C-O 118.343 -1.254 . . . . 0.0 113.259 175.248 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -67.35 132.71 28.22 Favored 'Trans proline' 0 CA--C 1.534 0.498 0 CA-C-N 121.552 2.676 . . . . 0.0 113.794 -169.534 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.402 HD13 ' CG2' ' A' ' 103' ' ' VAL . 16.5 mt -69.49 166.38 18.95 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.057 1.743 . . . . 0.0 113.051 175.089 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -130.15 -23.74 2.68 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 127.093 2.157 . . . . 0.0 112.495 175.596 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 11.2 t -157.21 151.65 25.21 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.05 1.34 . . . . 0.0 111.015 169.474 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.402 ' CG2' HD13 ' A' ' 100' ' ' LEU . 80.1 t -143.91 132.13 18.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 125.341 1.456 . . . . 0.0 109.302 173.395 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 53.7 t90 -144.56 153.17 41.54 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 126.598 1.959 . . . . 0.0 111.303 178.741 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.427 ' HA ' ' HA ' ' A' ' 113' ' ' ALA . 2.9 m -139.16 149.57 23.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 O-C-N 121.045 -1.034 . . . . 0.0 112.108 169.934 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.63 0 C-N-CA 123.656 0.782 . . . . 0.0 112.956 -173.38 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 2.6 p90 . . . . . 0 CA--C 1.542 0.659 0 CA-C-O 123.055 1.407 . . . . 0.0 113.945 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.467 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -153.63 173.41 15.82 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 127.906 2.483 . . . . 0.0 112.625 -172.994 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -145.0 147.71 32.94 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.705 0.802 . . . . 0.0 112.579 170.598 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.498 HG11 ' CD2' ' A' ' 94' ' ' PHE . 14.4 m -137.18 179.63 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 C-N-CA 124.626 1.171 . . . . 0.0 112.269 176.468 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -152.69 150.49 29.51 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.415 1.486 . . . . 0.0 109.078 169.854 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.447 ' CZ ' ' HB3' ' A' ' 94' ' ' PHE . 47.1 m-85 -117.46 166.64 12.1 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.42 1.088 . . . . 0.0 112.93 -176.372 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -53.31 -35.08 59.77 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.831 1.252 . . . . 0.0 112.469 172.078 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -151.98 135.4 9.43 Favored Pre-proline 0 CA--C 1.549 0.936 0 C-N-CA 124.977 1.311 . . . . 0.0 110.421 -171.637 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -47.71 -29.08 10.38 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 125.042 3.828 . . . . 0.0 115.336 170.21 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 11.2 ptt-85 -54.57 -38.98 67.32 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 119.702 1.137 . . . . 0.0 111.736 171.52 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -83.75 -41.72 17.32 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -172.562 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.97 -45.63 82.75 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.436 0.694 . . . . 0.0 112.184 169.994 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.31 -44.48 87.76 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.984 0.914 . . . . 0.0 112.795 178.984 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -74.15 -31.58 62.78 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.43 -0.794 . . . . 0.0 112.5 179.364 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.43 -55.94 25.72 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 169.246 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.416 HG22 HG12 ' A' ' 142' ' ' VAL . 35.3 t -48.26 -46.5 13.73 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 124.645 1.178 . . . . 0.0 112.053 171.552 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -51.21 -43.45 61.4 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.471 1.509 . . . . 0.0 112.597 179.429 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -113.65 2.9 15.42 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 115.641 1.719 . . . . 0.0 115.641 -176.946 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.45 ' HB3' HG21 ' A' ' 142' ' ' VAL . 42.7 mt -99.25 -38.3 8.93 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.448 1.499 . . . . 0.0 114.173 173.828 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -64.89 149.63 49.23 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 115.407 1.632 . . . . 0.0 115.407 -168.911 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 69.86 -56.49 0.76 Allowed Glycine 0 CA--C 1.535 1.339 0 C-N-CA 128.193 2.806 . . . . 0.0 118.278 169.218 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 46.6 mtm180 -62.13 -69.4 0.25 Allowed 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.167 1.787 . . . . 0.0 115.656 -167.794 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.2 m -175.6 147.65 0.84 Allowed 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 126.669 1.988 . . . . 0.0 109.008 -170.938 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 2.4 tt -140.67 -62.9 0.48 Allowed 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.216 1.006 . . . . 0.0 109.668 169.46 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 4.0 t -70.0 -44.08 70.09 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 119.199 0.909 . . . . 0.0 111.562 169.835 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 154.8 14.05 0.06 OUTLIER Glycine 0 CA--C 1.538 1.478 0 N-CA-C 116.434 1.334 . . . . 0.0 116.434 -176.998 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 8.9 t -150.45 174.12 13.28 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.744 1.618 . . . . 0.0 107.817 173.836 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.22 130.49 47.22 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.261 1.424 . . . . 0.0 111.514 -169.846 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 22.6 m -117.3 179.06 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 126.814 2.046 . . . . 0.0 112.543 -173.984 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -140.11 133.33 29.71 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 127.763 2.425 . . . . 0.0 108.226 173.419 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.45 HG21 ' HB3' ' A' ' 130' ' ' LEU . 58.4 t -147.47 122.47 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 169.212 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -148.66 -162.15 1.49 Allowed 'General case' 0 N--CA 1.476 0.831 0 O-C-N 121.221 -0.924 . . . . 0.0 111.595 -169.977 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 10.3 tp -118.37 146.3 44.5 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.156 1.383 . . . . 0.0 109.686 174.356 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 19.1 m . . . . . 0 N--CA 1.477 0.897 0 C-N-CA 125.338 1.455 . . . . 0.0 114.853 -177.867 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.9 mtm . . . . . 0 N--CA 1.483 1.19 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -83.55 145.22 29.0 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 120.835 -1.166 . . . . 0.0 111.929 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.418 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 96.9 m-85 -130.5 158.27 40.38 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 127.4 2.28 . . . . 0.0 109.089 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -112.26 162.65 15.27 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.158 1.383 . . . . 0.0 111.672 -176.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.501 HD11 ' HG ' ' A' ' 7' ' ' LEU . 1.5 tm? -146.8 136.77 23.36 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 126.278 1.831 . . . . 0.0 110.86 174.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mp -116.05 131.76 67.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 126.5 1.92 . . . . 0.0 110.746 173.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.501 ' HG ' HD11 ' A' ' 5' ' ' LEU . 2.8 mp -107.34 55.71 0.65 Allowed 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 128.183 2.593 . . . . 0.0 110.918 -176.179 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -56.6 86.18 0.01 OUTLIER 'General case' 0 CA--C 1.555 1.167 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 -178.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -117.36 172.77 14.44 Favored Glycine 0 N--CA 1.473 1.117 0 O-C-N 120.727 -1.233 . . . . 0.0 115.426 171.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 58.0 tptt -62.13 -44.37 96.77 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 121.738 -0.86 . . . . 0.0 112.794 -172.165 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 36.0 p -123.06 -33.91 3.25 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 -170.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.747 ' H ' HD23 ' A' ' 12' ' ' LEU . 2.6 pt? -99.97 -3.38 32.35 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 116.408 2.003 . . . . 0.0 116.408 -168.753 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.469 ' H ' ' HE2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -42.3 147.59 0.25 Allowed 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 117.283 2.327 . . . . 0.0 117.283 -168.763 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -170.11 -155.49 10.25 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 117.484 1.754 . . . . 0.0 117.484 169.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -156.44 158.78 37.88 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 126.481 1.912 . . . . 0.0 112.133 177.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.0 t -156.73 -175.49 5.46 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.908 1.683 . . . . 0.0 110.092 177.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 61.9 p -142.76 170.72 15.17 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 125.804 1.642 . . . . 0.0 110.739 176.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.8 t -157.23 152.73 26.52 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.814 0.846 . . . . 0.0 111.584 172.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.7 tp10 -76.29 122.21 24.08 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 107.0 -1.481 . . . . 0.0 107.0 166.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.22 178.13 7.41 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.461 1.504 . . . . 0.0 112.02 174.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.9 p -84.44 -39.91 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 O-C-N 120.989 -1.07 . . . . 0.0 110.807 169.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.418 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 3.2 p30 178.19 -163.69 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 129.86 3.264 . . . . 0.0 108.054 -179.518 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.32 -27.19 0.97 Allowed 'General case' 0 CA--C 1.553 1.091 0 N-CA-C 114.093 1.145 . . . . 0.0 114.093 170.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.77 -5.41 20.52 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.688 1.595 . . . . 0.0 113.88 178.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.9 m -134.09 -35.38 0.95 Allowed 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 125.079 1.352 . . . . 0.0 112.277 173.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.26 -37.99 89.44 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.775 0.83 . . . . 0.0 110.861 175.043 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -74.63 4.9 5.43 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 178.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.44 18.53 3.97 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 120.298 -1.501 . . . . 0.0 111.788 174.462 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.7 t -119.59 -52.14 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 125.344 1.457 . . . . 0.0 110.01 177.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -61.4 -27.12 68.31 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 123.767 0.827 . . . . 0.0 113.171 176.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -55.76 -30.43 61.24 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.642 1.177 . . . . 0.0 112.975 175.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -81.16 -53.81 6.06 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.291 0.637 . . . . 0.0 109.932 177.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -59.92 -41.7 92.32 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.336 1.054 . . . . 0.0 112.372 -177.026 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.78 -49.45 77.67 Favored 'General case' 0 N--CA 1.452 -0.354 0 O-C-N 121.384 -0.823 . . . . 0.0 111.724 176.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -65.29 -22.24 66.82 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 174.005 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -77.44 -29.43 52.88 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.67 1.123 . . . . 0.0 112.626 174.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 -78.17 -41.57 34.28 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 168.045 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 125.67 -1.84 8.05 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 129.016 3.198 . . . . 0.0 114.556 171.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 41.3 t -73.61 146.0 10.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 CA-C-N 118.925 1.363 . . . . 0.0 110.865 176.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -161.61 53.71 0.25 Allowed 'General case' 0 CA--C 1.55 0.96 0 CA-C-O 121.78 0.8 . . . . 0.0 112.663 169.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.404 ' H ' HG22 ' A' ' 54' ' ' VAL . . . -92.08 -137.72 7.9 Favored Glycine 0 CA--C 1.541 1.672 0 C-N-CA 125.627 1.584 . . . . 0.0 115.451 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -69.86 93.68 0.77 Allowed 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.724 1.21 . . . . 0.0 113.002 -172.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 84.5 m95 -64.74 113.74 3.98 Favored 'General case' 0 C--O 1.235 0.315 0 O-C-N 120.158 -1.589 . . . . 0.0 110.7 178.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.88 163.67 25.83 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 125.982 1.713 . . . . 0.0 111.27 -172.213 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -147.21 147.01 30.03 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.389 1.475 . . . . 0.0 110.161 175.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -112.25 121.21 44.27 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 124.288 1.035 . . . . 0.0 108.93 171.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.7 0.59 42.68 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 115.343 1.609 . . . . 0.0 115.343 -173.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -111.98 -29.2 7.72 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.183 1.393 . . . . 0.0 112.607 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.2 t -113.65 3.35 15.6 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.74 0.816 . . . . 0.0 112.488 173.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? 54.65 40.43 31.88 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 126.076 1.75 . . . . 0.0 112.527 169.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.8 m -121.77 114.42 21.07 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 125.718 1.607 . . . . 0.0 109.167 -170.123 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -68.03 162.41 24.58 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 122.249 1.024 . . . . 0.0 111.271 169.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.7 m -145.67 157.77 43.92 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 124.713 1.205 . . . . 0.0 108.043 169.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.404 HG22 ' H ' ' A' ' 41' ' ' GLY . 9.1 p -147.67 72.83 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 126.273 1.829 . . . . 0.0 109.486 177.526 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.9 m -67.45 110.41 3.6 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 121.305 -0.872 . . . . 0.0 110.202 179.331 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -57.4 146.27 29.86 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 128.021 2.528 . . . . 0.0 115.749 -169.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -167.01 38.33 0.24 Allowed Glycine 0 CA--C 1.535 1.338 0 C-N-CA 126.448 1.975 . . . . 0.0 110.638 169.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.7 m -146.09 -14.21 0.47 Allowed 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.932 1.693 . . . . 0.0 114.779 -168.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -85.31 8.75 17.5 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 124.694 1.198 . . . . 0.0 112.043 174.014 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 60.1 m80 58.24 36.81 25.98 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 127.32 2.248 . . . . 0.0 115.145 169.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -144.34 132.01 21.18 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.158 0.983 . . . . 0.0 112.726 171.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -164.67 146.68 8.34 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.516 1.526 . . . . 0.0 110.979 170.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 15.8 p80 -158.81 156.68 30.15 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.416 1.486 . . . . 0.0 109.991 168.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 24.9 p-80 -156.4 -172.8 4.22 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.637 1.575 . . . . 0.0 110.397 170.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.75 57.65 0.06 Allowed 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 127.486 2.314 . . . . 0.0 115.93 -175.61 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 10.2 p-80 -129.83 155.8 45.39 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.973 1.709 . . . . 0.0 111.387 173.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.2 tpp180 -161.16 -71.1 0.06 Allowed 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 169.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -82.68 38.82 0.58 Allowed 'General case' 0 CA--C 1.555 1.144 0 C-N-CA 125.366 1.466 . . . . 0.0 112.701 -176.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.4 t -151.36 38.78 0.64 Allowed 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.995 2.118 . . . . 0.0 110.25 -177.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 53.1 m -111.18 171.86 4.0 Favored Pre-proline 0 CA--C 1.544 0.734 0 C-N-CA 126.124 1.77 . . . . 0.0 111.867 -173.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -48.61 -14.23 0.34 Allowed 'Trans proline' 0 CA--C 1.542 0.878 0 C-N-CA 124.758 3.639 . . . . 0.0 117.632 172.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 81.5 mt -76.88 -27.6 55.06 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 119.87 1.214 . . . . 0.0 113.34 171.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -84.27 -4.52 58.9 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.26 1.424 . . . . 0.0 114.426 -169.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 35.4 m -65.71 7.9 0.22 Allowed 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 117.85 2.537 . . . . 0.0 117.85 -169.17 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -76.08 141.98 41.87 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 120.522 1.51 . . . . 0.0 111.805 176.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.61 ' HB ' HG13 ' A' ' 115' ' ' VAL . 14.4 t -138.68 158.28 30.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 126.685 1.994 . . . . 0.0 109.706 -169.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -122.88 144.61 49.1 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 128.123 2.569 . . . . 0.0 110.225 178.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.425 HG13 ' HB3' ' A' ' 113' ' ' ALA . 2.0 p -143.61 134.14 21.78 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-O 121.373 0.606 . . . . 0.0 110.739 169.297 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -152.15 173.35 31.33 Favored Glycine 0 N--CA 1.47 0.944 0 N-CA-C 115.47 0.948 . . . . 0.0 115.47 173.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 54.25 54.23 9.82 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.474 1.11 . . . . 0.0 110.299 -168.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 52.7 tp -96.04 -29.37 14.16 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 126.43 1.892 . . . . 0.0 114.479 -175.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 111.97 159.99 15.34 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 125.475 1.512 . . . . 0.0 109.422 -169.139 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 32.5 m120 -67.3 92.51 0.28 Allowed 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 118.542 1.171 . . . . 0.0 112.637 -172.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -153.01 125.34 8.1 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 126.772 2.029 . . . . 0.0 110.113 -177.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -136.58 39.0 1.69 Allowed Glycine 0 CA--C 1.531 1.043 0 C-N-CA 125.689 1.614 . . . . 0.0 112.071 174.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -110.52 -0.46 17.36 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.303 1.441 . . . . 0.0 112.202 -175.764 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.253 19.0 pttp 48.9 -28.52 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 131.6 3.96 . . . . 0.0 119.085 -171.524 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 22.1 m -50.09 -47.65 53.64 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 126.555 1.942 . . . . 0.0 113.946 -169.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.72 -57.62 9.4 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 -178.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.406 HD12 ' N ' ' A' ' 91' ' ' GLU . 3.8 pp -64.51 -32.36 73.96 Favored 'General case' 0 C--O 1.22 -0.476 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.335 -176.385 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.406 ' N ' HD12 ' A' ' 90' ' ' LEU . 36.7 tt0 -64.73 -48.63 73.93 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 125.521 1.529 . . . . 0.0 111.284 178.389 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.44 -31.96 70.6 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 118.536 -0.745 . . . . 0.0 112.378 172.246 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.09 -46.85 87.24 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 119.187 0.903 . . . . 0.0 111.464 175.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.648 ' CZ ' HG11 ' A' ' 115' ' ' VAL . 15.0 m-85 -62.95 -63.24 1.26 Allowed 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 125.038 1.335 . . . . 0.0 111.411 174.212 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -58.08 -20.25 41.58 Favored Glycine 0 CA--C 1.546 2.024 0 N-CA-C 115.917 1.127 . . . . 0.0 115.917 -179.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -57.69 -50.75 72.16 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 119.295 1.547 . . . . 0.0 112.976 169.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -63.17 -37.99 89.4 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 118.822 0.737 . . . . 0.0 110.07 174.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 174.74 160.84 23.49 Favored Glycine 0 N--CA 1.473 1.147 0 CA-C-O 118.577 -1.124 . . . . 0.0 114.625 168.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -54.22 127.67 26.77 Favored 'Trans proline' 0 CA--C 1.536 0.61 0 CA-C-N 121.133 2.466 . . . . 0.0 117.113 -169.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.418 ' HA ' ' HA ' ' A' ' 117' ' ' PHE . 21.3 mt -67.4 169.21 9.37 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.785 2.034 . . . . 0.0 113.243 169.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -123.78 -37.55 2.6 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.756 2.022 . . . . 0.0 111.25 169.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 9.0 t -154.6 157.26 37.95 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.73 1.212 . . . . 0.0 111.594 174.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 78.6 t -144.71 142.22 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 125.614 1.566 . . . . 0.0 108.829 176.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 81.5 t90 -138.77 145.01 39.67 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 125.703 1.601 . . . . 0.0 110.365 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 14.2 m -141.06 153.02 20.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 C-N-CA 124.416 1.087 . . . . 0.0 108.361 170.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.578 ' HB1' ' C2 ' ' B' ' 153' ' ' ' U' . . . -81.13 -172.1 3.58 Favored 'General case' 0 CA--C 1.552 1.057 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -169.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.15 -16.76 13.71 Favored 'General case' 0 N--CA 1.484 1.255 0 N-CA-C 117.736 2.495 . . . . 0.0 117.736 -168.175 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -119.46 114.29 34.62 Favored Pre-proline 0 CA--C 1.542 0.654 0 CA-C-O 117.268 -1.349 . . . . 0.0 108.921 -172.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER 6.83 63.31 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.085 1 C-N-CA 128.088 5.859 . . . . 0.0 116.781 -168.677 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -77.7 158.1 31.81 Favored 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 122.987 2.458 . . . . 0.0 114.797 -167.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -148.42 35.38 1.14 Allowed Glycine 0 CA--C 1.533 1.187 0 C-N-CA 128.299 2.857 . . . . 0.0 108.421 168.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -154.6 140.28 18.0 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 129.84 3.256 . . . . 0.0 107.422 -168.241 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.425 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -164.25 175.24 10.29 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.341 1.056 . . . . 0.0 112.801 -167.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -135.01 164.14 28.3 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-O 122.074 0.94 . . . . 0.0 112.835 175.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.648 HG11 ' CZ ' ' A' ' 94' ' ' PHE . 0.2 OUTLIER -153.91 155.45 6.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 124.502 1.121 . . . . 0.0 110.785 -169.198 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -143.28 128.57 18.83 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.569 1.548 . . . . 0.0 109.498 169.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.418 ' HA ' ' HA ' ' A' ' 100' ' ' LEU . 53.0 m-85 -97.58 173.56 7.08 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.212 1.005 . . . . 0.0 112.72 176.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -90.12 -55.0 3.78 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 120.977 -1.077 . . . . 0.0 112.491 176.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -87.5 130.72 46.31 Favored Pre-proline 0 CA--C 1.547 0.845 0 C-N-CA 124.4 1.08 . . . . 0.0 109.026 170.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -61.72 -22.16 73.77 Favored 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 121.889 1.726 . . . . 0.0 112.56 175.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.9 -27.04 62.58 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.597 1.159 . . . . 0.0 113.009 171.469 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -66.88 -46.9 73.52 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 119.683 1.129 . . . . 0.0 110.315 169.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.37 -44.96 89.07 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 122.752 0.421 . . . . 0.0 111.945 172.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.28 -49.39 77.22 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 118.645 0.657 . . . . 0.0 112.603 178.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.22 -42.91 99.42 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 118.78 0.718 . . . . 0.0 111.642 177.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.88 -55.33 34.31 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.254 0.622 . . . . 0.0 110.416 177.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 41.5 t -52.49 -41.02 35.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 124.733 1.213 . . . . 0.0 111.898 175.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.68 -20.56 61.92 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 114.968 1.47 . . . . 0.0 114.968 -179.358 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -127.75 16.2 6.92 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 115.343 1.608 . . . . 0.0 115.343 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 24.0 mt -112.09 -8.11 14.04 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.176 1.791 . . . . 0.0 113.94 172.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -93.17 151.53 19.78 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 117.19 2.292 . . . . 0.0 117.19 -168.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 57.56 22.09 44.57 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 127.077 2.275 . . . . 0.0 118.406 168.552 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 19.8 mtm180 -128.42 -72.81 0.6 Allowed 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.357 1.579 . . . . 0.0 114.724 -169.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 5.6 m 165.19 145.53 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 130.301 3.44 . . . . 0.0 107.853 -169.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -144.19 -65.03 0.36 Allowed 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 118.18 0.446 . . . . 0.0 110.81 168.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 18.7 t -84.72 -46.42 11.46 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 118.253 0.479 . . . . 0.0 110.657 170.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 170.29 48.05 0.03 OUTLIER Glycine 0 CA--C 1.532 1.151 0 N-CA-C 115.745 1.058 . . . . 0.0 115.745 173.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 5.9 t -153.42 -133.78 0.05 OUTLIER 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 124.197 0.999 . . . . 0.0 111.505 -174.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 18.5 mtm-85 -126.13 -3.86 6.89 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 115.939 1.829 . . . . 0.0 115.939 -170.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 6.1 m 34.13 80.63 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 130.555 3.542 . . . . 0.0 117.145 172.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -76.37 123.82 26.57 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 105.963 -1.866 . . . . 0.0 105.963 166.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 96.7 t -137.43 122.8 25.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 -171.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -142.75 167.78 21.27 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.464 0.705 . . . . 0.0 110.706 -169.276 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 4.2 pp -69.95 147.8 49.74 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 120.302 -1.499 . . . . 0.0 108.551 167.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.5 t -77.6 126.78 31.42 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 121.777 -0.577 . . . . 0.0 111.046 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 49.7 p30 -78.56 3.3 16.51 Favored 'General case' 0 CA--C 1.552 1.047 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 174.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -78.89 47.5 3.11 Favored Glycine 0 CA--C 1.539 1.575 0 C-N-CA 125.862 1.696 . . . . 0.0 116.287 -172.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -147.74 159.58 43.66 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 119.225 1.513 . . . . 0.0 112.888 175.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.06 25.08 2.52 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 126.696 1.998 . . . . 0.0 112.841 178.141 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 15.6 mmt180 . . . . . 0 N--CA 1.483 1.192 0 C-N-CA 126.827 2.051 . . . . 0.0 112.076 -168.303 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 151' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.826 1 C3'-C2'-C1' 105.393 4.326 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 152' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.124 3 O4'-C1'-N19 115.272 7.072 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 153' ' ' ' U' . . . . . 0.578 ' C2 ' ' HB1' ' A' ' 106' ' ' ALA . . . . . . . . 0 C5'--C4' 1.554 3.362 1 N19-C1'-C2' 124.363 6.852 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.351 4 O4'-C1'-N19 118.274 10.074 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.483 1.223 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -88.74 143.04 27.18 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 120.891 -1.13 . . . . 0.0 111.647 175.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.443 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 89.8 m-85 -128.7 156.57 43.28 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 127.347 2.259 . . . . 0.0 108.759 -178.687 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -110.7 161.55 15.65 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.903 1.281 . . . . 0.0 111.414 -178.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.467 HD11 ' HG ' ' A' ' 7' ' ' LEU . 1.5 tm? -146.03 135.45 23.01 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 126.097 1.759 . . . . 0.0 110.572 175.191 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mp -111.62 129.04 67.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 126.218 1.807 . . . . 0.0 110.458 172.257 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.467 ' HG ' HD11 ' A' ' 5' ' ' LEU . 2.4 mp -102.63 65.06 0.9 Allowed 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 128.005 2.522 . . . . 0.0 109.651 178.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -55.97 95.36 0.01 OUTLIER 'General case' 0 CA--C 1.555 1.147 0 C-N-CA 124.108 0.963 . . . . 0.0 112.46 172.088 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -144.77 147.82 19.23 Favored Glycine 0 CA--C 1.533 1.186 0 O-C-N 120.594 -1.316 . . . . 0.0 115.635 170.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 18.3 pttm -38.18 -37.84 0.3 Allowed 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 130.745 3.618 . . . . 0.0 120.703 -169.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.1 m -137.75 3.45 2.49 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.594 1.158 . . . . 0.0 112.254 -168.229 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -146.03 -2.15 0.72 Allowed 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 116.266 1.95 . . . . 0.0 116.266 -167.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.57 146.77 0.21 Allowed 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 116.851 2.167 . . . . 0.0 116.851 -168.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -168.4 -157.54 11.4 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 117.7 1.84 . . . . 0.0 117.7 169.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -157.84 157.88 34.1 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.448 1.899 . . . . 0.0 112.075 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.3 t -156.8 -174.77 5.08 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.921 1.688 . . . . 0.0 110.1 177.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 64.0 p -141.53 170.19 16.18 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 125.84 1.656 . . . . 0.0 110.899 176.008 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.3 t -156.45 154.82 31.03 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.833 0.853 . . . . 0.0 111.432 171.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -80.66 117.08 21.04 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 168.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -134.82 177.13 8.03 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.627 1.571 . . . . 0.0 112.645 179.002 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 52.3 t -85.95 -39.07 13.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 O-C-N 121.294 -0.879 . . . . 0.0 111.741 170.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.443 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 2.9 t70 175.95 -156.05 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 131.14 3.776 . . . . 0.0 106.679 172.26 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.19 -21.97 2.34 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 120.402 1.455 . . . . 0.0 114.325 169.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.39 -7.81 21.63 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.788 1.235 . . . . 0.0 113.589 173.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 22.1 m -138.02 -35.72 0.62 Allowed 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.579 1.552 . . . . 0.0 112.62 176.313 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.24 -39.54 92.85 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.362 1.065 . . . . 0.0 110.511 175.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -76.87 8.82 3.36 Favored 'General case' 0 CA--C 1.553 1.068 0 N-CA-C 114.435 1.272 . . . . 0.0 114.435 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.404 ' O ' ' HE3' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -132.33 17.63 4.46 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.966 1.706 . . . . 0.0 112.482 170.124 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.8 t -118.36 -48.4 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 124.752 1.221 . . . . 0.0 109.418 172.149 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -63.22 -29.23 70.61 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 178.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -61.66 -31.24 71.34 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.521 0.728 . . . . 0.0 112.675 176.046 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -84.74 -44.93 12.9 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.55 1.14 . . . . 0.0 110.159 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -63.02 -42.86 99.9 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.63 0.772 . . . . 0.0 111.989 177.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.76 -47.45 80.95 Favored 'General case' 0 N--CA 1.453 -0.302 0 O-C-N 121.318 -0.864 . . . . 0.0 112.053 -178.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -64.28 -23.13 67.19 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 174.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -79.04 -28.76 43.26 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.248 0.931 . . . . 0.0 113.135 175.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -77.97 -40.97 37.62 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 167.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 125.64 -0.41 7.95 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 128.439 2.923 . . . . 0.0 114.988 169.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.4 t -77.96 141.9 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-N 118.799 1.299 . . . . 0.0 109.908 175.2 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -161.61 60.7 0.26 Allowed 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 122.378 1.085 . . . . 0.0 113.046 169.238 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.427 ' H ' HG22 ' A' ' 54' ' ' VAL . . . -92.04 -147.65 20.99 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 125.163 1.363 . . . . 0.0 115.54 177.445 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -65.47 117.48 8.03 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.695 0.798 . . . . 0.0 111.011 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 77.8 m95 -81.64 130.63 35.12 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.916 0.865 . . . . 0.0 110.592 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -136.03 159.18 42.49 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 126.594 1.958 . . . . 0.0 110.105 -173.474 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -156.29 165.95 34.86 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.389 1.476 . . . . 0.0 110.701 -178.28 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -141.97 165.56 27.12 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.623 1.169 . . . . 0.0 112.18 176.2 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.454 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -125.18 0.31 7.8 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 115.122 1.527 . . . . 0.0 115.122 -179.592 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -94.01 -31.21 14.33 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.011 1.325 . . . . 0.0 111.367 170.059 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.1 t -129.73 2.43 4.94 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.611 1.164 . . . . 0.0 113.728 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.454 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 3.0 mmpt? 51.57 41.05 28.35 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 125.044 1.338 . . . . 0.0 113.612 168.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 45.2 m -118.02 111.6 19.16 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 125.815 1.646 . . . . 0.0 109.119 -170.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -67.42 162.97 21.89 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 122.196 0.998 . . . . 0.0 111.316 169.349 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.2 m -146.59 153.24 40.11 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 124.822 1.249 . . . . 0.0 108.139 169.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.427 HG22 ' H ' ' A' ' 41' ' ' GLY . 13.1 p -138.24 107.58 4.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 126.1 1.76 . . . . 0.0 108.403 171.559 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 87.0 m -109.28 104.13 13.21 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.776 0.83 . . . . 0.0 110.689 -173.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -46.97 120.64 3.16 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 126.088 1.755 . . . . 0.0 112.022 -175.303 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 49.3 28.24 8.74 Favored Glycine 0 CA--C 1.54 1.643 0 N-CA-C 116.14 1.216 . . . . 0.0 116.14 179.23 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.7 m 58.54 26.4 14.3 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.469 1.508 . . . . 0.0 114.889 -174.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -140.39 153.52 46.37 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.784 1.234 . . . . 0.0 112.419 174.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 13.8 t-160 -153.96 105.99 2.8 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 121.283 -0.885 . . . . 0.0 112.565 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -132.33 -157.42 0.82 Allowed 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 126.331 1.853 . . . . 0.0 109.653 175.399 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -131.83 102.12 5.73 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.044 1.337 . . . . 0.0 109.883 175.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 13.1 p80 -143.61 178.18 7.97 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.222 1.009 . . . . 0.0 112.096 176.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 6.7 m80 -126.5 -139.66 0.27 Allowed 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.29 1.036 . . . . 0.0 112.093 -167.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.89 19.36 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 127.103 2.161 . . . . 0.0 115.521 173.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 28.6 p80 -142.28 161.47 37.95 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 127.828 2.451 . . . . 0.0 109.579 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -75.71 143.99 41.79 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.348 0.659 . . . . 0.0 110.228 171.4 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -68.75 -5.09 18.55 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.531 1.532 . . . . 0.0 114.572 171.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 88.7 p -67.38 -6.53 19.42 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.002 1.321 . . . . 0.0 114.267 170.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 42.2 t -124.69 76.95 64.51 Favored Pre-proline 0 CA--C 1.549 0.915 0 C-N-CA 125.652 1.581 . . . . 0.0 111.102 171.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_exo -57.46 80.57 0.04 OUTLIER 'Trans proline' 0 CA--C 1.544 0.988 0 C-N-CA 124.909 3.74 . . . . 0.0 113.46 169.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -58.61 -11.11 2.69 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 126.265 1.826 . . . . 0.0 115.31 -178.153 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -70.63 -9.44 57.01 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 127.51 2.324 . . . . 0.0 114.933 169.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 94.0 m -67.9 13.64 0.08 Allowed 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 115.595 1.702 . . . . 0.0 115.595 178.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -71.97 129.3 38.23 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.808 1.643 . . . . 0.0 111.569 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.447 HG13 HG13 ' A' ' 115' ' ' VAL . 0.2 OUTLIER -133.51 147.14 31.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 C-N-CA 125.874 1.67 . . . . 0.0 109.858 179.213 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -87.18 149.86 24.34 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 127.372 2.269 . . . . 0.0 109.796 177.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.1 p -148.79 115.58 0.86 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.312 0 CA-C-N 118.84 0.745 . . . . 0.0 110.731 169.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -151.49 -170.74 18.67 Favored Glycine 0 N--CA 1.473 1.142 0 N-CA-C 117.72 1.848 . . . . 0.0 117.72 -171.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.7 m120 62.25 23.65 14.01 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 126.964 2.106 . . . . 0.0 115.184 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -69.52 -23.73 63.64 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 120.972 -1.08 . . . . 0.0 112.997 170.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 81.56 -48.13 3.78 Favored Glycine 0 CA--C 1.539 1.581 0 C-N-CA 125.82 1.676 . . . . 0.0 115.993 176.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -151.66 42.97 0.73 Allowed 'General case' 0 CA--C 1.551 0.985 0 CA-C-N 118.834 1.317 . . . . 0.0 114.11 -169.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -144.46 48.14 1.36 Allowed 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.797 1.639 . . . . 0.0 112.287 -177.515 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -72.0 59.79 1.39 Allowed Glycine 0 N--CA 1.477 1.428 0 C-N-CA 125.098 1.332 . . . . 0.0 114.085 176.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -139.46 151.51 46.26 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 127.274 2.23 . . . . 0.0 108.775 174.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.5 ptmm? -111.02 3.95 19.09 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 116.208 1.929 . . . . 0.0 116.208 -170.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 5.5 m -58.0 -52.17 66.61 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 120.629 1.559 . . . . 0.0 111.175 175.378 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.87 -49.5 77.21 Favored 'General case' 0 C--N 1.339 0.135 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 176.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 59.8 mt -54.39 -55.77 25.3 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-O 121.737 0.779 . . . . 0.0 111.219 -175.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -60.32 -42.57 95.87 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 125.277 1.431 . . . . 0.0 112.01 -174.045 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.39 -37.05 66.11 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 119.192 0.906 . . . . 0.0 113.231 171.247 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.97 -46.33 85.1 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 119.242 0.928 . . . . 0.0 110.774 -176.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.424 ' HB3' ' CZ ' ' A' ' 117' ' ' PHE . 11.9 m-85 -63.68 -62.96 1.32 Allowed 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 125.477 1.511 . . . . 0.0 112.084 173.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.82 -19.8 56.18 Favored Glycine 0 CA--C 1.542 1.765 0 N-CA-C 115.289 0.876 . . . . 0.0 115.289 -175.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -54.98 -49.63 70.97 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.119 1.368 . . . . 0.0 112.406 168.69 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -71.01 -40.96 71.5 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.741 0.816 . . . . 0.0 111.183 178.22 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -173.72 161.69 32.29 Favored Glycine 0 N--CA 1.478 1.464 0 CA-C-O 118.8 -1.0 . . . . 0.0 114.279 169.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -64.25 140.71 72.17 Favored 'Trans proline' 0 CA--C 1.536 0.575 0 CA-C-N 120.81 2.305 . . . . 0.0 115.74 -168.217 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 15.7 mt -89.72 160.35 16.62 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 127.164 2.186 . . . . 0.0 113.21 -177.161 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -112.82 -37.66 4.78 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.928 1.691 . . . . 0.0 111.705 169.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 9.8 t -160.21 158.54 30.2 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.121 1.369 . . . . 0.0 112.107 172.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 58.7 t -141.88 143.84 26.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 125.988 1.715 . . . . 0.0 107.907 169.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 80.5 t90 -145.54 149.25 34.26 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 124.898 1.279 . . . . 0.0 111.004 -173.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.422 HG12 ' HB1' ' A' ' 113' ' ' ALA . 4.3 m -141.32 149.98 20.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.104 0.962 . . . . 0.0 109.035 173.09 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -88.31 135.89 33.24 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -169.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.413 ' HE ' ' ND2' ' A' ' 108' ' ' ASN . 0.0 OUTLIER -71.67 0.07 9.63 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 127.703 2.401 . . . . 0.0 116.543 -176.569 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.413 ' ND2' ' HE ' ' A' ' 107' ' ' ARG . 82.4 m-20 -121.35 -43.07 0.04 OUTLIER Pre-proline 0 CA--C 1.549 0.938 0 CA-C-O 117.213 -1.375 . . . . 0.0 113.857 178.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -109.72 94.73 0.02 OUTLIER 'Trans proline' 0 CA--C 1.547 1.17 0 C-N-CA 124.389 3.393 . . . . 0.0 109.543 178.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -75.88 44.98 1.4 Allowed 'Trans proline' 0 CA--C 1.544 1.022 0 C-N-CA 124.83 3.687 . . . . 0.0 113.986 -169.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -150.54 13.34 0.91 Allowed Glycine 0 CA--C 1.532 1.154 0 C-N-CA 125.282 1.42 . . . . 0.0 113.83 177.238 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -145.19 138.83 26.79 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 126.577 1.951 . . . . 0.0 108.795 -169.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.422 ' HB1' HG12 ' A' ' 105' ' ' VAL . . . -163.24 -179.55 6.69 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 -166.668 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -144.49 166.34 25.42 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.447 HG13 HG13 ' A' ' 76' ' ' VAL . 1.4 p -151.17 155.54 7.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 126.247 1.819 . . . . 0.0 111.086 -176.624 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 68.2 tt0 -140.49 120.15 13.34 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.272 1.429 . . . . 0.0 108.8 168.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.424 ' CZ ' ' HB3' ' A' ' 94' ' ' PHE . 33.3 m-85 -88.19 171.49 10.18 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 123.788 0.835 . . . . 0.0 112.238 177.13 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -80.16 -20.5 44.73 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 170.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -144.71 127.8 8.51 Favored Pre-proline 0 CA--C 1.551 0.995 0 C-N-CA 124.006 0.923 . . . . 0.0 111.99 -169.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_exo -56.11 -34.06 91.82 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 123.82 3.014 . . . . 0.0 114.89 177.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 22.5 ttp-105 -58.09 -47.88 81.87 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 119.104 0.865 . . . . 0.0 110.524 175.057 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -76.22 -34.87 59.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.183 -174.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.15 -42.65 95.33 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 122.943 0.497 . . . . 0.0 111.552 169.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -68.21 -44.61 75.39 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.761 0.824 . . . . 0.0 112.456 179.207 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -68.73 -34.2 75.21 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.416 -0.803 . . . . 0.0 112.261 176.461 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.37 -53.39 57.27 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 118.487 -0.768 . . . . 0.0 110.423 169.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 12.4 t -49.13 -48.2 17.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 C-N-CA 124.794 1.238 . . . . 0.0 111.874 172.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 19.7 ttp85 -57.85 -29.16 64.76 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.933 1.693 . . . . 0.0 113.203 177.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -114.35 16.67 17.81 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.395 1.478 . . . . 0.0 113.296 179.3 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 56.5 mt -133.73 -28.6 1.4 Allowed 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.295 1.038 . . . . 0.0 113.678 -178.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -67.6 128.4 36.3 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 120.076 1.307 . . . . 0.0 111.938 173.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 72.83 -39.02 0.77 Allowed Glycine 0 CA--C 1.535 1.329 0 C-N-CA 127.015 2.245 . . . . 0.0 116.68 171.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.88 6.47 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 130.129 3.371 . . . . 0.0 118.368 -172.622 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 90.1 m 65.42 134.12 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 128.559 2.744 . . . . 0.0 114.708 -175.269 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 10.3 tp -164.66 144.51 7.39 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 130.438 3.495 . . . . 0.0 102.534 -179.155 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 34.6 m 60.93 -57.09 0.09 Allowed 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.18 1.392 . . . . 0.0 113.211 -169.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 158.76 33.82 0.02 OUTLIER Glycine 0 CA--C 1.532 1.15 0 N-CA-C 118.37 2.108 . . . . 0.0 118.37 167.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 4.2 t -146.74 -155.72 0.65 Allowed 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 119.206 1.503 . . . . 0.0 112.331 -177.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -100.54 94.2 6.01 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 106.474 -1.676 . . . . 0.0 106.474 172.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 2.0 t -68.32 136.84 25.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 C-N-CA 125.108 1.363 . . . . 0.0 107.772 -173.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -108.55 96.7 6.52 Favored 'General case' 0 CA--C 1.511 -0.538 0 C-N-CA 124.322 1.049 . . . . 0.0 108.429 172.156 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 17.7 t -115.07 108.45 25.43 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 N-CA-C 106.703 -1.591 . . . . 0.0 106.703 -173.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -141.11 145.87 36.35 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 122.069 -0.394 . . . . 0.0 111.476 -167.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -60.08 130.79 48.46 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 120.217 -1.552 . . . . 0.0 109.246 173.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 32.5 t -63.4 119.35 9.55 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 121.398 0.618 . . . . 0.0 111.963 -169.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -132.14 9.47 4.46 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.933 1.693 . . . . 0.0 112.698 -175.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -84.58 171.53 47.52 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 124.19 0.9 . . . . 0.0 114.276 174.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -156.58 -178.77 7.59 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 126.151 1.781 . . . . 0.0 111.441 178.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -163.72 165.76 22.86 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.877 1.671 . . . . 0.0 112.209 169.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? . . . . . 0 C--O 1.253 1.258 0 C-N-CA 126.796 2.038 . . . . 0.0 111.191 176.918 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 151' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.738 1 C3'-C2'-C1' 106.524 5.582 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 152' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.267 1 P-O3'-C3' 125.422 4.768 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.792 3 N19-C1'-C2' 124.48 6.925 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.475 2 O4'-C1'-N19 113.849 5.649 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.7 mmt . . . . . 0 N--CA 1.487 1.42 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . 0.258 20.2 tt0 63.91 137.26 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 128.37 2.668 . . . . 0.0 114.501 -169.185 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -129.37 151.94 49.47 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 126.814 2.046 . . . . 0.0 108.323 -177.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -106.66 163.73 12.66 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.995 1.318 . . . . 0.0 111.174 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.667 HD22 ' HB3' ' A' ' 30' ' ' PHE . 15.9 tp -142.77 140.58 31.45 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 126.824 2.05 . . . . 0.0 110.759 173.213 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.4 mp -119.15 111.84 35.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 126.408 1.883 . . . . 0.0 108.92 173.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.593 HD21 HD21 ' A' ' 5' ' ' LEU . 68.9 mt -82.31 66.59 7.97 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 126.67 1.988 . . . . 0.0 111.549 172.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.428 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 41.1 t30 -65.53 74.1 0.06 Allowed 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 115.263 1.579 . . . . 0.0 115.263 -178.618 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.444 ' HA2' ' HB2' ' A' ' 56' ' ' GLU . . . -92.26 169.25 31.71 Favored Glycine 0 CA--C 1.526 0.735 0 O-C-N 120.962 -1.086 . . . . 0.0 114.467 171.829 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.8 tptt -53.73 -54.58 36.05 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.233 1.013 . . . . 0.0 112.834 -169.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.0 p -124.83 -26.25 3.8 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.785 1.234 . . . . 0.0 113.626 -177.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.564 HD23 ' H ' ' A' ' 12' ' ' LEU . 2.3 pt? -90.43 -5.92 55.53 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 -170.5 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.63 148.32 0.1 Allowed 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 117.262 2.319 . . . . 0.0 117.262 -168.573 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.89 -161.11 16.83 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 116.648 1.419 . . . . 0.0 116.648 169.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -143.15 163.5 32.72 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.1 0.96 . . . . 0.0 112.551 -170.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.7 t -159.33 -177.39 6.41 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.568 1.547 . . . . 0.0 110.541 169.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 77.1 p -141.95 170.45 15.7 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 126.098 1.759 . . . . 0.0 110.347 173.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.662 HG21 HG11 ' A' ' 29' ' ' VAL . 5.3 t -157.59 151.36 24.12 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.154 0.982 . . . . 0.0 110.655 176.522 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -81.1 123.03 28.06 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 107.061 -1.459 . . . . 0.0 107.061 167.158 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.404 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -139.8 173.53 11.44 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.245 1.418 . . . . 0.0 112.272 178.678 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 97.0 t -78.03 -47.23 25.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 O-C-N 121.995 -0.44 . . . . 0.0 110.379 169.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.5 t70 178.75 -156.75 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 130.413 3.485 . . . . 0.0 106.236 178.512 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.52 -19.86 1.64 Allowed 'General case' 0 CA--C 1.547 0.831 0 O-C-N 120.011 -1.681 . . . . 0.0 114.535 169.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.22 -10.4 31.47 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.252 1.021 . . . . 0.0 113.654 172.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.404 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 53.7 m -137.5 -36.01 0.65 Allowed 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 126.105 1.762 . . . . 0.0 112.236 178.271 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.442 ' HA ' HG12 ' A' ' 29' ' ' VAL . . . -68.18 -34.91 77.16 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.988 1.315 . . . . 0.0 111.09 176.783 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -78.03 6.65 7.44 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 177.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.68 18.27 3.31 Favored 'General case' 0 N--CA 1.466 0.357 0 O-C-N 120.503 -1.373 . . . . 0.0 112.202 175.577 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.662 HG11 HG21 ' A' ' 18' ' ' THR . 6.1 p -123.77 -40.73 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 124.532 1.133 . . . . 0.0 111.941 177.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.667 ' HB3' HD22 ' A' ' 5' ' ' LEU . 22.7 m-85 -68.46 -27.5 66.22 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 123.887 0.875 . . . . 0.0 113.031 173.173 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -54.8 -29.01 53.49 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.394 1.478 . . . . 0.0 113.256 176.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -81.06 -53.12 6.69 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.503 0.721 . . . . 0.0 109.922 178.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -60.19 -42.48 95.17 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.26 1.024 . . . . 0.0 112.675 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.95 -52.03 67.19 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 123.803 0.841 . . . . 0.0 111.798 178.071 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -68.76 -17.64 64.07 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -85.02 -30.39 24.19 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.878 0.871 . . . . 0.0 112.828 175.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 56.4 m-80 -76.29 -38.34 56.25 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 168.076 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 123.88 -0.69 9.2 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 128.288 2.851 . . . . 0.0 115.126 169.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.3 t -75.16 147.13 8.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 CA-C-N 118.502 1.151 . . . . 0.0 110.599 175.415 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -164.3 73.42 0.26 Allowed 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 122.413 1.101 . . . . 0.0 111.935 168.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.58 ' H ' HG22 ' A' ' 54' ' ' VAL . . . -111.84 -140.36 8.07 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 125.218 1.389 . . . . 0.0 116.323 -177.265 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -73.93 90.11 1.92 Allowed 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.109 1.364 . . . . 0.0 112.166 -173.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 92.1 m95 -63.88 110.99 2.28 Favored 'General case' 0 C--O 1.235 0.295 0 O-C-N 120.767 -1.208 . . . . 0.0 109.875 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 60.4 m -132.56 163.09 29.64 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 127.851 2.461 . . . . 0.0 109.048 -168.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -157.59 167.41 30.22 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.113 1.365 . . . . 0.0 111.174 -169.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -139.89 163.82 31.62 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.879 1.272 . . . . 0.0 111.608 174.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.439 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -124.73 2.71 8.2 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 114.87 1.433 . . . . 0.0 114.87 -178.523 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -98.36 -31.14 12.18 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.378 1.471 . . . . 0.0 111.435 170.287 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.6 t -127.43 0.85 6.29 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.404 1.081 . . . . 0.0 113.744 178.103 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.439 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 2.9 mmpt? 52.29 42.4 30.9 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.035 1.334 . . . . 0.0 113.421 168.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.7 m -119.49 112.93 19.99 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 126.08 1.752 . . . . 0.0 109.164 -171.472 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -65.32 159.88 22.97 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.194 0.998 . . . . 0.0 111.487 169.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 36.3 m -146.49 150.72 36.13 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 125.508 1.523 . . . . 0.0 108.001 169.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.58 HG22 ' H ' ' A' ' 41' ' ' GLY . 11.1 p -142.47 79.18 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 125.336 1.454 . . . . 0.0 109.732 177.82 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.428 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 10.3 m -67.2 107.63 2.41 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.51 177.224 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.444 ' HB2' ' HA2' ' A' ' 9' ' ' GLY . 21.6 tt0 -42.53 131.35 3.85 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.897 1.679 . . . . 0.0 113.795 -172.219 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -58.23 -15.96 25.06 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 125.297 1.427 . . . . 0.0 116.05 -169.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.0 m -58.73 -23.71 60.25 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.096 1.358 . . . . 0.0 113.52 169.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -149.55 -179.73 7.32 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.515 1.526 . . . . 0.0 113.215 -175.2 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -140.22 151.31 45.08 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.812 2.045 . . . . 0.0 108.306 169.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 25.0 m-70 -133.07 -11.08 2.95 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 115.645 1.72 . . . . 0.0 115.645 -169.606 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -79.35 -41.53 27.67 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 120.359 1.436 . . . . 0.0 112.156 175.046 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -133.78 21.2 3.87 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 126.437 1.895 . . . . 0.0 111.756 177.549 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 18.8 m80 53.37 9.08 0.14 Allowed 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 118.723 2.86 . . . . 0.0 118.723 169.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 40.9 tpp -26.15 -66.02 0.06 Allowed 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 128.054 2.542 . . . . 0.0 115.169 -169.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 27.8 t-80 -90.2 93.15 9.24 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 167.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -34.79 111.53 0.12 Allowed 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 127.172 2.189 . . . . 0.0 114.166 -168.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -66.95 -17.43 64.91 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 114.133 1.16 . . . . 0.0 114.133 177.062 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 39.7 t -152.43 -62.74 0.16 Allowed 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.748 1.219 . . . . 0.0 111.783 170.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.611 ' H ' ' CD ' ' A' ' 71' ' ' PRO . 26.5 p -162.33 -2.12 0.0 OUTLIER Pre-proline 0 CA--C 1.564 1.49 0 N-CA-C 119.519 3.155 . . . . 0.0 119.519 -171.82 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.611 ' CD ' ' H ' ' A' ' 70' ' ' CYS . 96.3 Cg_exo -50.25 162.25 0.89 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 CA-C-N 124.285 2.566 . . . . 0.0 116.846 179.389 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 17.9 tp -121.81 4.59 9.99 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 125.563 1.545 . . . . 0.0 113.171 176.317 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -58.51 -9.14 1.47 Allowed 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 116.499 2.037 . . . . 0.0 116.499 -178.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 9.5 p -65.6 -29.89 70.55 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 120.204 -1.56 . . . . 0.0 112.879 169.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 61.7 mttm -87.18 170.11 11.76 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.193 1.397 . . . . 0.0 112.445 -177.602 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -139.72 146.79 24.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 125.171 1.388 . . . . 0.0 110.565 -179.411 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -102.57 150.56 23.29 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 126.947 2.099 . . . . 0.0 111.08 -173.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.551 HG13 ' HB3' ' A' ' 113' ' ' ALA . 0.7 OUTLIER -147.0 125.98 4.3 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.193 0 O-C-N 122.203 -0.31 . . . . 0.0 110.301 169.543 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.467 ' HA2' ' HA ' ' A' ' 112' ' ' PHE . . . -152.2 -170.47 18.81 Favored Glycine 0 N--CA 1.469 0.9 0 N-CA-C 115.97 1.148 . . . . 0.0 115.97 -179.104 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 40.69 56.05 2.88 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.28 1.432 . . . . 0.0 110.94 -169.298 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 31.5 tp -110.42 -44.77 3.65 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.299 1.439 . . . . 0.0 114.799 -168.343 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 147.73 -178.65 25.19 Favored Glycine 0 CA--C 1.534 1.229 0 CA-C-N 119.233 0.924 . . . . 0.0 115.256 176.396 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -62.38 -33.58 75.02 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.559 1.544 . . . . 0.0 114.63 -177.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 43.0 m-20 -83.95 69.37 10.28 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.584 -0.698 . . . . 0.0 111.707 -169.616 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -67.87 70.28 0.29 Allowed Glycine 0 CA--C 1.531 1.077 0 C-N-CA 126.319 1.914 . . . . 0.0 113.336 175.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -133.28 139.6 47.0 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.2 1.8 . . . . 0.0 109.629 173.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.5 ptmm? -71.24 -28.34 64.11 Favored 'General case' 0 C--O 1.22 -0.456 0 N-CA-C 115.508 1.67 . . . . 0.0 115.508 -175.241 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 21.4 m -46.34 -57.08 4.94 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 115.785 1.772 . . . . 0.0 115.785 -168.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -78.25 -40.86 35.9 Favored 'General case' 0 CA--C 1.531 0.224 0 O-C-N 121.066 -1.021 . . . . 0.0 111.512 -175.477 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.414 HD12 ' N ' ' A' ' 91' ' ' GLU . 3.3 pp -63.77 -32.13 73.54 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.638 1.108 . . . . 0.0 111.847 176.478 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.414 ' N ' HD12 ' A' ' 90' ' ' LEU . 27.5 tt0 -62.6 -46.5 87.99 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 125.165 1.386 . . . . 0.0 111.588 174.394 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -34.84 78.79 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 119.259 0.936 . . . . 0.0 112.518 169.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.34 -48.07 81.46 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 119.306 0.957 . . . . 0.0 111.403 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.562 ' CD2' HG11 ' A' ' 115' ' ' VAL . 19.3 m-85 -64.02 -62.9 1.33 Allowed 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 125.299 1.439 . . . . 0.0 111.61 173.443 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -55.73 -22.7 34.12 Favored Glycine 0 CA--C 1.547 2.033 0 N-CA-C 115.781 1.072 . . . . 0.0 115.781 -178.248 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -55.44 -52.37 63.83 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.708 1.603 . . . . 0.0 112.992 169.276 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -68.64 -40.38 80.3 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.659 0.784 . . . . 0.0 111.198 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -170.22 162.94 36.24 Favored Glycine 0 N--CA 1.477 1.387 0 CA-C-O 118.659 -1.078 . . . . 0.0 113.382 169.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -70.63 134.61 26.53 Favored 'Trans proline' 0 CA--C 1.534 0.501 0 CA-C-N 121.143 2.471 . . . . 0.0 114.51 -169.153 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.532 HD13 ' CG2' ' A' ' 103' ' ' VAL . 22.8 mt -80.46 153.16 28.37 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.535 1.934 . . . . 0.0 112.985 176.473 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -94.68 -43.01 8.47 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 126.403 1.881 . . . . 0.0 110.384 168.361 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 10.7 t -158.24 157.24 32.21 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.157 0.983 . . . . 0.0 111.972 -178.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.532 ' CG2' HD13 ' A' ' 100' ' ' LEU . 98.0 t -142.58 136.94 28.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 126.078 1.751 . . . . 0.0 109.213 178.249 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 86.2 t90 -142.8 146.42 34.2 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 125.4 1.48 . . . . 0.0 111.674 -178.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.415 HG12 ' HB1' ' A' ' 113' ' ' ALA . 3.5 m -143.39 149.97 17.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 124.427 1.091 . . . . 0.0 108.101 169.161 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.57 127.47 31.65 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.66 -0.65 . . . . 0.0 112.507 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.84 24.8 0.07 Allowed 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 126.513 1.925 . . . . 0.0 113.609 170.43 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -138.89 -162.46 0.05 OUTLIER Pre-proline 0 CA--C 1.563 1.464 0 C-N-CA 128.166 2.586 . . . . 0.0 108.528 -169.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_exo -43.17 119.3 1.59 Allowed 'Trans proline' 0 CA--C 1.55 1.321 0 C-N-CA 123.41 2.74 . . . . 0.0 114.405 177.333 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -80.63 169.88 16.35 Favored 'Trans proline' 0 CA--C 1.54 0.795 0 C-N-CA 123.61 2.873 . . . . 0.0 113.473 -170.37 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 140.52 -19.44 2.8 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 125.229 1.395 . . . . 0.0 114.158 173.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.467 ' HA ' ' HA2' ' A' ' 79' ' ' GLY . 0.0 OUTLIER -142.45 169.54 17.38 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 126.085 1.754 . . . . 0.0 111.986 -172.655 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.551 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -167.99 174.72 7.17 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 125.534 1.534 . . . . 0.0 111.656 -168.742 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -145.03 152.11 39.61 Favored 'General case' 0 N--CA 1.483 1.177 0 O-C-N 121.366 -0.834 . . . . 0.0 113.228 173.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.562 HG11 ' CD2' ' A' ' 94' ' ' PHE . 34.9 m -141.97 170.46 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 124.265 1.026 . . . . 0.0 113.183 175.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 60.7 tt0 -143.44 132.97 23.55 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.577 1.151 . . . . 0.0 109.267 169.285 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -104.05 155.68 18.49 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.48 1.512 . . . . 0.0 111.982 178.155 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -72.88 -20.17 61.15 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 175.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -139.19 131.44 15.37 Favored Pre-proline 0 CA--C 1.549 0.905 0 C-N-CA 124.438 1.095 . . . . 0.0 111.771 -172.195 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -78.53 -23.96 8.01 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 123.019 2.479 . . . . 0.0 114.863 -173.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -76.83 -33.76 57.92 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 120.683 1.583 . . . . 0.0 111.446 173.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -70.13 -39.12 75.6 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.515 0.726 . . . . 0.0 110.424 172.105 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.19 -41.68 93.43 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 122.841 0.457 . . . . 0.0 111.695 169.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.85 -43.69 92.21 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 119.338 0.972 . . . . 0.0 112.827 176.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -59.29 -44.16 92.53 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.784 -0.573 . . . . 0.0 111.266 172.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.62 -53.59 52.32 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.378 0.671 . . . . 0.0 110.099 178.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 41.0 t -49.03 -45.45 16.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 125.437 1.495 . . . . 0.0 111.714 174.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.71 -29.35 56.21 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 120.121 1.328 . . . . 0.0 114.449 -178.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -93.05 0.3 57.3 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 119.421 1.01 . . . . 0.0 112.895 176.674 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.444 HD13 ' CE1' ' A' ' 94' ' ' PHE . 89.3 mt -117.28 -29.56 5.84 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 126.133 1.773 . . . . 0.0 113.076 177.231 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -70.13 119.17 13.93 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.648 1.113 . . . . 0.0 112.209 175.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 77.5 41.09 21.33 Favored Glycine 0 CA--C 1.533 1.161 0 N-CA-C 115.422 0.929 . . . . 0.0 115.422 169.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.22 10.81 1.01 Allowed 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 118.639 2.829 . . . . 0.0 118.639 -168.642 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 90.3 m 65.41 129.9 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 127.243 2.217 . . . . 0.0 114.166 -178.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 6.1 tp -153.91 2.34 0.25 Allowed 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 113.399 0.889 . . . . 0.0 113.399 -176.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 34.9 t -158.08 -49.59 0.06 Allowed 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 127.994 2.517 . . . . 0.0 106.662 173.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 164.04 41.96 0.02 OUTLIER Glycine 0 CA--C 1.531 1.072 0 N-CA-C 116.408 1.323 . . . . 0.0 116.408 168.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 2.4 t -154.41 -160.64 1.1 Allowed 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 124.808 1.243 . . . . 0.0 111.002 -175.011 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.81 8.73 40.02 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.735 -1.228 . . . . 0.0 114.196 -170.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 3.5 t 32.77 67.55 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 128.059 2.544 . . . . 0.0 112.144 169.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.24 111.08 16.28 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 121.232 -0.918 . . . . 0.0 109.329 -178.778 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 78.3 t -124.4 129.67 73.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 124.773 1.229 . . . . 0.0 109.767 -168.229 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -145.77 165.91 27.44 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.201 0.6 . . . . 0.0 111.684 -172.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -75.44 140.86 43.15 Favored 'General case' 0 CA--C 1.547 0.849 0 O-C-N 120.793 -1.192 . . . . 0.0 108.534 169.345 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 7.7 m -57.03 115.05 2.39 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 118.966 0.803 . . . . 0.0 112.477 -177.123 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -75.24 56.58 0.82 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 127.144 2.177 . . . . 0.0 112.753 -174.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -126.0 30.2 4.42 Favored Glycine 0 CA--C 1.532 1.105 0 C-N-CA 127.077 2.275 . . . . 0.0 111.632 173.008 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.37 -157.54 0.07 Allowed 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 126.031 1.732 . . . . 0.0 112.092 169.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -112.27 143.86 42.64 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.976 1.71 . . . . 0.0 111.069 -177.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.168 0 C-N-CA 125.664 1.585 . . . . 0.0 112.742 -168.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 151' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.389 0 C3'-C2'-C1' 104.759 3.621 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 152' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.956 3 O4'-C1'-C2' 98.72 -5.486 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.749 3 N19-C1'-C2' 123.204 6.128 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.357 2 O4'-C1'-N19 116.01 7.81 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.4 tpt . . . . . 0 N--CA 1.483 1.205 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -87.02 140.07 29.94 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 120.727 -1.233 . . . . 0.0 112.356 176.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.492 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 96.1 m-85 -127.86 150.98 49.61 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 127.204 2.202 . . . . 0.0 108.969 -177.68 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -106.07 164.43 11.99 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.754 1.221 . . . . 0.0 111.469 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.529 HD11 ' CD2' ' A' ' 7' ' ' LEU . 1.0 OUTLIER -147.61 137.23 22.67 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 127.309 2.244 . . . . 0.0 110.489 177.42 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.6 mp -116.44 112.42 39.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 126.557 1.943 . . . . 0.0 110.612 172.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.529 ' CD2' HD11 ' A' ' 5' ' ' LEU . 85.8 mt -80.17 70.86 6.88 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.632 1.973 . . . . 0.0 110.679 171.763 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -64.36 60.26 0.02 OUTLIER 'General case' 0 CA--C 1.561 1.379 0 C-N-CA 127.153 2.181 . . . . 0.0 114.92 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.93 160.73 19.4 Favored Glycine 0 CA--C 1.532 1.116 0 O-C-N 119.58 -1.95 . . . . 0.0 114.682 -177.473 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -19.73 -74.31 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 129.652 3.181 . . . . 0.0 114.716 -170.073 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.9 m -133.35 -12.3 2.76 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.334 1.454 . . . . 0.0 111.425 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.613 ' H ' HD23 ' A' ' 12' ' ' LEU . 2.2 pt? -89.52 -1.15 57.94 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.283 1.833 . . . . 0.0 114.504 -173.249 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -32.04 147.79 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 127.633 2.373 . . . . 0.0 116.974 -169.057 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -159.9 -165.37 16.68 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 115.947 1.139 . . . . 0.0 115.947 171.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -155.34 168.2 27.86 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.881 1.672 . . . . 0.0 111.194 178.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.5 t -162.05 -174.21 4.02 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.135 1.774 . . . . 0.0 109.698 171.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.4 p -138.72 172.66 12.54 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 125.836 1.654 . . . . 0.0 110.325 171.19 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.0 t -155.58 161.66 40.81 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.038 0.935 . . . . 0.0 110.611 170.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -91.64 120.31 32.3 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.943 0.897 . . . . 0.0 108.83 169.007 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -143.33 175.97 9.51 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.322 1.849 . . . . 0.0 112.22 -173.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.9 p -80.13 -42.27 21.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 O-C-N 121.104 -0.997 . . . . 0.0 110.853 169.296 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.492 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 4.0 t70 174.08 -159.34 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 131.226 3.81 . . . . 0.0 107.018 -178.381 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.06 -25.02 1.81 Allowed 'General case' 0 CA--C 1.545 0.754 0 O-C-N 120.456 -1.403 . . . . 0.0 114.232 171.052 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.03 1.65 3.33 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.524 1.13 . . . . 0.0 113.695 174.533 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.8 m -143.07 -36.79 0.37 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.563 1.545 . . . . 0.0 111.976 171.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.67 -38.71 92.16 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.786 1.234 . . . . 0.0 110.845 175.138 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -74.09 2.53 8.69 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 114.476 1.287 . . . . 0.0 114.476 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.99 17.0 5.12 Favored 'General case' 0 N--CA 1.464 0.261 0 O-C-N 120.416 -1.428 . . . . 0.0 111.722 174.525 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.9 t -118.37 -51.37 4.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 125.19 1.396 . . . . 0.0 110.182 178.09 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -62.91 -26.1 68.63 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 178.067 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -55.0 -32.3 61.69 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.836 1.254 . . . . 0.0 112.484 175.098 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -79.04 -50.91 10.32 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.227 0.611 . . . . 0.0 110.712 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -60.01 -41.26 91.77 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 124.313 1.045 . . . . 0.0 112.399 177.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.01 -48.73 80.53 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.513 0.725 . . . . 0.0 111.64 177.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -67.22 -23.05 65.69 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 177.48 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -79.34 -31.51 43.05 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 174.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -78.18 -32.49 50.14 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 168.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 110.34 3.7 29.15 Favored Glycine 0 CA--C 1.534 1.246 0 C-N-CA 128.819 3.104 . . . . 0.0 114.537 172.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 47.5 t -79.24 145.9 8.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 124.125 0.97 . . . . 0.0 110.839 175.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -163.1 51.78 0.17 Allowed 'General case' 0 CA--C 1.551 1.0 0 CA-C-O 122.64 1.21 . . . . 0.0 112.738 169.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.18 -149.2 4.8 Favored Glycine 0 CA--C 1.539 1.546 0 C-N-CA 125.911 1.719 . . . . 0.0 116.219 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.42 ' HG2' ' HB ' ' A' ' 55' ' ' THR . 6.4 pt-20 -71.96 95.13 1.53 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.405 1.082 . . . . 0.0 111.78 -178.668 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 82.4 m95 -60.75 128.14 35.1 Favored 'General case' 0 C--O 1.233 0.193 0 O-C-N 120.992 -1.067 . . . . 0.0 110.206 178.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.8 161.89 36.13 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 126.007 1.723 . . . . 0.0 110.032 -170.298 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -151.54 167.39 28.21 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.064 1.346 . . . . 0.0 110.29 178.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -139.68 128.25 23.02 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 125.056 1.343 . . . . 0.0 108.416 171.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.544 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 5.9 m-20 -87.8 -2.22 58.47 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 115.087 1.514 . . . . 0.0 115.087 -174.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -106.71 -30.67 8.82 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.406 1.482 . . . . 0.0 112.358 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.2 t -111.74 2.44 17.18 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.031 0.932 . . . . 0.0 112.679 172.468 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.544 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 4.4 mmpt? 51.43 40.49 26.77 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 126.043 1.737 . . . . 0.0 112.817 169.337 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 52.0 m -123.92 111.08 15.62 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.012 1.325 . . . . 0.0 109.293 -170.096 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -66.17 162.62 19.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 122.767 1.27 . . . . 0.0 111.652 170.013 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 29.9 m -147.73 160.48 42.66 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 125.404 1.482 . . . . 0.0 107.432 169.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.49 ' CG1' HD23 ' A' ' 7' ' ' LEU . 13.9 p -147.01 85.04 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 124.652 1.181 . . . . 0.0 109.112 173.493 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.42 ' HB ' ' HG2' ' A' ' 42' ' ' GLU . 96.9 m -83.35 101.65 11.47 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 122.464 1.126 . . . . 0.0 111.358 -171.701 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -95.89 -27.25 15.27 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 127.056 2.142 . . . . 0.0 112.002 177.023 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -145.51 -22.83 0.12 Allowed Glycine 0 CA--C 1.531 1.087 0 N-CA-C 116.137 1.215 . . . . 0.0 116.137 -174.117 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.5 m -74.77 21.22 0.11 Allowed 'General case' 0 N--CA 1.486 1.352 0 CA-C-N 120.79 2.295 . . . . 0.0 113.581 170.015 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -59.69 -52.84 63.76 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 117.485 2.402 . . . . 0.0 117.485 -167.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -144.13 -7.31 0.72 Allowed 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 116.766 2.136 . . . . 0.0 116.766 -169.419 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -158.11 -176.93 6.19 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.099 1.36 . . . . 0.0 111.029 175.108 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.4 m80 -68.64 32.17 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 127.777 2.431 . . . . 0.0 114.704 -176.351 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -54.14 -6.48 0.1 Allowed 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 128.764 2.826 . . . . 0.0 116.173 -169.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -56.11 -25.11 44.55 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.709 1.604 . . . . 0.0 115.02 171.176 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 27.4 ptt? -135.73 -172.52 3.12 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.333 1.053 . . . . 0.0 110.933 173.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 19.3 m80 -121.37 50.9 1.33 Allowed 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.295 1.438 . . . . 0.0 109.922 -174.205 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -159.5 119.69 3.06 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 128.708 2.803 . . . . 0.0 107.665 -169.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 51.21 23.16 1.53 Allowed 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 125.549 1.54 . . . . 0.0 114.931 -174.043 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 77.3 p -120.54 -3.56 9.86 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.131 1.772 . . . . 0.0 114.049 -169.345 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 3.6 m -156.7 168.56 12.19 Favored Pre-proline 0 CA--C 1.552 1.028 0 C-N-CA 129.878 3.271 . . . . 0.0 107.12 170.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -60.38 17.17 0.04 OUTLIER 'Trans proline' 0 CA--C 1.553 1.435 0 C-N-CA 125.158 3.905 . . . . 0.0 118.092 175.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 72.7 mt -43.01 -43.72 4.36 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 128.53 2.732 . . . . 0.0 115.774 -169.089 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.0 p30 -129.42 22.93 5.53 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.731 1.613 . . . . 0.0 112.814 174.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 73.6 m -77.06 12.35 1.45 Allowed 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 124.756 1.222 . . . . 0.0 111.893 168.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -67.23 72.42 0.11 Allowed 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 127.974 2.51 . . . . 0.0 110.993 169.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 90.5 t -51.17 129.78 10.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 C-N-CA 125.377 1.471 . . . . 0.0 110.049 172.115 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -89.52 152.63 21.33 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 124.097 0.959 . . . . 0.0 109.366 171.255 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.475 HG13 ' HB3' ' A' ' 113' ' ' ALA . 0.2 OUTLIER -147.9 141.34 19.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.78 0.8 . . . . 0.0 109.864 169.814 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -139.88 71.88 0.43 Allowed Glycine 0 N--CA 1.469 0.871 0 N-CA-C 110.689 -0.965 . . . . 0.0 110.689 175.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 -60.96 150.98 31.64 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 126.724 2.01 . . . . 0.0 113.321 -170.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.6 tt 57.83 -48.12 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 129.773 3.229 . . . . 0.0 115.859 -175.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 161.49 -36.87 0.4 Allowed Glycine 0 CA--C 1.527 0.844 0 C-N-CA 125.683 1.611 . . . . 0.0 111.41 -179.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -158.22 78.62 0.81 Allowed 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.971 1.308 . . . . 0.0 109.576 171.075 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -150.39 167.11 28.04 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 175.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -160.93 82.27 0.14 Allowed Glycine 0 CA--C 1.528 0.884 0 C-N-CA 125.897 1.713 . . . . 0.0 112.516 -169.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -135.72 143.81 45.55 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.77 1.628 . . . . 0.0 108.27 168.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.2 ptmm? -79.9 -35.88 37.29 Favored 'General case' 0 C--O 1.22 -0.453 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 -175.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 42.7 m -37.68 -67.42 0.19 Allowed 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 126.234 1.813 . . . . 0.0 115.0 -169.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.79 -55.79 20.43 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.732 0.813 . . . . 0.0 109.617 -175.123 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.1 pp -64.36 -33.12 75.11 Favored 'General case' 0 C--O 1.22 -0.48 0 O-C-N 123.437 0.461 . . . . 0.0 111.504 -172.18 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -63.3 -49.93 72.06 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 125.271 1.428 . . . . 0.0 110.804 178.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.98 -34.69 78.31 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 118.89 -1.124 . . . . 0.0 112.296 170.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.67 -38.36 89.08 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.706 0.802 . . . . 0.0 112.598 -177.034 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.517 ' CD2' HG11 ' A' ' 115' ' ' VAL . 14.3 m-85 -74.07 -61.04 1.99 Allowed 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 124.807 1.243 . . . . 0.0 110.73 175.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.27 -19.82 48.01 Favored Glycine 0 CA--C 1.545 1.944 0 N-CA-C 115.466 0.946 . . . . 0.0 115.466 -178.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -54.31 -45.77 72.66 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.805 1.642 . . . . 0.0 113.006 168.312 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -71.12 -42.48 69.19 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 118.527 0.603 . . . . 0.0 110.416 174.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -179.88 160.54 25.7 Favored Glycine 0 N--CA 1.475 1.265 0 CA-C-O 118.728 -1.04 . . . . 0.0 114.667 169.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.31 125.89 19.89 Favored 'Trans proline' 0 N--CA 1.46 -0.482 0 CA-C-N 120.73 2.265 . . . . 0.0 116.166 -169.206 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.555 HD13 ' CG2' ' A' ' 103' ' ' VAL . 16.3 mt -66.69 142.12 57.53 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 113.243 -1.799 . . . . 0.0 111.207 169.716 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? -91.53 -36.53 13.66 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.583 1.153 . . . . 0.0 110.876 169.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 28.1 m -150.56 152.12 33.64 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.84 1.256 . . . . 0.0 111.493 174.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.555 ' CG2' HD13 ' A' ' 100' ' ' LEU . 71.0 t -139.13 128.79 30.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 125.629 1.572 . . . . 0.0 107.219 169.606 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 79.1 t90 -139.99 143.94 36.73 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 124.872 1.269 . . . . 0.0 110.375 177.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.498 HG12 ' HB1' ' A' ' 113' ' ' ALA . 1.3 m -138.69 151.96 24.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 O-C-N 121.223 -0.923 . . . . 0.0 109.163 169.636 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.595 ' HB1' ' C2 ' ' B' ' 153' ' ' ' U' . . . -78.71 172.52 13.6 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -170.04 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.83 -34.49 2.38 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 114.884 1.439 . . . . 0.0 114.884 -173.752 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -73.88 132.61 80.04 Favored Pre-proline 0 CA--C 1.544 0.731 0 N-CA-C 105.511 -2.033 . . . . 0.0 105.511 167.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -2.74 73.61 0.0 OUTLIER 'Trans proline' 0 CA--C 1.544 1.006 1 C-N-CA 128.077 5.851 . . . . 0.0 116.99 -168.867 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -74.34 105.75 2.1 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 123.452 2.768 . . . . 0.0 113.579 -168.311 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -85.87 -1.09 87.24 Favored Glycine 0 CA--C 1.536 1.394 0 CA-C-N 115.647 -0.706 . . . . 0.0 113.386 169.225 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -148.8 177.99 9.05 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 125.651 1.581 . . . . 0.0 113.794 -169.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.498 ' HB1' HG12 ' A' ' 105' ' ' VAL . . . -149.12 175.83 11.01 Favored 'General case' 0 CA--C 1.558 1.252 0 C-N-CA 130.319 3.448 . . . . 0.0 110.389 177.381 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -147.4 149.12 32.12 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.899 1.28 . . . . 0.0 111.755 173.067 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.517 HG11 ' CD2' ' A' ' 94' ' ' PHE . 13.5 m -140.3 173.1 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 CA-C-O 122.345 1.069 . . . . 0.0 113.137 173.704 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 -146.66 145.82 30.17 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 127.305 2.242 . . . . 0.0 107.101 176.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.449 ' HB2' ' HB2' ' A' ' 123' ' ' ALA . 22.0 m-85 -122.54 149.3 44.11 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.223 1.009 . . . . 0.0 111.167 -175.767 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -85.22 -3.84 58.95 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -176.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -144.92 126.1 7.67 Favored Pre-proline 0 CA--C 1.548 0.901 0 C-N-CA 124.681 1.192 . . . . 0.0 110.764 171.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -68.51 -23.81 36.9 Favored 'Trans proline' 0 CA--C 1.538 0.68 0 C-N-CA 123.383 2.722 . . . . 0.0 113.982 -176.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 22.2 ttp-105 -59.84 -50.31 74.28 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 120.021 1.282 . . . . 0.0 109.947 170.275 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -74.59 -33.2 62.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.048 -175.096 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.449 ' HB2' ' HB2' ' A' ' 117' ' ' PHE . . . -58.61 -46.69 86.5 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.51 0.724 . . . . 0.0 110.99 169.446 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.34 -45.69 79.36 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.336 0.654 . . . . 0.0 111.576 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.21 -32.67 73.05 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 118.938 0.79 . . . . 0.0 112.549 178.463 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.81 -54.75 38.04 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 121.787 -0.571 . . . . 0.0 110.105 169.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 46.6 t -52.78 -40.83 36.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.684 1.193 . . . . 0.0 112.077 174.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 23.8 ttp180 -59.25 -34.73 72.58 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 126.699 2.0 . . . . 0.0 112.762 177.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -118.85 12.82 13.03 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 124.817 1.247 . . . . 0.0 113.961 -170.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.41 HD13 ' CE1' ' A' ' 94' ' ' PHE . 33.7 mt -120.6 -22.35 6.41 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 114.896 1.443 . . . . 0.0 114.896 -178.416 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -78.17 145.15 35.78 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 120.173 1.351 . . . . 0.0 113.972 -177.172 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 60.14 -35.56 0.04 OUTLIER Glycine 0 CA--C 1.526 0.739 1 C-N-CA 130.857 4.075 . . . . 0.0 122.513 168.14 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 34.7 ptt180 -71.4 -37.46 71.52 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 -168.055 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.8 m 154.33 143.41 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 129.973 3.309 . . . . 0.0 109.947 -178.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 46.7 tp -140.25 -61.76 0.51 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.673 1.189 . . . . 0.0 108.095 167.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 91.9 m -87.64 -23.73 24.15 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 169.068 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 152.24 0.25 0.25 Allowed Glycine 0 CA--C 1.541 1.665 0 N-CA-C 117.686 1.834 . . . . 0.0 117.686 175.202 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 10.5 t -152.89 -160.85 1.19 Allowed 'General case' 0 CA--C 1.554 1.118 0 CA-C-N 119.437 1.618 . . . . 0.0 110.936 -176.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -63.6 79.38 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 127.039 2.136 . . . . 0.0 113.037 -176.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 2.1 p -67.15 127.37 28.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 126.883 2.073 . . . . 0.0 107.497 169.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 56.8 mtt85 -99.2 140.61 33.11 Favored 'General case' 0 CA--C 1.513 -0.463 0 O-C-N 121.433 -0.792 . . . . 0.0 109.027 170.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 69.8 t -145.31 118.23 2.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 169.188 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -139.3 -160.16 1.03 Allowed 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.869 1.268 . . . . 0.0 108.764 -176.269 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -151.72 145.69 25.21 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 119.778 -1.826 . . . . 0.0 114.911 169.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 6.6 t 21.67 45.94 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 131.434 3.893 . . . . 0.0 119.156 168.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -132.77 80.34 1.89 Allowed 'General case' 0 CA--C 1.545 0.755 0 O-C-N 120.301 -1.499 . . . . 0.0 112.906 -176.13 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -177.54 36.08 0.08 OUTLIER Glycine 0 CA--C 1.532 1.14 0 C-N-CA 125.61 1.576 . . . . 0.0 112.126 169.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 88.56 -142.3 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 129.173 2.989 . . . . 0.0 107.68 -167.771 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . 0.322 1.1 mptt 58.79 36.69 24.89 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 127.151 2.18 . . . . 0.0 114.192 171.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.113 1 C-N-CA 131.839 4.055 . . . . 0.0 114.553 168.344 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 151' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.135 1 C3'-C2'-C1' 105.29 4.211 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 152' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.998 3 O4'-C1'-N19 112.935 4.735 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 153' ' ' ' U' . . . . . 0.595 ' C2 ' ' HB1' ' A' ' 106' ' ' ALA . . . . . . . . 0 C5'--C4' 1.548 2.889 1 N19-C1'-C2' 121.686 5.179 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear build full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.365 3 O4'-C1'-N19 115.577 7.377 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.8 tpt . . . . . 0 N--CA 1.484 1.273 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -84.63 141.35 30.71 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 119.924 1.238 . . . . 0.0 111.399 174.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.497 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 80.5 m-85 -126.02 154.63 42.7 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 127.209 2.203 . . . . 0.0 108.472 -179.616 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -106.67 163.74 12.66 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.596 1.158 . . . . 0.0 111.167 178.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.614 HD22 ' HB3' ' A' ' 30' ' ' PHE . 12.4 tp -143.96 139.19 28.96 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 127.114 2.166 . . . . 0.0 109.663 172.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.6 mp -117.37 110.13 30.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 125.71 1.604 . . . . 0.0 108.725 173.174 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.597 HD21 HD21 ' A' ' 5' ' ' LEU . 54.1 mt -79.54 73.26 6.22 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.304 1.042 . . . . 0.0 109.234 169.712 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -63.29 51.17 0.02 OUTLIER 'General case' 0 CA--C 1.56 1.346 0 C-N-CA 125.917 1.687 . . . . 0.0 113.432 173.134 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -79.45 70.91 2.75 Favored Glycine 0 C--N 1.335 0.494 0 O-C-N 119.435 -2.041 . . . . 0.0 113.083 -177.075 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 31.98 -92.14 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 129.114 2.966 . . . . 0.0 114.383 176.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 32.3 p -81.96 -20.85 37.72 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 114.869 1.433 . . . . 0.0 114.869 -175.369 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.07 -41.59 6.38 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 119.897 1.226 . . . . 0.0 113.438 -169.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 15.56 155.06 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.91 2 C-N-CA 134.518 5.127 . . . . 0.0 122.129 -169.034 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.83 -163.06 21.09 Favored Glycine 0 CA--C 1.533 1.203 0 N-CA-C 116.456 1.342 . . . . 0.0 116.456 169.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -160.24 162.71 33.76 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 126.536 1.934 . . . . 0.0 111.994 178.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.8 t -158.72 -174.43 4.77 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.56 1.944 . . . . 0.0 110.443 174.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.7 p -142.07 172.71 12.32 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.65 1.58 . . . . 0.0 110.926 173.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.0 t -160.99 151.02 17.46 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.75 0.82 . . . . 0.0 111.612 173.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.8 tp10 -75.27 121.87 22.83 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 106.674 -1.602 . . . . 0.0 106.674 166.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -138.59 176.12 8.97 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.854 1.662 . . . . 0.0 111.996 176.462 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.3 p -85.5 -32.53 7.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 O-C-N 121.375 -0.828 . . . . 0.0 112.496 169.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.497 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 1.6 t70 169.04 -159.0 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.051 1 C-N-CA 131.823 4.049 . . . . 0.0 107.657 176.439 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.97 -22.92 1.73 Allowed 'General case' 0 CA--C 1.547 0.839 0 O-C-N 120.599 -1.313 . . . . 0.0 114.064 169.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.84 -5.36 16.2 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.549 1.14 . . . . 0.0 113.729 174.337 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.5 m -136.6 -36.47 0.7 Allowed 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.754 1.621 . . . . 0.0 112.36 173.304 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.49 -38.43 90.98 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.866 1.267 . . . . 0.0 110.902 176.34 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -74.38 3.64 7.12 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 178.27 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.413 ' HE3' HG23 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -133.04 18.44 4.11 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 120.307 -1.496 . . . . 0.0 111.828 174.912 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.413 HG23 ' HE3' ' A' ' 28' ' ' LYS . 3.9 t -120.34 -51.39 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 125.202 1.401 . . . . 0.0 110.039 178.021 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.614 ' HB3' HD22 ' A' ' 5' ' ' LEU . 23.4 m-85 -61.81 -27.67 68.93 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 177.569 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -54.53 -30.56 54.1 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.239 1.416 . . . . 0.0 113.057 176.137 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -80.61 -50.47 9.93 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.552 0.741 . . . . 0.0 110.582 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -62.18 -42.04 98.9 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 124.261 1.024 . . . . 0.0 112.531 178.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.15 -49.57 76.52 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 123.802 0.841 . . . . 0.0 112.021 178.427 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -69.95 -17.79 63.33 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 178.055 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -82.49 -30.87 29.61 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 119.161 0.891 . . . . 0.0 113.159 173.208 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -78.42 -33.15 48.81 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 168.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.11 5.35 23.4 Favored Glycine 0 CA--C 1.533 1.217 0 C-N-CA 128.388 2.899 . . . . 0.0 114.774 170.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.5 t -78.77 146.64 7.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 124.035 0.934 . . . . 0.0 111.216 175.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -163.27 52.66 0.17 Allowed 'General case' 0 CA--C 1.548 0.895 0 CA-C-O 122.39 1.091 . . . . 0.0 112.032 169.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.64 -148.53 4.84 Favored Glycine 0 CA--C 1.541 1.664 0 C-N-CA 125.812 1.672 . . . . 0.0 115.568 177.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -69.11 88.64 0.42 Allowed 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.353 1.861 . . . . 0.0 112.613 176.374 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 80.8 m95 -57.08 122.79 13.2 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 124.246 1.018 . . . . 0.0 110.138 175.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.07 164.08 28.45 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 126.651 1.98 . . . . 0.0 110.563 -170.117 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -151.91 156.95 41.12 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.949 1.3 . . . . 0.0 110.392 176.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -129.12 122.57 30.16 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 125.412 1.485 . . . . 0.0 107.934 171.304 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.487 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.7 OUTLIER -84.31 -8.4 59.02 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 -173.838 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -99.64 -29.07 12.88 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.257 1.423 . . . . 0.0 112.022 -177.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.0 t -112.97 2.86 15.94 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.419 0.688 . . . . 0.0 112.794 171.215 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.487 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 4.3 mmpt? 54.36 40.2 31.56 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.048 1.739 . . . . 0.0 112.431 169.6 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 58.1 m -123.46 108.07 12.27 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 124.914 1.285 . . . . 0.0 109.719 -169.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -62.92 161.51 12.77 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 122.507 1.146 . . . . 0.0 110.762 168.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 21.5 m -147.01 161.21 41.27 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 169.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.7 p -149.68 77.84 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 C-N-CA 125.253 1.421 . . . . 0.0 108.61 172.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 91.1 m -76.89 116.94 18.01 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.861 -176.002 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.24 59.69 1.82 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.398 -1.439 . . . . 0.0 110.755 169.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -66.33 -47.26 72.41 Favored Glycine 0 CA--C 1.528 0.88 0 C-N-CA 125.387 1.47 . . . . 0.0 112.663 -172.335 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 38.9 p -171.54 33.72 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.77 2.028 . . . . 0.0 110.903 -175.034 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 48.6 m80 -122.63 -4.36 8.73 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 116.59 2.071 . . . . 0.0 116.59 -167.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -136.92 -44.52 0.58 Allowed 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 119.911 1.232 . . . . 0.0 113.606 171.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 19.5 p-80 -78.05 18.98 0.45 Allowed 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.398 1.479 . . . . 0.0 113.995 173.13 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -136.72 141.91 43.07 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 126.362 1.865 . . . . 0.0 111.034 -177.324 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -159.85 152.22 20.95 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.731 1.613 . . . . 0.0 111.047 169.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -153.4 150.84 29.26 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.989 1.716 . . . . 0.0 110.361 173.508 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 22.8 mmt -123.35 -6.11 8.24 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 115.296 1.591 . . . . 0.0 115.296 -168.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -141.99 -6.15 0.98 Allowed 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.18 0.992 . . . . 0.0 113.474 -171.309 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.3 mmm180 -138.51 125.97 21.87 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.962 1.305 . . . . 0.0 110.123 -170.207 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.5 p-10 -84.92 58.03 4.76 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.439 1.496 . . . . 0.0 111.647 175.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.6 m -59.83 86.75 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 127.477 2.311 . . . . 0.0 113.26 -176.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 99.6 m -63.73 154.38 80.69 Favored Pre-proline 0 CA--C 1.555 1.172 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 -175.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -59.1 29.95 0.04 OUTLIER 'Trans proline' 0 CA--C 1.554 1.511 1 C-N-CA 126.901 5.067 . . . . 0.0 118.607 173.547 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.8 pp -140.39 158.1 44.52 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.027 1.731 . . . . 0.0 111.901 -176.063 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -69.72 154.83 41.43 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 123.842 0.857 . . . . 0.0 112.823 -174.194 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 28.0 p -111.68 8.9 20.93 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.122 1.769 . . . . 0.0 113.193 178.313 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 42.6 mttp -61.97 135.68 57.65 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.006 0.922 . . . . 0.0 110.442 168.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 39.8 t -127.38 139.5 51.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.849 1.26 . . . . 0.0 110.044 -175.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -91.85 148.77 21.98 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 126.62 1.968 . . . . 0.0 110.352 170.146 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.51 HG13 ' HB3' ' A' ' 113' ' ' ALA . 0.8 OUTLIER -152.45 150.12 13.11 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 CA-C-O 122.276 1.036 . . . . 0.0 113.393 172.41 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -141.02 155.82 25.22 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 125.863 1.697 . . . . 0.0 111.193 168.476 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -143.93 -168.2 2.79 Favored 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -167.237 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.0 tt -38.59 -57.91 1.11 Allowed 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 126.389 1.876 . . . . 0.0 112.975 -174.158 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 136.78 145.97 5.08 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 125.539 1.542 . . . . 0.0 112.878 173.153 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 42.79 44.24 3.75 Favored 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 126.118 1.767 . . . . 0.0 113.867 -176.582 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -135.51 6.88 3.28 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 125.691 1.596 . . . . 0.0 113.626 -176.474 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -42.83 89.3 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 C-N-CA 129.223 3.297 . . . . 0.0 116.142 -174.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -142.72 134.81 27.26 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.561 1.944 . . . . 0.0 108.201 170.091 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.0 ptmm? -62.48 -26.71 68.68 Favored 'General case' 0 C--O 1.22 -0.491 0 N-CA-C 115.184 1.55 . . . . 0.0 115.184 -176.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 83.0 m -46.72 -54.64 9.25 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 115.488 1.662 . . . . 0.0 115.488 -169.337 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -72.25 -48.93 38.96 Favored 'General case' 0 CA--C 1.531 0.242 0 O-C-N 121.344 -0.847 . . . . 0.0 111.69 -177.462 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.0 pp -62.22 -33.58 74.84 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.425 -0.797 . . . . 0.0 111.877 178.337 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -62.82 -45.69 91.46 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 125.578 1.551 . . . . 0.0 112.504 176.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.08 -41.81 94.68 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 119.527 1.058 . . . . 0.0 111.061 170.252 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.99 -43.31 99.04 Favored 'General case' 0 C--O 1.223 -0.334 0 C-N-CA 123.713 0.805 . . . . 0.0 111.705 -176.147 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.572 ' CD2' HG21 ' A' ' 115' ' ' VAL . 13.8 m-85 -68.28 -63.97 0.95 Allowed 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 125.643 1.577 . . . . 0.0 112.051 173.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.93 -18.43 47.15 Favored Glycine 0 CA--C 1.545 1.945 0 N-CA-C 115.248 0.859 . . . . 0.0 115.248 -174.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -54.85 -51.8 64.79 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.276 1.831 . . . . 0.0 112.861 168.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -68.03 -41.05 82.72 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.376 0.671 . . . . 0.0 111.052 177.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -170.75 156.88 27.54 Favored Glycine 0 N--CA 1.473 1.126 0 CA-C-O 118.374 -1.237 . . . . 0.0 113.338 170.336 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -63.05 146.49 94.59 Favored 'Trans proline' 0 CA--C 1.536 0.603 0 CA-C-N 121.134 2.467 . . . . 0.0 113.632 -169.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.537 HD13 ' CG2' ' A' ' 103' ' ' VAL . 14.9 mt -92.09 164.62 13.53 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.432 1.893 . . . . 0.0 112.056 -177.726 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 30.5 mtm105 -127.01 -21.26 4.01 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.924 1.29 . . . . 0.0 113.773 169.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 16.2 m -154.36 148.42 25.76 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.398 1.479 . . . . 0.0 110.792 169.204 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.537 ' CG2' HD13 ' A' ' 100' ' ' LEU . 17.5 t -144.23 130.76 16.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 125.365 1.466 . . . . 0.0 107.758 175.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 70.2 t90 -139.97 139.1 36.0 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 124.544 1.137 . . . . 0.0 110.297 -170.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.448 HG12 ' HB1' ' A' ' 113' ' ' ALA . 3.3 m -135.98 144.52 33.15 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 169.451 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.489 ' HB1' ' C2 ' ' B' ' 153' ' ' ' U' . . . -78.1 157.37 29.52 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 -168.445 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 35.6 ptt85 -88.97 4.71 47.23 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 125.758 1.623 . . . . 0.0 114.73 -175.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -146.06 163.46 30.49 Favored Pre-proline 0 CA--C 1.561 1.389 0 C-N-CA 128.753 2.821 . . . . 0.0 107.322 174.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . 0.273 0.1 OUTLIER 30.54 61.95 0.0 OUTLIER 'Trans proline' 0 CA--C 1.549 1.239 0 C-N-CA 123.935 3.09 . . . . 0.0 117.27 -167.048 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -73.63 60.61 4.31 Favored 'Trans proline' 0 CA--C 1.547 1.154 1 C-N-CA 125.625 4.217 . . . . 0.0 113.863 -173.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -133.06 11.57 5.08 Favored Glycine 0 CA--C 1.539 1.587 0 C-N-CA 125.941 1.734 . . . . 0.0 112.797 169.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -147.27 154.62 41.2 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 128.2 2.6 . . . . 0.0 107.998 -169.635 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.51 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -165.58 176.78 7.84 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.85 1.26 . . . . 0.0 114.397 -166.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -147.54 170.79 16.7 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 177.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.572 HG21 ' CD2' ' A' ' 94' ' ' PHE . 1.5 t -158.05 164.95 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 C-N-CA 126.457 1.903 . . . . 0.0 112.676 -170.522 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -146.93 123.57 11.15 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 126.58 1.952 . . . . 0.0 108.872 165.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.404 ' CZ ' ' HB3' ' A' ' 94' ' ' PHE . 24.0 m-85 -89.64 169.63 11.16 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 113.966 1.098 . . . . 0.0 113.966 -176.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -57.78 -42.29 83.78 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 120.926 -1.108 . . . . 0.0 111.609 169.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -140.71 138.72 18.78 Favored Pre-proline 0 CA--C 1.55 0.966 0 C-N-CA 123.755 0.822 . . . . 0.0 112.959 -170.062 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_exo -53.31 -35.14 73.45 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 124.605 3.536 . . . . 0.0 115.467 175.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 3.2 ttp85 -62.82 -40.8 98.52 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 119.292 0.951 . . . . 0.0 111.228 175.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -74.3 -37.56 63.62 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 118.72 -0.657 . . . . 0.0 111.948 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.43 -45.77 90.61 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.029 0.831 . . . . 0.0 111.823 169.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.58 -45.33 87.46 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.388 0.675 . . . . 0.0 112.054 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -70.13 -33.51 71.92 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.191 0.996 . . . . 0.0 112.699 178.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.27 -54.02 39.86 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.309 0.644 . . . . 0.0 110.276 169.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 39.5 t -49.59 -48.51 20.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 124.449 1.1 . . . . 0.0 111.458 173.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 54.9 ttp85 -57.35 -40.01 77.14 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.749 1.62 . . . . 0.0 113.238 -179.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -102.96 -14.23 16.58 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -173.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.414 ' HB3' HG21 ' A' ' 142' ' ' VAL . 45.0 mt -86.79 -42.25 13.45 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 125.422 1.489 . . . . 0.0 112.986 172.511 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -61.6 137.42 58.24 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -169.208 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 63.23 6.57 14.49 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 125.603 1.573 . . . . 0.0 116.319 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 4.7 mmt-85 -84.23 -77.97 0.25 Allowed 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 119.723 1.761 . . . . 0.0 112.437 -176.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.7 m 164.79 145.41 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 130.096 3.359 . . . . 0.0 109.95 177.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 14.2 mt -158.2 145.34 17.92 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 128.925 2.89 . . . . 0.0 105.126 168.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . 0.259 34.2 m 65.53 -48.55 0.38 Allowed 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 126.62 1.968 . . . . 0.0 111.978 -168.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 126.27 56.78 0.15 Allowed Glycine 0 C--N 1.347 1.16 0 N-CA-C 118.989 2.355 . . . . 0.0 118.989 166.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 49.0 t -154.7 -50.02 0.09 Allowed 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.687 0.795 . . . . 0.0 110.222 169.278 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.8 163.98 31.77 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 127.566 2.346 . . . . 0.0 109.897 174.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 3.5 p -143.43 149.82 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 124.334 1.054 . . . . 0.0 111.264 171.294 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.428 HH11 ' HG2' ' A' ' 141' ' ' ARG . 0.0 OUTLIER -124.67 134.29 52.93 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 126.909 2.084 . . . . 0.0 105.83 168.636 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.414 HG21 ' HB3' ' A' ' 130' ' ' LEU . 97.5 t -145.45 129.12 11.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 170.091 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -142.23 169.54 17.39 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 119.781 1.173 . . . . 0.0 111.772 -178.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -79.41 134.01 36.56 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 120.427 -1.42 . . . . 0.0 108.235 169.351 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 8.0 m -53.9 114.97 1.77 Allowed 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.01 0.924 . . . . 0.0 112.882 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 29.7 m-80 -140.94 -57.8 0.51 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.965 1.706 . . . . 0.0 111.375 -178.039 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 150.41 167.3 14.3 Favored Glycine 0 CA--C 1.538 1.515 0 N-CA-C 115.659 1.024 . . . . 0.0 115.659 172.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 57.28 167.87 0.04 OUTLIER 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 128.884 2.874 . . . . 0.0 116.451 177.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.49 113.79 23.29 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 126.093 1.757 . . . . 0.0 109.931 171.782 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.254 1.331 0 C-N-CA 126.688 1.995 . . . . 0.0 112.233 -169.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 151' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.167 2 C3'-C2'-C1' 105.912 4.902 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 152' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.07 2 P-O3'-C3' 126.448 5.624 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 153' ' ' ' U' . . . . . 0.489 ' C2 ' ' HB1' ' A' ' 106' ' ' ALA . . . . . . . . 0 C5'--C4' 1.546 2.741 2 N19-C1'-C2' 124.036 6.647 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.889 2 P-O3'-C3' 127.708 6.673 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.273 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -89.45 141.85 28.19 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 120.692 -1.255 . . . . 0.0 112.591 -173.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -122.46 150.59 42.29 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 127.198 2.199 . . . . 0.0 108.614 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -100.82 163.38 12.34 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.265 1.026 . . . . 0.0 111.275 177.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.533 HD11 ' CD2' ' A' ' 7' ' ' LEU . 1.1 tm? -144.6 137.39 26.69 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 127.218 2.207 . . . . 0.0 109.594 174.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.3 mp -115.44 111.49 35.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 126.22 1.808 . . . . 0.0 108.736 172.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.533 ' CD2' HD11 ' A' ' 5' ' ' LEU . 89.9 mt -79.52 74.5 6.16 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 124.507 1.123 . . . . 0.0 108.255 169.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -61.97 50.51 0.01 OUTLIER 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 126.453 1.901 . . . . 0.0 113.702 174.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -78.52 54.2 4.02 Favored Glycine 0 C--O 1.225 -0.406 0 O-C-N 119.148 -2.22 . . . . 0.0 114.014 178.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.5 pttt 44.86 -47.46 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.96 1 C-N-CA 131.858 4.063 . . . . 0.0 120.903 168.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.7 m -124.48 -30.92 3.31 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 128.14 2.576 . . . . 0.0 110.62 -173.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.42 -3.78 17.92 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.931 1.692 . . . . 0.0 114.198 -175.367 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -34.35 149.97 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 118.073 2.62 . . . . 0.0 118.073 -167.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -157.25 -161.31 10.74 Favored Glycine 0 CA--C 1.532 1.099 0 N-CA-C 116.963 1.545 . . . . 0.0 116.963 169.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -150.05 165.56 32.37 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 125.261 1.425 . . . . 0.0 112.216 -174.423 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.8 t -162.15 -175.6 4.68 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 126.254 1.822 . . . . 0.0 110.614 169.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 74.6 p -140.08 169.45 17.67 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 126.005 1.722 . . . . 0.0 110.691 172.321 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.629 HG21 HG11 ' A' ' 29' ' ' VAL . 5.5 t -155.67 142.7 19.11 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.316 -0.865 . . . . 0.0 111.033 177.154 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -76.28 108.32 9.14 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 169.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.528 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -131.77 174.19 10.39 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.281 1.432 . . . . 0.0 113.569 -176.539 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 84.2 t -81.05 -47.3 20.24 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 O-C-N 121.288 -0.882 . . . . 0.0 110.548 169.368 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.8 t70 178.88 -156.92 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 130.626 3.57 . . . . 0.0 106.405 178.131 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.43 -19.78 1.53 Allowed 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 120.917 1.69 . . . . 0.0 114.658 170.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.0 -8.85 25.34 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.336 1.054 . . . . 0.0 113.488 172.474 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.528 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 43.2 m -138.99 -36.25 0.54 Allowed 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 126.425 1.89 . . . . 0.0 112.054 -179.554 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.416 ' HA ' HG12 ' A' ' 29' ' ' VAL . . . -70.7 -36.85 73.46 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.26 1.424 . . . . 0.0 111.076 177.345 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -76.1 4.76 7.86 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 120.522 -1.361 . . . . 0.0 114.422 179.012 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.63 20.29 3.33 Favored 'General case' 0 N--CA 1.463 0.223 0 O-C-N 120.441 -1.412 . . . . 0.0 111.811 176.745 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.629 HG11 HG21 ' A' ' 18' ' ' THR . 4.3 p -125.12 -40.24 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 124.297 1.039 . . . . 0.0 112.216 176.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.48 ' CZ ' HG22 ' A' ' 18' ' ' THR . 24.0 m-85 -68.85 -27.5 65.88 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 124.381 1.072 . . . . 0.0 113.053 173.379 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -55.41 -31.61 61.99 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.096 1.358 . . . . 0.0 113.068 176.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -79.42 -49.91 11.62 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.054 0.942 . . . . 0.0 110.671 179.477 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -61.54 -41.8 97.88 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.66 1.184 . . . . 0.0 112.552 178.318 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.07 -49.64 76.22 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 123.982 0.913 . . . . 0.0 111.645 177.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -67.99 -19.38 64.93 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 177.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -82.95 -29.57 28.98 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 119.176 0.898 . . . . 0.0 113.241 173.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 54.3 m-80 -78.94 -33.89 44.97 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 168.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.0 4.21 24.33 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 128.728 3.061 . . . . 0.0 114.54 171.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 39.3 t -80.5 145.58 8.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.011 0.924 . . . . 0.0 110.645 174.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -162.56 52.09 0.19 Allowed 'General case' 0 CA--C 1.552 1.044 0 CA-C-O 122.51 1.148 . . . . 0.0 112.425 169.117 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.88 -147.48 3.1 Favored Glycine 0 CA--C 1.545 1.916 0 C-N-CA 126.16 1.838 . . . . 0.0 116.282 177.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -72.63 98.5 2.36 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.739 1.215 . . . . 0.0 112.491 -178.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 85.1 m95 -64.04 121.06 13.23 Favored 'General case' 0 N--CA 1.466 0.332 0 O-C-N 120.294 -1.504 . . . . 0.0 110.337 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.33 161.66 31.85 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 126.858 2.063 . . . . 0.0 110.458 -172.255 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -156.59 165.84 35.13 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.617 1.167 . . . . 0.0 111.403 -178.011 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -137.56 158.9 43.39 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 126.218 1.807 . . . . 0.0 110.825 -178.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.407 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.3 OUTLIER -127.77 30.5 5.29 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 -179.225 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -131.51 -33.43 1.45 Allowed 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.558 1.943 . . . . 0.0 112.619 176.077 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.6 t -122.24 -3.47 8.98 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 127.595 2.358 . . . . 0.0 112.585 172.527 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.407 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 3.2 mmpt? 56.98 46.04 20.14 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.581 1.552 . . . . 0.0 112.688 168.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 53.4 m -120.64 110.13 16.05 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 125.803 1.641 . . . . 0.0 109.616 -170.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -64.44 161.99 16.02 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.083 0.953 . . . . 0.0 111.47 169.584 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 22.5 m -147.15 159.88 43.1 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 125.43 1.492 . . . . 0.0 108.278 170.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.434 ' CG1' HD23 ' A' ' 7' ' ' LEU . 12.6 p -149.84 82.64 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 C-N-CA 124.609 1.164 . . . . 0.0 111.189 174.769 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 33.1 m -80.6 108.99 14.7 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.578 0.751 . . . . 0.0 112.075 -174.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.68 140.09 58.83 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.603 0.761 . . . . 0.0 110.697 171.317 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -144.55 18.41 2.04 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 124.943 1.259 . . . . 0.0 114.892 -171.45 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 43.9 m -72.98 36.88 0.08 Allowed 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 126.454 1.902 . . . . 0.0 113.624 175.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.465 ' CG ' ' H ' ' A' ' 60' ' ' HIS 0.278 0.0 OUTLIER 32.78 -115.66 0.06 Allowed 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 128.317 2.647 . . . . 0.0 114.717 -175.278 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.465 ' H ' ' CG ' ' A' ' 59' ' ' HIS . 22.7 m80 -63.18 -22.91 67.17 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.495 1.918 . . . . 0.0 115.882 -173.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 37.1 m170 -67.63 126.63 29.95 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.775 0.83 . . . . 0.0 112.488 -169.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -135.05 -91.74 0.31 Allowed 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.38 1.072 . . . . 0.0 110.672 177.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 19.1 m170 -110.98 -5.48 14.83 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.653 1.581 . . . . 0.0 111.528 172.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 45.7 t60 -151.74 178.46 9.34 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 129.216 3.006 . . . . 0.0 108.079 169.436 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 25.4 ttt -62.86 -41.45 99.37 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.162 -0.961 . . . . 0.0 113.026 179.227 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -164.5 157.3 17.04 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.768 1.627 . . . . 0.0 111.084 173.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.11 168.31 21.93 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 126.878 2.071 . . . . 0.0 109.988 169.012 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -70.88 -45.28 64.67 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.794 1.238 . . . . 0.0 112.294 169.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.7 m -161.82 -174.71 4.3 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 128.056 2.542 . . . . 0.0 110.297 174.264 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 61.5 m -51.62 -40.99 74.88 Favored Pre-proline 0 CA--C 1.555 1.159 0 N-CA-C 117.671 2.471 . . . . 0.0 117.671 179.214 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -69.63 171.03 15.06 Favored 'Trans proline' 0 C--N 1.357 1.001 0 C-N-CA 122.347 2.031 . . . . 0.0 113.219 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.4 mp -59.11 -25.83 64.16 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.347 1.059 . . . . 0.0 112.83 178.285 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -158.44 151.51 22.68 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.577 1.951 . . . . 0.0 109.588 169.621 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 5.5 t -129.84 10.5 5.52 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.058 1.343 . . . . 0.0 112.946 178.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.0 mtmm -109.82 -176.97 3.14 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.571 1.548 . . . . 0.0 112.544 -170.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.607 ' HB ' HG13 ' A' ' 115' ' ' VAL . 6.7 t -133.44 157.34 42.46 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 C-N-CA 127.906 2.482 . . . . 0.0 109.501 -170.523 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -126.14 146.27 50.01 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 127.567 2.347 . . . . 0.0 110.405 -176.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.492 HG13 ' HB3' ' A' ' 113' ' ' ALA . 2.0 p -145.78 138.78 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-O 122.239 1.019 . . . . 0.0 111.561 169.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -151.21 -160.49 9.47 Favored Glycine 0 N--CA 1.467 0.705 0 C-N-CA 123.739 0.685 . . . . 0.0 112.65 169.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 13.3 m-20 53.29 43.76 31.04 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.564 1.145 . . . . 0.0 111.882 -169.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.6 tp -103.16 11.35 37.13 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 126.948 2.099 . . . . 0.0 111.895 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 79.93 -60.98 4.38 Favored Glycine 0 CA--C 1.528 0.878 0 C-N-CA 126.382 1.944 . . . . 0.0 114.042 171.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -158.25 -31.66 0.07 Allowed 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 114.829 1.418 . . . . 0.0 114.829 -178.022 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -65.69 153.15 42.5 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 120.526 1.512 . . . . 0.0 113.576 -170.079 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -161.96 50.69 0.33 Allowed Glycine 0 N--CA 1.47 0.942 0 C-N-CA 126.2 1.857 . . . . 0.0 111.46 -175.18 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -129.21 13.32 6.14 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.991 1.716 . . . . 0.0 113.045 -171.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.279 9.7 ptmm? 49.38 -21.31 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 131.547 3.939 . . . . 0.0 120.276 -177.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 82.8 m -49.67 -59.14 4.07 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 121.817 2.099 . . . . 0.0 113.935 -170.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.27 -55.52 17.95 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 -175.06 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.478 HD12 ' N ' ' A' ' 91' ' ' GLU . 3.3 pp -63.22 -34.39 77.54 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 123.432 0.458 . . . . 0.0 112.052 -174.205 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.478 ' N ' HD12 ' A' ' 90' ' ' LEU . 25.3 tt0 -65.03 -47.86 75.91 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 124.053 0.941 . . . . 0.0 111.311 179.462 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.84 -32.07 70.28 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 119.585 -0.846 . . . . 0.0 112.391 172.467 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.51 -44.3 96.7 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.819 0.848 . . . . 0.0 111.466 178.049 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.647 ' CZ ' HG11 ' A' ' 115' ' ' VAL . 12.0 m-85 -64.14 -66.47 0.54 Allowed 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 125.404 1.482 . . . . 0.0 111.277 172.776 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' A' ' 98' ' ' GLY . . . -52.87 -24.47 19.61 Favored Glycine 0 CA--C 1.547 2.08 0 N-CA-C 116.363 1.305 . . . . 0.0 116.363 -178.684 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -55.47 -51.49 66.77 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 126.208 1.803 . . . . 0.0 113.614 169.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -68.47 -42.01 79.32 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.141 0.576 . . . . 0.0 110.959 178.061 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.401 ' O ' ' HA2' ' A' ' 95' ' ' GLY . . . -167.25 161.01 34.84 Favored Glycine 0 N--CA 1.473 1.163 0 CA-C-O 118.38 -1.233 . . . . 0.0 113.633 175.303 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -71.18 131.82 19.94 Favored 'Trans proline' 0 CA--C 1.533 0.463 0 CA-C-N 121.666 2.733 . . . . 0.0 113.58 -170.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.415 ' HA ' ' HA ' ' A' ' 117' ' ' PHE . 21.9 mt -71.37 162.17 29.87 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.401 1.88 . . . . 0.0 113.115 175.11 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 28.6 ttp180 -121.67 -29.03 4.44 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 126.116 1.766 . . . . 0.0 111.95 169.314 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.9 m -157.71 156.86 32.42 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.966 1.306 . . . . 0.0 111.907 169.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 83.6 t -142.62 138.27 28.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 125.613 1.565 . . . . 0.0 108.515 172.341 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.408 ' HH2' HO2' ' B' ' 153' ' ' ' U' . 91.3 t90 -137.01 149.72 47.66 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 125.336 1.454 . . . . 0.0 110.582 178.125 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 14.3 m -143.79 155.46 15.99 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 C-N-CA 125.124 1.37 . . . . 0.0 108.627 174.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.83 45.07 0.58 Allowed 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 115.73 1.752 . . . . 0.0 115.73 -169.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 49.89 -21.46 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.504 1 C-N-CA 131.97 4.108 . . . . 0.0 121.367 171.648 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -150.52 128.0 5.61 Favored Pre-proline 0 CA--C 1.547 0.845 0 C-N-CA 126.146 1.778 . . . . 0.0 108.719 -175.266 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . 0.273 0.4 OUTLIER -15.7 81.18 0.0 OUTLIER 'Trans proline' 0 CA--C 1.549 1.272 1 C-N-CA 127.91 5.74 . . . . 0.0 119.798 -168.454 . . . . . . . . 4 3 . 1 . 006 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -99.51 -32.37 0.03 OUTLIER 'Trans proline' 0 CA--C 1.543 0.957 0 C-N-CA 124.515 3.477 . . . . 0.0 114.475 -175.324 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 67.96 28.78 73.34 Favored Glycine 0 CA--C 1.541 1.703 0 C-N-CA 124.693 1.14 . . . . 0.0 113.158 -169.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -158.69 144.63 16.77 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 127.442 2.297 . . . . 0.0 109.858 -168.782 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.492 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -165.87 176.47 7.86 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 124.789 1.235 . . . . 0.0 113.767 -168.705 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -137.33 167.52 21.43 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 124.023 0.929 . . . . 0.0 112.925 174.294 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.647 HG11 ' CZ ' ' A' ' 94' ' ' PHE . 0.2 OUTLIER -156.69 158.27 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 C-N-CA 124.952 1.301 . . . . 0.0 111.648 -168.794 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 65.2 tt0 -144.24 134.14 23.9 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.699 1.6 . . . . 0.0 108.689 168.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.415 ' HA ' ' HA ' ' A' ' 100' ' ' LEU . 63.6 m-85 -104.21 162.92 12.78 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.903 0.881 . . . . 0.0 112.1 176.258 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -61.33 -27.12 68.27 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 177.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -140.77 128.02 12.1 Favored Pre-proline 0 CA--C 1.546 0.805 0 C-N-CA 126.302 1.841 . . . . 0.0 108.768 -177.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -49.67 -26.03 12.34 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 C-N-CA 123.891 3.061 . . . . 0.0 114.974 170.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -75.86 -30.25 58.83 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.469 1.107 . . . . 0.0 112.874 172.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -68.68 -44.99 72.85 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 119.518 1.054 . . . . 0.0 109.914 168.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.24 -43.82 83.3 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 171.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.04 -48.22 82.39 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.793 0.724 . . . . 0.0 112.173 -179.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.7 -30.69 63.01 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 119.483 1.038 . . . . 0.0 112.916 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.37 -50.75 70.33 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.772 -0.58 . . . . 0.0 111.221 170.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.447 HG22 HG12 ' A' ' 142' ' ' VAL . 53.2 t -55.12 -44.28 73.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 125.257 1.423 . . . . 0.0 110.868 171.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 44.0 ttp85 -60.61 -31.1 70.28 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.207 1.403 . . . . 0.0 113.188 -178.192 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -103.39 -22.14 13.71 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 115.097 1.517 . . . . 0.0 115.097 177.061 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 47.9 mt -81.68 -42.46 19.9 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 119.254 0.934 . . . . 0.0 112.619 175.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -62.2 116.92 5.39 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 -169.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 72.98 45.46 32.51 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 126.097 1.808 . . . . 0.0 115.044 176.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -118.45 -68.47 0.91 Allowed 'General case' 0 N--CA 1.488 1.439 0 CA-C-N 119.549 1.675 . . . . 0.0 114.475 -173.535 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 7.7 m 147.48 139.6 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.308 1 C-N-CA 132.53 4.332 . . . . 0.0 108.526 -175.342 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 2.1 tp -169.47 145.71 3.26 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 104.06 -2.571 . . . . 0.0 104.06 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 52.5 t 59.34 -62.88 0.04 OUTLIER 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 127.222 2.209 . . . . 0.0 111.703 -167.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 162.14 42.75 0.02 OUTLIER Glycine 0 CA--C 1.529 0.933 0 C-N-CA 125.333 1.444 . . . . 0.0 113.948 169.21 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 26.8 t -125.02 -104.0 0.36 Allowed 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.992 1.317 . . . . 0.0 109.834 -175.449 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -143.44 -23.3 0.6 Allowed 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 115.982 1.845 . . . . 0.0 115.982 169.342 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . 0.287 0.3 OUTLIER 55.74 111.66 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 C-N-CA 130.43 3.492 . . . . 0.0 111.909 -179.732 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.43 139.66 50.6 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 106.488 -1.671 . . . . 0.0 106.488 175.158 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.447 HG12 HG22 ' A' ' 127' ' ' VAL . 54.6 t -141.45 136.42 32.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 C-N-CA 122.912 0.485 . . . . 0.0 109.749 -168.437 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -139.79 176.92 8.33 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.092 0.957 . . . . 0.0 111.108 -178.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 58.9 mt -82.98 143.53 30.59 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 120.564 -1.335 . . . . 0.0 108.407 167.261 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 44.7 t -57.67 112.11 1.35 Allowed 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.193 0.997 . . . . 0.0 110.033 175.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -144.79 -2.05 0.85 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.316 1.446 . . . . 0.0 111.899 -172.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -100.62 -6.86 52.24 Favored Glycine 0 CA--C 1.535 1.312 0 C-N-CA 125.065 1.317 . . . . 0.0 113.651 173.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -54.34 145.94 16.8 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 118.624 1.212 . . . . 0.0 111.196 169.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 23.2 mtmm 100.77 58.21 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 129.691 3.197 . . . . 0.0 111.853 172.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.115 0 C-N-CA 127.23 2.212 . . . . 0.0 112.344 -176.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 151' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.627 1 C2'-C3'-O3' 124.127 4.688 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 152' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.426 2 P-O3'-C3' 127.368 6.39 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 153' ' ' ' U' . . . . . 0.408 HO2' ' HH2' ' A' ' 104' ' ' TRP . . . . . . . . 0 C5'--C4' 1.55 3.05 1 N19-C1'-C2' 124.693 7.058 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear build full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.435 1 O4'-C1'-N19 113.845 5.645 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.484 1.244 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -87.85 138.58 31.34 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 120.752 -1.218 . . . . 0.0 111.543 176.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.435 ' CD2' ' HB3' ' A' ' 20' ' ' ALA . 96.3 m-85 -125.82 156.39 39.62 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 127.183 2.193 . . . . 0.0 108.771 -177.71 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -111.26 161.94 15.5 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.787 1.235 . . . . 0.0 111.703 -177.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.441 HD11 ' HG ' ' A' ' 7' ' ' LEU . 1.6 tm? -147.44 135.79 21.64 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.338 1.855 . . . . 0.0 110.731 176.192 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mp -116.09 122.95 70.74 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 C-N-CA 126.232 1.813 . . . . 0.0 111.467 175.034 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.441 ' HG ' HD11 ' A' ' 5' ' ' LEU . 3.4 mp -97.99 58.22 1.34 Allowed 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 128.935 2.894 . . . . 0.0 110.877 -177.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -64.47 104.12 0.75 Allowed 'General case' 0 CA--C 1.545 0.768 0 O-C-N 120.59 -1.319 . . . . 0.0 112.715 -176.421 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -159.25 138.86 5.86 Favored Glycine 0 N--CA 1.47 0.961 0 O-C-N 121.189 -0.945 . . . . 0.0 112.76 173.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -50.87 -38.17 47.74 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.371 1.468 . . . . 0.0 114.659 -170.016 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.0 m -87.97 -28.35 21.51 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -177.524 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.2 pp -120.69 -15.1 8.48 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 117.796 2.517 . . . . 0.0 117.796 -166.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -16.94 130.13 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 128.504 2.722 . . . . 0.0 118.344 -167.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -177.39 -161.64 26.22 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 117.204 1.642 . . . . 0.0 117.204 169.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -158.58 158.3 33.64 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 126.694 1.997 . . . . 0.0 111.787 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.8 t -154.79 -175.51 5.46 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.975 1.71 . . . . 0.0 109.833 176.168 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 74.7 p -141.49 173.57 11.37 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.406 1.482 . . . . 0.0 110.573 174.178 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.595 HG21 HG11 ' A' ' 29' ' ' VAL . 5.1 t -157.9 150.47 22.56 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 121.197 -0.939 . . . . 0.0 111.046 177.135 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -81.22 121.39 26.09 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 167.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.641 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -143.4 173.19 11.83 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 126.225 1.81 . . . . 0.0 112.802 -176.491 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.2 t -79.3 -46.29 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 O-C-N 120.932 -1.105 . . . . 0.0 110.087 169.437 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.9 t70 177.52 -158.19 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 129.898 3.279 . . . . 0.0 106.626 -176.658 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.56 -20.62 3.1 Favored 'General case' 0 CA--C 1.547 0.84 0 O-C-N 119.981 -1.7 . . . . 0.0 113.933 169.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.73 -6.22 10.98 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.991 1.316 . . . . 0.0 113.78 173.034 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.641 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 23.3 m -140.09 -37.76 0.47 Allowed 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 126.098 1.759 . . . . 0.0 112.357 179.395 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.452 ' HA ' HG12 ' A' ' 29' ' ' VAL . . . -68.01 -37.55 81.57 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.037 1.335 . . . . 0.0 110.695 176.723 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.421 ' HG3' ' HE3' ' A' ' 31' ' ' LYS . 0.8 OUTLIER -74.95 5.63 4.94 Favored 'General case' 0 CA--C 1.552 1.048 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 178.236 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.51 11.62 4.1 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 125.724 1.61 . . . . 0.0 112.949 173.319 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.595 HG11 HG21 ' A' ' 18' ' ' THR . 4.9 p -118.48 -39.98 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 C-N-CA 124.254 1.021 . . . . 0.0 112.605 175.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.42 ' CZ ' HG22 ' A' ' 18' ' ' THR . 21.7 m-85 -65.87 -31.08 71.82 Favored 'General case' 0 C--O 1.224 -0.245 0 C-N-CA 123.882 0.873 . . . . 0.0 112.225 172.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.433 ' HD3' ' CZ2' ' A' ' 43' ' ' TRP . 11.8 mmtt -56.98 -28.47 62.36 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.162 0.985 . . . . 0.0 112.937 177.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -81.15 -49.89 10.28 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 118.45 0.568 . . . . 0.0 111.497 176.165 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -61.22 -40.78 95.27 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.453 1.101 . . . . 0.0 111.683 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.75 -49.43 76.61 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 125.539 1.536 . . . . 0.0 111.903 175.268 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -63.25 -25.01 68.13 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 177.29 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -80.33 -28.39 38.17 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 177.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 51.2 m-80 -80.45 -32.07 37.32 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 168.118 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.32 -0.97 18.86 Favored Glycine 0 CA--C 1.532 1.131 0 C-N-CA 128.689 3.043 . . . . 0.0 114.448 170.362 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.1 p -74.06 155.56 6.62 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 CA-C-N 118.477 1.138 . . . . 0.0 112.034 178.169 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -164.03 30.31 0.08 Allowed 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 125.874 1.67 . . . . 0.0 110.314 169.566 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.23 -154.45 0.01 OUTLIER Glycine 0 CA--C 1.546 2.0 0 C-N-CA 128.696 3.046 . . . . 0.0 118.21 178.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -66.77 90.59 0.17 Allowed 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.95 1.3 . . . . 0.0 111.85 -178.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.433 ' CZ2' ' HD3' ' A' ' 31' ' ' LYS . 78.7 m95 -65.79 110.08 2.69 Favored 'General case' 0 C--O 1.236 0.342 0 O-C-N 120.354 -1.466 . . . . 0.0 110.215 -178.244 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.93 162.28 25.57 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 126.294 1.838 . . . . 0.0 110.905 -171.495 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -151.86 164.21 37.57 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.498 1.119 . . . . 0.0 111.735 177.389 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -140.5 156.49 46.32 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.843 2.057 . . . . 0.0 109.854 -174.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.431 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.3 OUTLIER -126.86 1.02 6.67 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 -178.21 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -87.69 -30.05 20.66 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.443 1.097 . . . . 0.0 110.283 169.436 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.5 -8.76 4.13 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 -176.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.431 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 1.3 mmpt? 59.93 48.01 9.29 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.852 1.661 . . . . 0.0 112.475 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 73.2 m -120.57 113.75 20.72 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.076 0.951 . . . . 0.0 111.513 -174.466 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -66.86 160.88 25.14 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-O 122.275 1.036 . . . . 0.0 110.915 168.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.4 m -145.75 160.45 41.71 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.537 1.535 . . . . 0.0 107.96 169.366 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.1 p -151.29 68.98 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 C-N-CA 125.671 1.588 . . . . 0.0 110.572 -177.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.5 m -68.59 109.95 4.0 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.035 -1.041 . . . . 0.0 111.832 -177.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.23 152.39 43.37 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 -178.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -172.44 43.97 0.17 Allowed Glycine 0 CA--C 1.538 1.476 0 C-N-CA 127.31 2.386 . . . . 0.0 112.14 176.654 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 47.6 p 57.55 32.79 22.36 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 127.111 2.164 . . . . 0.0 114.196 -169.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -63.14 -31.43 72.57 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 115.95 1.833 . . . . 0.0 115.95 -169.164 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.587 ' CG ' ' H ' ' A' ' 61' ' ' HIS . 6.5 t-80 -149.02 -156.83 0.76 Allowed 'General case' 0 CA--C 1.555 1.151 0 CA-C-N 119.89 1.223 . . . . 0.0 113.665 -173.139 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.587 ' H ' ' CG ' ' A' ' 60' ' ' HIS . 6.9 p80 -29.5 -34.78 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 131.413 3.885 . . . . 0.0 120.038 -169.205 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.8 p80 -70.7 45.74 0.09 Allowed 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 126.615 1.966 . . . . 0.0 113.278 171.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -152.01 28.52 0.6 Allowed 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 126.513 1.925 . . . . 0.0 112.184 -170.364 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 39.8 m80 -96.71 132.14 42.68 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 120.533 -1.354 . . . . 0.0 112.326 -177.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 27.4 ptt? -72.05 0.53 9.25 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 126.552 1.941 . . . . 0.0 115.879 -178.128 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 50.4 m-70 -71.97 75.72 0.91 Allowed 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.08 1.752 . . . . 0.0 113.593 -172.091 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.06 13.47 0.54 Allowed 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 127.284 2.234 . . . . 0.0 115.641 -172.733 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -60.99 -73.27 0.1 Allowed 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 124.535 1.134 . . . . 0.0 112.818 177.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.5 t -163.93 179.23 7.16 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 125.971 1.708 . . . . 0.0 111.07 170.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 10.8 t -146.66 70.43 12.54 Favored Pre-proline 0 CA--C 1.55 0.957 0 O-C-N 120.769 -1.207 . . . . 0.0 112.188 171.493 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -70.65 11.89 0.46 Allowed 'Trans proline' 0 CA--C 1.548 1.186 0 C-N-CA 124.401 3.401 . . . . 0.0 114.585 -179.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 30.6 tp -82.56 -12.38 57.77 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.121 1.368 . . . . 0.0 112.099 169.215 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -144.32 171.41 14.36 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.326 1.45 . . . . 0.0 111.733 -177.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 7.6 p -145.17 -6.49 0.65 Allowed 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 127.341 2.257 . . . . 0.0 114.101 -169.479 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.4 mttp -65.2 130.06 41.97 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-N 119.295 0.952 . . . . 0.0 110.108 169.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.606 ' HB ' HG13 ' A' ' 115' ' ' VAL . 23.5 t -124.4 142.83 39.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 124.314 1.046 . . . . 0.0 110.01 -176.394 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -101.09 148.63 24.84 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 127.162 2.185 . . . . 0.0 109.859 170.387 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.466 HG13 ' HB3' ' A' ' 113' ' ' ALA . 1.1 p -148.29 144.41 18.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 O-C-N 121.409 -0.807 . . . . 0.0 111.704 171.049 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -170.74 -171.71 36.33 Favored Glycine 0 N--CA 1.47 0.903 0 N-CA-C 117.302 1.681 . . . . 0.0 117.302 173.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.2 t30 63.31 1.09 0.89 Allowed 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 127.827 2.451 . . . . 0.0 117.04 171.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.4 pp -63.4 7.5 0.1 Allowed 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 127.099 2.16 . . . . 0.0 115.369 169.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 108.07 -173.38 18.11 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 126.809 2.147 . . . . 0.0 111.773 -172.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -86.67 28.53 0.87 Allowed 'General case' 0 CA--C 1.549 0.913 0 O-C-N 121.482 -1.011 . . . . 0.0 113.043 170.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -75.19 58.55 0.93 Allowed 'General case' 0 CA--C 1.546 0.802 0 O-C-N 120.842 -1.161 . . . . 0.0 110.738 169.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -76.52 62.53 3.1 Favored Glycine 0 CA--C 1.528 0.846 0 C-N-CA 126.688 2.09 . . . . 0.0 112.821 -178.172 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -144.88 131.56 19.99 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 127.202 2.201 . . . . 0.0 107.438 179.026 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.48 -12.03 61.32 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 -170.56 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 85.6 m -52.13 -57.95 8.05 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 121.051 1.75 . . . . 0.0 114.981 -169.377 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -74.63 -46.03 40.93 Favored 'General case' 0 C--N 1.344 0.331 0 CA-C-N 119.817 1.19 . . . . 0.0 111.081 -178.116 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.404 HD12 ' N ' ' A' ' 91' ' ' GLU 0.262 3.0 pp -60.24 -35.27 75.1 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 119.844 1.202 . . . . 0.0 112.114 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.404 ' N ' HD12 ' A' ' 90' ' ' LEU . 44.3 tt0 -58.22 -52.87 63.78 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.397 1.079 . . . . 0.0 112.174 170.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.28 -37.17 86.55 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 119.742 1.155 . . . . 0.0 111.9 176.27 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.57 -43.6 93.35 Favored 'General case' 0 C--O 1.223 -0.328 0 C-N-CA 124.473 1.109 . . . . 0.0 111.678 -179.005 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.641 ' CZ ' HG11 ' A' ' 115' ' ' VAL . 9.7 m-85 -66.91 -63.86 0.97 Allowed 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 125.24 1.416 . . . . 0.0 111.758 173.699 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -57.23 -22.32 43.26 Favored Glycine 0 CA--C 1.545 1.958 0 N-CA-C 115.423 0.929 . . . . 0.0 115.423 -178.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -53.69 -52.07 61.21 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.732 1.613 . . . . 0.0 112.659 169.046 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -67.02 -46.29 74.93 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.285 0.634 . . . . 0.0 110.564 177.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -165.09 151.01 19.62 Favored Glycine 0 N--CA 1.473 1.117 0 CA-C-O 118.418 -1.212 . . . . 0.0 112.796 176.004 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -63.77 123.85 12.66 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 CA-C-N 120.894 2.347 . . . . 0.0 112.844 -169.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.428 HD13 ' CG2' ' A' ' 103' ' ' VAL . 18.3 mt -60.52 157.2 14.66 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 125.062 1.345 . . . . 0.0 112.857 173.609 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -118.72 -21.71 7.75 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.601 1.161 . . . . 0.0 112.303 169.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.0 m -160.97 150.17 16.77 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.295 1.838 . . . . 0.0 111.415 168.463 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.428 ' CG2' HD13 ' A' ' 100' ' ' LEU . 99.2 t -138.8 141.62 36.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 126.244 1.818 . . . . 0.0 108.499 173.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 87.4 t90 -146.46 142.57 28.25 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 124.546 1.139 . . . . 0.0 111.395 -173.242 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.426 HG12 ' HB1' ' A' ' 113' ' ' ALA . 1.9 m -138.21 142.32 35.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 N-CA-C 106.375 -1.713 . . . . 0.0 106.375 168.47 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -57.11 149.09 20.18 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 116.718 2.118 . . . . 0.0 116.718 -167.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.47 9.22 1.43 Allowed 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 125.671 1.588 . . . . 0.0 115.034 175.683 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -133.26 146.03 59.19 Favored Pre-proline 0 CA--C 1.545 0.773 0 C-N-CA 127.541 2.337 . . . . 0.0 108.446 175.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -12.93 79.9 0.0 OUTLIER 'Trans proline' 0 CA--C 1.546 1.097 1 C-N-CA 128.186 5.924 . . . . 0.0 117.165 -169.442 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -72.23 172.46 14.81 Favored 'Trans proline' 0 CA--C 1.542 0.881 0 C-N-CA 123.34 2.694 . . . . 0.0 115.294 -168.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 149.17 -24.8 1.26 Allowed Glycine 0 CA--C 1.54 1.619 0 C-N-CA 128.103 2.764 . . . . 0.0 110.212 -169.038 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -102.63 143.56 32.15 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 129.448 3.099 . . . . 0.0 106.118 168.261 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.466 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -161.05 177.34 10.41 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 115.531 1.678 . . . . 0.0 115.531 -166.048 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -145.42 169.09 19.01 Favored 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 178.204 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.641 HG11 ' CZ ' ' A' ' 94' ' ' PHE . 0.2 OUTLIER -157.36 153.53 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 125.926 1.691 . . . . 0.0 111.037 -171.398 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -138.39 122.97 18.54 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.758 1.623 . . . . 0.0 108.922 169.217 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -98.84 -10.65 22.65 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.259 1.024 . . . . 0.0 113.279 175.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 65.46 -40.1 0.3 Allowed 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 128.42 2.688 . . . . 0.0 114.696 -177.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -91.47 127.3 51.28 Favored Pre-proline 0 CA--C 1.549 0.912 0 C-N-CA 125.322 1.449 . . . . 0.0 110.595 174.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo -62.96 -31.42 77.0 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.117 2.545 . . . . 0.0 115.523 -179.285 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.4 -40.98 73.59 Favored 'General case' 0 N--CA 1.481 1.119 0 CA-C-N 120.776 1.625 . . . . 0.0 111.372 176.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -60.82 -49.19 78.46 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 122.668 0.387 . . . . 0.0 110.137 178.504 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.14 -40.52 96.34 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 171.452 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.431 ' HA ' HG12 ' A' ' 127' ' ' VAL . . . -58.77 -43.74 90.46 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 120.295 1.407 . . . . 0.0 112.326 -179.16 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -71.63 -35.77 70.52 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.338 -0.851 . . . . 0.0 111.201 176.11 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -74.64 1.27 12.59 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 172.236 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.431 HG12 ' HA ' ' A' ' 124' ' ' ALA . 0.4 OUTLIER -129.16 -1.9 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 O-C-N 120.179 -1.576 . . . . 0.0 112.389 178.228 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -122.09 4.6 9.83 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.961 1.705 . . . . 0.0 113.519 169.569 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -126.22 -30.01 2.95 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.411 1.085 . . . . 0.0 113.13 169.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 73.1 mt -76.11 -46.33 29.38 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 120.475 1.489 . . . . 0.0 111.21 168.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . 0.265 47.8 p30 11.64 -34.95 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.417 2 C-N-CA 135.14 5.376 . . . . 0.0 122.576 -170.415 . . . . . . . . 3 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 167.26 25.68 0.02 OUTLIER Glycine 0 CA--C 1.536 1.348 0 C-N-CA 126.47 1.986 . . . . 0.0 114.393 177.545 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 34.9 mtt180 -78.42 -75.11 0.24 Allowed 'General case' 0 N--CA 1.482 1.125 0 CA-C-N 118.92 1.36 . . . . 0.0 112.712 -169.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 2.3 m -171.32 140.86 1.5 Allowed 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 127.907 2.483 . . . . 0.0 106.936 175.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 9.0 tp -165.22 141.42 5.52 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 105.338 -2.097 . . . . 0.0 105.338 -178.099 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 58.3 m 59.6 -48.74 0.08 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 127.383 2.273 . . . . 0.0 113.927 -168.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 150.98 31.85 0.04 OUTLIER Glycine 0 CA--C 1.529 0.952 0 C-N-CA 125.259 1.409 . . . . 0.0 115.726 168.46 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -139.42 178.92 6.85 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.247 1.019 . . . . 0.0 111.383 176.351 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.34 90.3 0.7 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.359 1.464 . . . . 0.0 108.6 176.717 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 9.1 p -75.41 165.59 3.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 124.179 0.991 . . . . 0.0 109.391 -175.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.486 HH11 ' HG2' ' A' ' 141' ' ' ARG . 0.0 OUTLIER -136.07 131.43 34.86 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 127.669 2.388 . . . . 0.0 106.181 169.742 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 61.6 t -138.31 109.96 5.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 169.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -122.07 155.27 36.02 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 120.98 -1.075 . . . . 0.0 110.356 -169.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 7.0 tt -74.11 131.28 41.15 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 120.417 -1.427 . . . . 0.0 107.614 169.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 24.0 t -55.38 154.06 6.6 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 -168.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 53.13 54.62 10.05 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 126.112 1.765 . . . . 0.0 112.926 175.081 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 84.66 1.74 88.99 Favored Glycine 0 CA--C 1.536 1.377 0 N-CA-C 116.286 1.275 . . . . 0.0 116.286 169.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 58.48 -46.5 0.06 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 128.802 2.841 . . . . 0.0 117.115 -173.449 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 18.2 mmtm -114.56 116.45 28.8 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 120.012 1.278 . . . . 0.0 109.678 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.037 0 C-N-CA 127.681 2.392 . . . . 0.0 110.028 -173.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 151' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.351 0 C3'-C2'-C1' 104.642 3.491 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 152' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.276 2 C4'-C3'-C2' 97.258 -5.442 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.225 5 N19-C1'-C2' 125.124 7.327 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.382 1 O4'-C1'-N19 114.198 5.998 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.484 1.271 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -86.15 141.25 29.51 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 120.837 -1.164 . . . . 0.0 111.38 173.354 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.42 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 94.3 m-85 -125.47 153.47 43.49 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 127.504 2.322 . . . . 0.0 108.422 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -106.6 162.89 13.35 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.792 1.237 . . . . 0.0 111.22 179.255 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.523 HD11 ' HG ' ' A' ' 7' ' ' LEU . 1.3 tm? -145.65 138.07 25.67 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.741 2.016 . . . . 0.0 110.339 174.65 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.4 mp -114.94 131.48 67.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 126.427 1.891 . . . . 0.0 110.275 173.349 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.523 ' HG ' HD11 ' A' ' 5' ' ' LEU . 3.2 mp -106.88 58.83 0.63 Allowed 'General case' 0 C--O 1.222 -0.392 0 C-N-CA 127.132 2.173 . . . . 0.0 110.389 -176.445 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -62.72 75.58 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.018 0 O-C-N 120.906 -1.122 . . . . 0.0 113.076 174.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.51 -177.86 35.37 Favored Glycine 0 CA--C 1.537 1.458 0 O-C-N 120.136 -1.602 . . . . 0.0 113.834 177.209 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.95 -47.71 79.36 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 121.611 -0.935 . . . . 0.0 112.662 -171.103 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.4 p -126.01 -15.22 5.9 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.345 1.458 . . . . 0.0 112.754 -179.024 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.455 ' C ' ' HE3' ' A' ' 13' ' ' LYS . 1.5 pt? -116.6 158.68 23.31 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 127.721 2.408 . . . . 0.0 108.435 178.729 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.455 ' HE3' ' C ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -158.65 156.41 29.94 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 174.759 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -166.05 -161.61 15.5 Favored Glycine 0 CA--C 1.533 1.211 0 N-CA-C 116.562 1.385 . . . . 0.0 116.562 169.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -148.66 163.15 38.16 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.671 1.588 . . . . 0.0 112.101 -179.259 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.6 t -159.71 -176.56 5.8 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 126.066 1.746 . . . . 0.0 110.764 169.06 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 72.6 p -142.34 169.34 17.77 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 126.208 1.803 . . . . 0.0 110.696 173.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.2 t -157.38 150.33 23.42 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 121.357 -0.84 . . . . 0.0 111.551 172.105 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -76.59 118.75 19.55 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 167.245 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -138.35 175.9 9.17 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.887 1.675 . . . . 0.0 111.997 178.412 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.9 p -80.19 -40.16 19.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 O-C-N 121.1 -1.0 . . . . 0.0 111.056 169.352 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.42 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 3.8 t70 172.16 -160.01 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 131.405 3.882 . . . . 0.0 106.929 -177.545 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.75 -22.2 2.0 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 120.233 -1.542 . . . . 0.0 114.424 170.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.34 -4.85 15.9 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 121.019 -1.05 . . . . 0.0 113.567 174.108 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.1 m -137.06 -36.93 0.66 Allowed 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.734 1.614 . . . . 0.0 112.32 172.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.2 -38.48 90.61 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.781 1.232 . . . . 0.0 110.913 176.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -73.67 2.77 7.45 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 178.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.89 19.03 4.15 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 120.48 -1.387 . . . . 0.0 111.878 174.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.5 t -120.74 -51.83 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 125.449 1.5 . . . . 0.0 109.995 177.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -61.27 -27.55 68.55 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 123.846 0.858 . . . . 0.0 113.014 176.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -56.09 -29.63 60.86 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.662 1.185 . . . . 0.0 113.197 175.468 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -84.78 -49.4 8.48 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.595 0.758 . . . . 0.0 110.732 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -63.37 -40.36 97.05 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.965 0.906 . . . . 0.0 112.033 179.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.12 -49.35 78.0 Favored 'General case' 0 N--CA 1.453 -0.311 0 O-C-N 121.306 -0.871 . . . . 0.0 111.845 177.137 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -65.18 -21.23 66.74 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 174.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -79.91 -30.26 40.02 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 119.515 1.052 . . . . 0.0 112.934 174.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -77.18 -35.33 55.96 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 167.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 119.82 -3.99 13.08 Favored Glycine 0 N--CA 1.438 -1.194 0 C-N-CA 128.925 3.155 . . . . 0.0 114.06 171.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.0 t -74.4 141.93 15.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 CA-C-N 118.857 1.329 . . . . 0.0 111.108 177.041 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -161.33 52.59 0.26 Allowed 'General case' 0 CA--C 1.544 0.749 0 CA-C-O 122.672 1.225 . . . . 0.0 112.383 169.326 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.26 -151.93 7.58 Favored Glycine 0 CA--C 1.539 1.545 0 C-N-CA 125.601 1.572 . . . . 0.0 115.425 177.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -68.04 113.23 5.55 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.016 1.327 . . . . 0.0 111.051 176.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 80.4 m95 -77.71 138.25 38.94 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 121.101 -1.0 . . . . 0.0 110.739 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -143.43 161.9 37.18 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 126.517 1.927 . . . . 0.0 110.491 -170.552 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -158.02 168.26 27.61 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.087 1.355 . . . . 0.0 111.439 -177.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -141.2 165.51 27.34 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.272 1.429 . . . . 0.0 112.094 173.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.447 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 28.9 t70 -124.37 1.04 8.37 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 -177.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -98.95 -32.13 11.47 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.456 1.502 . . . . 0.0 111.482 171.177 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.1 t -123.77 -1.91 8.37 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.381 1.073 . . . . 0.0 113.406 178.192 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.447 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 2.3 mmpt? 53.76 42.06 31.89 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.963 1.305 . . . . 0.0 112.919 169.147 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.8 m -118.72 109.89 16.62 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 125.836 1.654 . . . . 0.0 109.395 -171.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -64.18 164.04 11.6 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 122.489 1.138 . . . . 0.0 111.643 169.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.2 m -147.41 156.86 43.28 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 125.257 1.423 . . . . 0.0 107.722 169.357 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 15.0 p -141.53 109.48 2.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 126.378 1.871 . . . . 0.0 107.888 170.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 64.9 m -113.46 111.63 22.26 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.193 0.597 . . . . 0.0 110.626 -170.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.94 61.7 1.52 Allowed 'General case' 0 CA--C 1.547 0.859 0 CA-C-O 122.513 1.149 . . . . 0.0 112.326 176.059 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -109.46 38.47 3.31 Favored Glycine 0 CA--C 1.535 1.338 0 C-N-CA 127.303 2.382 . . . . 0.0 110.844 170.017 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.9 t -56.16 156.53 5.51 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.716 1.207 . . . . 0.0 113.754 -173.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.2 p-80 -156.12 80.94 0.99 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.899 1.28 . . . . 0.0 111.928 -169.003 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 42.9 p-80 -137.33 45.07 2.23 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.764 1.626 . . . . 0.0 111.339 -175.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 72.49 -29.16 0.19 Allowed 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 128.393 2.677 . . . . 0.0 112.123 -168.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -109.89 154.25 23.33 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 129.392 3.077 . . . . 0.0 106.117 167.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -120.5 25.76 9.58 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -168.265 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -139.22 142.44 37.86 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -172.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 90.5 mmm -115.69 -20.43 10.11 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 126.365 1.866 . . . . 0.0 111.976 172.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -135.35 172.31 13.19 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 127.445 2.298 . . . . 0.0 108.852 169.232 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.7 tpp180 -133.87 103.5 5.87 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 121.079 -1.013 . . . . 0.0 111.421 -174.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -63.08 -26.49 68.86 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.844 1.258 . . . . 0.0 114.285 179.094 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.8 t 49.03 33.94 5.16 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.478 1.511 . . . . 0.0 113.783 -177.697 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 7.9 t -129.77 65.69 75.59 Favored Pre-proline 0 CA--C 1.551 0.987 0 C-N-CA 125.484 1.514 . . . . 0.0 112.381 -170.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -65.67 105.26 0.75 Allowed 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 123.283 2.655 . . . . 0.0 110.222 170.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 79.6 mt -68.48 97.86 0.8 Allowed 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.264 1.426 . . . . 0.0 111.402 -175.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -151.96 162.32 41.25 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.807 1.243 . . . . 0.0 112.129 -172.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 3.9 p -134.88 -0.34 2.83 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 127.139 2.175 . . . . 0.0 113.606 -175.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.5 mttp -62.37 168.58 3.42 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.945 1.298 . . . . 0.0 111.892 169.299 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -126.14 140.68 47.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 C-N-CA 126.622 1.969 . . . . 0.0 108.885 173.391 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -91.34 148.16 22.53 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 126.565 1.946 . . . . 0.0 109.935 -178.237 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.569 HG13 ' HB3' ' A' ' 113' ' ' ALA . 0.7 OUTLIER -145.95 138.35 20.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.088 0.471 . . . . 0.0 111.419 171.11 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -160.55 -176.48 32.7 Favored Glycine 0 N--CA 1.476 1.314 0 N-CA-C 117.297 1.679 . . . . 0.0 117.297 177.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 31.7 m120 54.92 2.76 0.05 OUTLIER 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 130.965 3.706 . . . . 0.0 118.855 177.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.68 3.44 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 128.523 2.729 . . . . 0.0 117.617 171.159 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 115.02 173.11 17.65 Favored Glycine 0 N--CA 1.473 1.119 0 C-N-CA 125.984 1.754 . . . . 0.0 112.162 -179.056 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -70.55 58.28 0.19 Allowed 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 125.284 1.433 . . . . 0.0 114.775 -178.334 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -120.89 156.25 32.42 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.882 1.673 . . . . 0.0 111.744 -175.308 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -166.4 48.45 0.26 Allowed Glycine 0 CA--C 1.528 0.901 0 C-N-CA 125.924 1.725 . . . . 0.0 111.534 177.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -125.12 10.48 8.13 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.224 1.41 . . . . 0.0 112.837 -172.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.6 -21.28 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.447 1 C-N-CA 131.837 4.055 . . . . 0.0 121.186 172.067 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 57.9 m -57.75 -50.4 73.37 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 120.923 1.692 . . . . 0.0 114.595 -169.014 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 60.2 tt0 -70.69 -47.58 59.11 Favored 'General case' 0 C--N 1.341 0.233 0 CA-C-N 119.085 0.857 . . . . 0.0 110.559 -177.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.9 pp -60.93 -34.5 74.81 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 118.939 0.79 . . . . 0.0 112.045 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -59.75 -45.2 92.97 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 119.011 0.823 . . . . 0.0 112.515 172.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.86 -36.45 75.53 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 119.788 1.176 . . . . 0.0 112.736 172.182 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.5 -44.31 97.31 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 124.268 1.027 . . . . 0.0 111.543 -179.313 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.526 ' CE2' HG11 ' A' ' 115' ' ' VAL . 15.3 m-85 -69.35 -65.18 0.74 Allowed 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 125.022 1.329 . . . . 0.0 111.768 173.442 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.409 ' HA2' ' O ' ' A' ' 98' ' ' GLY . . . -52.97 -21.69 10.77 Favored Glycine 0 CA--C 1.546 2.007 0 N-CA-C 115.958 1.143 . . . . 0.0 115.958 -176.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -55.14 -50.73 68.52 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.123 1.769 . . . . 0.0 113.089 168.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -66.94 -40.86 87.68 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.822 0.849 . . . . 0.0 110.903 176.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.409 ' O ' ' HA2' ' A' ' 95' ' ' GLY . . . -176.77 166.75 37.75 Favored Glycine 0 N--CA 1.477 1.424 0 CA-C-O 118.485 -1.175 . . . . 0.0 114.575 169.328 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -67.18 130.07 21.9 Favored 'Trans proline' 0 CA--C 1.535 0.528 0 CA-C-N 121.599 2.699 . . . . 0.0 113.813 -169.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.574 HD13 ' CG2' ' A' ' 103' ' ' VAL . 18.9 mt -71.23 144.34 50.11 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.011 1.724 . . . . 0.0 112.187 174.568 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 45.0 ttm180 -94.85 -34.14 12.57 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.78 1.632 . . . . 0.0 111.165 169.263 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 88.0 p -153.86 154.76 34.49 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.491 1.116 . . . . 0.0 112.248 173.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.574 ' CG2' HD13 ' A' ' 100' ' ' LEU . 67.5 t -140.77 131.79 28.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 125.29 1.436 . . . . 0.0 108.635 172.221 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 76.1 t90 -139.96 148.91 42.62 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 125.713 1.605 . . . . 0.0 110.484 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.9 m -142.77 151.44 17.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 C-N-CA 125.96 1.704 . . . . 0.0 107.373 175.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.696 ' HB3' ' HG3' ' A' ' 110' ' ' PRO . . . -75.37 166.73 23.15 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 116.116 1.895 . . . . 0.0 116.116 -168.494 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 25.8 ttm105 -33.93 -55.4 0.48 Allowed 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 130.429 3.492 . . . . 0.0 116.955 -169.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -135.47 133.8 20.65 Favored Pre-proline 0 N--CA 1.475 0.801 0 CA-C-O 116.543 -1.694 . . . . 0.0 108.674 176.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -20.92 81.81 0.0 OUTLIER 'Trans proline' 0 CA--C 1.547 1.129 1 C-N-CA 127.994 5.796 . . . . 0.0 117.719 -169.721 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.696 ' HG3' ' HB3' ' A' ' 106' ' ' ALA . 27.8 Cg_endo -88.76 -24.86 0.74 Allowed 'Trans proline' 0 CA--C 1.539 0.739 0 C-N-CA 123.608 2.872 . . . . 0.0 114.041 -169.078 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 74.78 38.14 43.16 Favored Glycine 0 N--CA 1.47 0.951 0 C-N-CA 124.436 1.017 . . . . 0.0 111.808 -169.226 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -162.99 139.37 7.26 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.484 1.913 . . . . 0.0 109.067 -168.182 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.569 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -164.28 172.35 13.66 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 -167.03 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -147.26 146.17 29.68 Favored 'General case' 0 N--CA 1.482 1.128 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 175.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.526 HG11 ' CE2' ' A' ' 94' ' ' PHE . 18.1 m -141.49 170.26 13.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 124.259 1.024 . . . . 0.0 112.678 -175.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -144.85 148.8 34.39 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 120.97 -1.081 . . . . 0.0 109.719 168.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -113.05 158.75 19.92 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.348 1.459 . . . . 0.0 112.368 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -64.35 -41.81 96.56 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 177.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -110.5 126.1 29.53 Favored Pre-proline 0 CA--C 1.545 0.771 0 C-N-CA 124.786 1.234 . . . . 0.0 108.934 175.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -50.26 -25.65 13.9 Favored 'Trans proline' 0 CA--C 1.539 0.726 0 C-N-CA 123.541 2.827 . . . . 0.0 114.446 169.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.06 -28.18 62.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.164 0.986 . . . . 0.0 113.201 171.435 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -66.34 -45.43 80.25 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 119.715 1.143 . . . . 0.0 109.342 169.219 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.88 -37.41 82.05 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 118.716 -0.659 . . . . 0.0 112.18 172.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.73 -46.99 73.68 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 119.822 1.192 . . . . 0.0 112.754 175.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -56.01 -45.56 79.04 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 118.921 0.782 . . . . 0.0 110.964 171.607 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.42 -57.65 7.8 Favored 'General case' 0 C--O 1.221 -0.425 0 C-N-CA 123.333 0.653 . . . . 0.0 110.446 -178.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 41.7 t -53.76 -42.46 52.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 124.773 1.229 . . . . 0.0 112.184 178.008 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.11 -11.86 58.52 Favored 'General case' 0 N--CA 1.48 1.025 0 N-CA-C 114.336 1.235 . . . . 0.0 114.336 -176.273 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -112.76 -19.01 12.17 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 176.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 74.1 mt -89.67 -30.74 17.88 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.423 1.889 . . . . 0.0 112.541 169.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 13.8 p30 4.09 -48.24 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.395 1 C-N-CA 134.079 4.951 . . . . 0.0 120.167 -174.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 179.07 40.91 0.07 OUTLIER Glycine 0 CA--C 1.531 1.089 0 C-N-CA 129.148 3.261 . . . . 0.0 112.382 171.08 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 25.3 mmt85 -67.7 -84.05 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 125.231 1.412 . . . . 0.0 112.346 -174.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 3.3 m 177.62 140.38 0.08 Allowed 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 131.411 3.884 . . . . 0.0 105.51 178.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -167.77 141.1 3.34 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 105.538 -2.023 . . . . 0.0 105.538 -170.043 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 74.4 m 58.59 -29.26 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 127.019 2.128 . . . . 0.0 115.564 -169.092 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 144.88 2.65 0.73 Allowed Glycine 0 CA--C 1.529 0.911 0 C-N-CA 126.247 1.879 . . . . 0.0 115.67 169.299 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -128.39 177.85 6.68 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.742 1.217 . . . . 0.0 111.351 -177.698 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.74 90.71 1.87 Allowed 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.301 1.44 . . . . 0.0 109.529 -177.787 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 6.1 p -67.34 168.24 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 126.63 1.972 . . . . 0.0 109.159 177.082 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -156.58 126.6 6.42 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 126.956 2.102 . . . . 0.0 106.568 172.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 98.0 t -132.15 128.2 58.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 -174.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -140.42 178.14 7.52 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.822 0.849 . . . . 0.0 110.897 -169.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 20.3 tp -78.9 139.32 38.32 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 120.359 -1.463 . . . . 0.0 109.044 168.52 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 48.3 t -58.57 128.97 39.86 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.867 0.867 . . . . 0.0 111.252 175.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -153.58 12.06 0.45 Allowed 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 -170.245 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -64.3 150.7 50.6 Favored Glycine 0 CA--C 1.537 1.42 0 O-C-N 121.411 -0.806 . . . . 0.0 114.297 176.022 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -154.53 149.5 26.77 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.395 1.478 . . . . 0.0 111.519 172.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 38.2 mttp -148.28 88.23 1.64 Allowed 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.52 1.528 . . . . 0.0 111.279 173.568 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.254 1.315 0 C-N-CA 127.866 2.467 . . . . 0.0 111.577 178.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 151' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.647 0 C2'-C3'-O3' 120.465 3.38 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 152' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.236 1 P-O3'-C3' 127.263 6.303 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.867 1 O5'-C5'-C4' 117.702 5.358 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.42 2 P-O3'-C3' 126.387 5.572 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.483 1.204 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -88.95 140.07 29.81 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 119.636 1.107 . . . . 0.0 111.099 176.424 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.479 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 86.1 m-85 -126.1 157.81 37.08 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 127.277 2.231 . . . . 0.0 108.882 -177.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -114.42 163.2 15.66 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.733 1.213 . . . . 0.0 112.074 -176.12 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.517 HD22 ' N ' ' A' ' 6' ' ' ILE . 0.1 OUTLIER -149.63 127.88 12.1 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 126.296 1.838 . . . . 0.0 111.612 179.58 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.517 ' N ' HD22 ' A' ' 5' ' ' LEU . 1.4 mp -109.69 108.17 24.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 126.153 1.781 . . . . 0.0 110.831 176.066 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.455 HD23 ' CG1' ' A' ' 54' ' ' VAL . 16.2 mt -83.99 58.97 4.99 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 128.75 2.82 . . . . 0.0 111.734 176.38 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.417 ' HA ' ' HB2' ' A' ' 13' ' ' LYS . 4.4 t-20 -67.43 126.3 28.84 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 120.945 -1.097 . . . . 0.0 111.144 178.27 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -140.58 -173.27 13.33 Favored Glycine 0 CA--C 1.529 0.956 0 N-CA-C 117.723 1.849 . . . . 0.0 117.723 169.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -69.64 -48.14 60.92 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 127.925 2.49 . . . . 0.0 113.755 -170.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.5 m -119.33 -1.2 10.82 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 125.525 1.53 . . . . 0.0 111.085 -172.244 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -157.56 164.46 37.3 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 128.258 2.623 . . . . 0.0 110.201 -178.336 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.417 ' HB2' ' HA ' ' A' ' 8' ' ' ASN . 0.0 OUTLIER -166.16 159.08 14.89 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 124.812 1.245 . . . . 0.0 111.856 166.647 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -176.1 -161.78 25.84 Favored Glycine 0 CA--C 1.522 0.508 0 CA-C-N 114.647 -1.161 . . . . 0.0 115.458 168.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -156.82 155.55 31.72 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.414 1.086 . . . . 0.0 112.389 -174.412 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.9 t -151.42 -173.66 4.58 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.96 1.304 . . . . 0.0 109.704 174.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 66.9 p -142.06 173.38 11.57 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.299 1.44 . . . . 0.0 110.846 176.082 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.6 t -158.59 149.33 20.25 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 121.293 -0.879 . . . . 0.0 111.416 173.173 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 47.4 tp10 -75.06 118.23 17.78 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 107.002 -1.481 . . . . 0.0 107.002 167.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.421 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -137.22 176.91 8.28 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.616 1.567 . . . . 0.0 112.1 178.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 55.4 t -84.43 -38.82 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 O-C-N 121.546 -0.721 . . . . 0.0 111.629 171.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.479 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 2.4 t70 174.58 -156.61 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 130.819 3.648 . . . . 0.0 106.9 173.571 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.82 -21.01 2.51 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 120.468 -1.395 . . . . 0.0 113.616 169.34 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.55 -7.61 27.47 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.931 1.292 . . . . 0.0 113.814 173.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.421 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 49.8 m -135.48 -37.73 0.76 Allowed 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.84 1.656 . . . . 0.0 111.935 175.429 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.69 -39.66 94.87 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.177 1.391 . . . . 0.0 110.601 176.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -74.44 3.48 7.47 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 114.795 1.406 . . . . 0.0 114.795 178.052 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.34 18.45 4.42 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 120.368 -1.458 . . . . 0.0 111.821 173.215 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.5 t -119.87 -51.34 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 125.414 1.486 . . . . 0.0 109.777 177.168 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -61.75 -27.06 68.46 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 123.801 0.841 . . . . 0.0 112.66 177.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -56.18 -32.42 64.33 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.789 1.236 . . . . 0.0 113.202 175.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -81.36 -47.8 12.79 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.335 0.654 . . . . 0.0 110.788 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -66.23 -37.5 85.69 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.403 1.081 . . . . 0.0 112.101 179.28 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.38 -47.86 84.26 Favored 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 121.137 -0.977 . . . . 0.0 112.003 177.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 -67.02 -18.74 65.5 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 113.599 0.963 . . . . 0.0 113.599 175.45 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -80.91 -29.68 35.53 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.426 1.012 . . . . 0.0 113.127 171.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -77.42 -34.01 54.8 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.794 -0.566 . . . . 0.0 109.474 168.525 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.56 7.14 43.02 Favored Glycine 0 N--CA 1.44 -1.075 0 C-N-CA 127.989 2.709 . . . . 0.0 113.908 175.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.437 ' HB ' HD22 ' A' ' 7' ' ' LEU . 21.5 t -83.35 149.26 4.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-N 117.651 0.725 . . . . 0.0 110.117 170.584 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -160.69 46.1 0.21 Allowed 'General case' 0 CA--C 1.549 0.907 0 CA-C-O 122.922 1.344 . . . . 0.0 110.977 170.554 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.1 -151.32 0.84 Allowed Glycine 0 CA--C 1.539 1.591 0 C-N-CA 126.219 1.866 . . . . 0.0 117.641 178.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -68.45 93.01 0.46 Allowed 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 125.73 1.612 . . . . 0.0 112.431 -175.151 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 76.4 m95 -66.96 109.49 2.98 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 119.363 -2.085 . . . . 0.0 110.637 -174.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.6 m -128.0 160.59 31.45 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 127.116 2.167 . . . . 0.0 109.134 -170.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -149.08 163.07 38.61 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 126.098 1.759 . . . . 0.0 109.985 179.076 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -135.0 125.74 27.17 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 125.243 1.417 . . . . 0.0 108.437 171.247 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.491 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.8 OUTLIER -85.11 -7.64 59.0 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 -173.332 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -101.76 -28.65 12.33 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.304 1.442 . . . . 0.0 112.223 -177.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.8 t -113.37 1.85 15.26 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.656 0.783 . . . . 0.0 112.888 171.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.491 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 4.3 mmpt? 53.81 40.07 31.09 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 126.277 1.831 . . . . 0.0 112.869 169.723 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 57.6 m -124.58 112.9 17.36 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.852 1.261 . . . . 0.0 110.483 -169.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -67.31 158.52 31.36 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.847 1.259 . . . . 0.0 111.278 169.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 37.8 m -147.96 151.76 36.35 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.089 1.356 . . . . 0.0 107.71 169.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.455 ' CG1' HD23 ' A' ' 7' ' ' LEU 0.289 10.6 p -147.09 58.76 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 CA-C-O 123.272 1.51 . . . . 0.0 112.752 -171.803 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.6 m -57.75 102.02 0.09 Allowed 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 126.96 2.104 . . . . 0.0 114.295 -173.169 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -71.54 121.62 19.03 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 127.165 2.186 . . . . 0.0 114.229 -174.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 66.08 -64.41 0.14 Allowed Glycine 0 CA--C 1.533 1.2 0 C-N-CA 126.856 2.17 . . . . 0.0 115.505 169.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.7 p -39.97 -71.26 0.08 Allowed 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 128.723 2.809 . . . . 0.0 114.675 -179.01 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -91.38 -18.72 23.82 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 -176.544 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -57.02 -26.59 60.54 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.514 1.301 . . . . 0.0 114.514 -171.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 19.3 p-80 -60.67 -15.13 25.46 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.228 1.411 . . . . 0.0 113.985 173.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -125.87 11.44 7.76 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 127.817 2.447 . . . . 0.0 112.403 -175.466 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 21.0 t-160 -59.64 107.49 0.6 Allowed 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.383 -0.823 . . . . 0.0 111.211 177.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 18.0 p80 -67.68 13.84 0.07 Allowed 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 126.183 1.793 . . . . 0.0 115.426 -174.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 92.8 mmm -114.7 -19.42 11.08 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.492 1.917 . . . . 0.0 112.507 176.064 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . 0.255 4.1 p80 46.44 -22.82 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.028 1 C-N-CA 131.742 4.017 . . . . 0.0 121.119 174.155 . . . . . . . . 3 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 15.3 ttm105 -65.31 -11.56 42.96 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-N 121.565 1.984 . . . . 0.0 115.04 -173.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 -93.36 -8.48 41.78 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 127.822 2.449 . . . . 0.0 114.227 173.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 29.0 p -144.83 -0.18 0.93 Allowed 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 115.586 1.699 . . . . 0.0 115.586 -168.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 30.3 m -38.93 -54.13 3.28 Favored Pre-proline 0 CA--C 1.547 0.844 0 N-CA-C 116.283 1.957 . . . . 0.0 116.283 -177.647 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -69.38 -7.77 21.84 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 122.85 2.367 . . . . 0.0 115.388 -173.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 73.5 mt -79.27 66.34 4.69 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.602 1.561 . . . . 0.0 110.839 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -129.64 165.77 21.12 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 126.64 1.976 . . . . 0.0 112.167 -169.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 68.9 m -123.05 -7.12 8.35 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.967 2.107 . . . . 0.0 113.007 171.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.24 151.43 31.71 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 119.363 0.983 . . . . 0.0 109.188 168.107 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.3 t -120.55 128.36 76.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 C-N-CA 126.6 1.96 . . . . 0.0 108.162 178.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -85.76 143.86 28.09 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 124.221 1.008 . . . . 0.0 109.337 171.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.469 HG13 ' HB3' ' A' ' 113' ' ' ALA . 0.9 OUTLIER -149.67 138.4 15.0 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.276 0 CA-C-O 121.662 0.744 . . . . 0.0 112.45 175.498 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -133.38 140.73 12.07 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 108.479 -1.848 . . . . 0.0 108.479 167.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -163.36 151.18 13.2 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.002 1.321 . . . . 0.0 109.973 -168.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 50.1 tp 61.74 -52.87 0.13 Allowed 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 128.561 2.744 . . . . 0.0 114.726 -170.188 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.58 -21.22 39.57 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 125.839 1.685 . . . . 0.0 114.912 177.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -118.71 5.58 11.57 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 116.436 2.013 . . . . 0.0 116.436 -170.033 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -178.13 142.1 0.26 Allowed 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 126.192 1.797 . . . . 0.0 112.262 168.308 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -86.31 113.57 3.91 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 125.072 1.32 . . . . 0.0 110.818 168.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -136.17 135.07 38.87 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.967 1.307 . . . . 0.0 109.782 169.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.5 ptpt -77.35 -22.34 51.95 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 115.712 1.745 . . . . 0.0 115.712 -172.124 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 90.0 m -47.34 -62.43 1.43 Allowed 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 125.06 1.344 . . . . 0.0 113.495 -169.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.16 -55.76 16.8 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.27 -174.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.436 HD12 ' N ' ' A' ' 91' ' ' GLU . 3.5 pp -64.72 -34.45 78.35 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 120.251 -0.58 . . . . 0.0 111.732 -171.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.436 ' N ' HD12 ' A' ' 90' ' ' LEU . 30.0 tt0 -61.13 -49.98 75.08 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 119.551 1.069 . . . . 0.0 111.378 176.158 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.26 -34.25 77.57 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 118.983 -1.087 . . . . 0.0 111.866 174.008 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.21 -43.44 91.54 Favored 'General case' 0 C--O 1.222 -0.38 0 C-N-CA 123.905 0.882 . . . . 0.0 112.007 -178.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.498 ' CD2' HG11 ' A' ' 115' ' ' VAL . 18.0 m-85 -67.89 -63.65 1.02 Allowed 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 125.061 1.344 . . . . 0.0 111.078 174.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -56.08 -21.71 32.74 Favored Glycine 0 CA--C 1.546 2.021 0 N-CA-C 115.764 1.065 . . . . 0.0 115.764 -177.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -54.74 -51.16 66.52 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.854 1.662 . . . . 0.0 113.094 168.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -66.31 -40.84 90.24 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.197 0.599 . . . . 0.0 110.578 176.091 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -176.62 158.92 25.4 Favored Glycine 0 N--CA 1.479 1.523 0 CA-C-O 118.259 -1.301 . . . . 0.0 114.394 169.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -57.41 138.79 87.85 Favored 'Trans proline' 0 CA--C 1.536 0.614 0 CA-C-N 121.773 2.787 . . . . 0.0 115.877 -169.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.451 HD13 ' CG2' ' A' ' 103' ' ' VAL . 15.2 mt -83.89 158.23 21.69 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 126.199 1.799 . . . . 0.0 112.721 177.474 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 38.6 mtm-85 -109.31 -31.21 7.64 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 126.01 1.724 . . . . 0.0 112.118 169.001 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.5 t -155.55 149.64 25.64 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.241 1.017 . . . . 0.0 111.731 176.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.451 ' CG2' HD13 ' A' ' 100' ' ' LEU . 81.0 t -139.78 129.67 29.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 125.517 1.527 . . . . 0.0 108.791 172.401 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 79.4 t90 -136.17 150.58 49.1 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 126.054 1.742 . . . . 0.0 110.179 173.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 5.7 m -142.26 151.76 18.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 C-N-CA 123.699 0.799 . . . . 0.0 110.739 174.544 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -68.72 103.24 1.69 Allowed 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 121.623 0.725 . . . . 0.0 110.586 174.484 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 45.0 ptt85 -54.84 14.11 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 131.3 3.84 . . . . 0.0 117.021 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -126.82 -178.83 0.81 Allowed Pre-proline 0 CA--C 1.556 1.194 0 C-N-CA 128.845 2.858 . . . . 0.0 110.68 -168.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -55.44 -26.43 53.57 Favored 'Trans proline' 0 CA--C 1.548 1.206 0 C-N-CA 123.561 2.84 . . . . 0.0 117.787 173.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_exo -58.47 135.02 64.97 Favored 'Trans proline' 0 CA--C 1.54 0.818 0 CA-C-N 123.09 2.139 . . . . 0.0 113.485 169.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -95.78 63.24 1.31 Allowed Glycine 0 N--CA 1.473 1.16 0 C-N-CA 127.287 2.375 . . . . 0.0 109.636 179.408 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -141.42 150.68 42.66 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.472 1.909 . . . . 0.0 110.044 -167.704 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.469 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -165.76 174.02 10.1 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.921 1.288 . . . . 0.0 114.069 -168.276 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.412 ' CE1' ' C4 ' ' B' ' 152' ' ' ' A' . 95.3 m-85 -148.85 147.47 28.76 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 172.055 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.498 HG11 ' CD2' ' A' ' 94' ' ' PHE . 16.5 m -135.34 173.75 13.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 O-C-N 121.193 -0.942 . . . . 0.0 112.547 177.768 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -146.67 140.18 25.79 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.602 1.161 . . . . 0.0 108.599 169.254 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.453 ' HB2' ' HB2' ' A' ' 123' ' ' ALA . 35.5 m-85 -105.81 160.65 15.07 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.615 1.166 . . . . 0.0 113.078 -176.621 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -66.52 -27.11 67.51 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 173.548 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -141.12 123.58 9.53 Favored Pre-proline 0 CA--C 1.55 0.949 0 C-N-CA 124.331 1.053 . . . . 0.0 111.75 -173.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.74 -30.6 57.25 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 124.739 3.626 . . . . 0.0 115.456 176.131 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 23.2 ttp-105 -56.88 -48.52 77.97 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-N 119.799 1.181 . . . . 0.0 110.669 171.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -76.97 -34.66 57.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.858 -174.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.453 ' HB2' ' HB2' ' A' ' 117' ' ' PHE . . . -58.91 -47.03 86.43 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.342 0.657 . . . . 0.0 111.469 169.769 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.86 -49.69 69.54 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.55 0.74 . . . . 0.0 111.259 -179.02 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -70.43 -30.09 66.85 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 119.07 0.85 . . . . 0.0 112.974 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.21 -54.1 48.53 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 121.774 -0.579 . . . . 0.0 110.422 169.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 40.0 t -52.7 -42.45 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 124.779 1.232 . . . . 0.0 111.939 173.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -67.95 -23.35 65.05 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 127.195 2.198 . . . . 0.0 113.65 -179.178 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -106.1 -38.65 6.22 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.159 0.984 . . . . 0.0 113.42 178.132 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 32.6 mt -66.6 -40.19 88.76 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.724 1.61 . . . . 0.0 114.369 -177.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -58.08 142.82 45.74 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 115.923 1.823 . . . . 0.0 115.923 -169.035 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 74.13 -63.03 2.11 Favored Glycine 0 CA--C 1.531 1.087 0 C-N-CA 126.462 1.982 . . . . 0.0 116.992 169.497 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . 0.26 0.0 OUTLIER -74.36 38.57 0.11 Allowed 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 127.856 2.462 . . . . 0.0 117.452 -167.833 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 97.2 m 72.83 143.58 0.07 Allowed 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 127.008 2.123 . . . . 0.0 113.78 170.121 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 36.9 tp -142.6 -64.68 0.41 Allowed 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.355 0.662 . . . . 0.0 111.945 173.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 24.5 m -74.09 -27.43 60.89 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 119.307 0.958 . . . . 0.0 113.435 171.232 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 131.0 35.66 0.38 Allowed Glycine 0 CA--C 1.536 1.393 0 N-CA-C 117.032 1.573 . . . . 0.0 117.032 169.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 37.8 t -143.74 -75.99 0.24 Allowed 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 119.054 1.427 . . . . 0.0 109.093 178.41 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 70.0 mtp180 -148.23 162.56 39.22 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 127.64 2.376 . . . . 0.0 109.88 169.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 78.9 t -127.8 150.76 33.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 126.557 1.943 . . . . 0.0 109.219 169.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.65 97.18 2.59 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.612 1.565 . . . . 0.0 110.091 175.445 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 48.5 t -122.49 133.32 69.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 126.084 1.754 . . . . 0.0 110.678 -168.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -145.02 167.75 21.92 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.172 0.989 . . . . 0.0 111.713 -176.4 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 22.1 tp -79.94 139.09 37.2 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 167.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 3.5 m -64.45 120.22 11.87 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 -172.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -146.91 140.31 25.57 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.659 1.984 . . . . 0.0 110.559 171.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 150.1 177.48 24.14 Favored Glycine 0 CA--C 1.531 1.079 0 C-N-CA 126.369 1.938 . . . . 0.0 110.064 -170.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -75.07 -34.38 61.79 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 118.65 1.225 . . . . 0.0 112.388 176.58 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -80.72 132.7 35.58 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.216 1.406 . . . . 0.0 108.301 174.279 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 3.4 mmm180 . . . . . 0 C--O 1.252 1.23 0 CA-C-O 117.414 -1.279 . . . . 0.0 113.154 -170.322 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 151' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.998 1 C3'-C2'-C1' 105.676 4.64 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 152' ' ' ' A' . . . . . 0.412 ' C4 ' ' CE1' ' A' ' 114' ' ' PHE . . . . . . . . 0 C5'--C4' 1.533 1.806 1 O4'-C1'-N19 115.355 7.155 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.506 3 N19-C1'-C2' 122.937 5.96 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.659 2 P-O3'-C3' 128.335 7.196 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.6 mmt . . . . . 0 N--CA 1.484 1.267 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -84.57 142.73 29.77 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 119.88 1.218 . . . . 0.0 111.565 175.449 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.486 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 83.2 m-85 -126.07 157.53 37.73 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 127.799 2.44 . . . . 0.0 108.914 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -111.36 162.57 14.9 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.079 1.352 . . . . 0.0 111.745 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.589 HD22 ' HB3' ' A' ' 30' ' ' PHE . 14.6 tp -143.64 140.88 30.33 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 126.782 2.033 . . . . 0.0 111.252 173.682 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mp -119.9 106.95 19.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 126.408 1.883 . . . . 0.0 109.403 172.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.51 HD21 HD21 ' A' ' 5' ' ' LEU . 73.9 mt -77.54 75.24 4.09 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 126.285 1.834 . . . . 0.0 109.258 169.158 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -63.27 52.55 0.02 OUTLIER 'General case' 0 CA--C 1.562 1.409 0 C-N-CA 125.599 1.56 . . . . 0.0 114.302 172.485 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.78 122.43 6.79 Favored Glycine 0 N--CA 1.468 0.822 0 O-C-N 119.442 -2.036 . . . . 0.0 114.129 178.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -31.08 -41.99 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 128.911 2.885 . . . . 0.0 117.809 -177.151 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 62.2 m -100.1 -37.34 9.0 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.048 0.939 . . . . 0.0 113.131 -173.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.5 pp -114.24 -17.8 11.76 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 117.149 2.277 . . . . 0.0 117.149 -167.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -10.72 134.28 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 120.248 3.425 . . . . 0.0 120.248 -166.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -175.57 -166.22 32.81 Favored Glycine 0 CA--C 1.528 0.895 0 N-CA-C 117.058 1.583 . . . . 0.0 117.058 169.266 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -130.69 163.23 27.69 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 118.913 1.357 . . . . 0.0 113.792 -168.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.4 t -157.5 -176.61 6.05 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.553 1.541 . . . . 0.0 110.777 169.525 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.1 p -143.14 169.5 17.47 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 126.352 1.861 . . . . 0.0 110.538 174.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.8 t -157.93 149.2 21.31 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.27 -0.893 . . . . 0.0 111.76 172.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.0 tp10 -75.08 119.11 18.79 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 106.955 -1.498 . . . . 0.0 106.955 167.131 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.421 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -138.75 175.99 9.08 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.529 1.531 . . . . 0.0 112.453 178.649 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 49.4 t -83.69 -39.07 14.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 O-C-N 121.426 -0.796 . . . . 0.0 111.752 171.155 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.486 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 3.3 t70 173.63 -155.9 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 131.272 3.829 . . . . 0.0 106.656 174.278 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.5 -19.79 2.49 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 120.625 1.557 . . . . 0.0 113.874 169.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.44 -7.49 19.86 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.559 1.144 . . . . 0.0 113.674 172.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.421 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 54.9 m -137.56 -38.26 0.6 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.993 1.717 . . . . 0.0 112.095 175.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.43 -38.95 88.54 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.019 1.328 . . . . 0.0 110.914 177.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -74.97 4.36 6.73 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 177.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.406 ' HE3' HG23 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -131.97 19.42 4.55 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 125.172 1.389 . . . . 0.0 111.546 171.198 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.406 HG23 ' HE3' ' A' ' 28' ' ' LYS . 3.5 t -119.92 -51.37 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 124.875 1.27 . . . . 0.0 110.3 176.265 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.589 ' HB3' HD22 ' A' ' 5' ' ' LEU . 23.4 m-85 -60.92 -26.89 67.8 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.303 0.482 . . . . 0.0 112.303 176.515 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -54.53 -32.29 57.94 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.833 1.253 . . . . 0.0 113.0 171.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -77.53 -51.13 11.22 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 118.589 0.631 . . . . 0.0 110.848 176.254 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 94.0 t80 -60.11 -43.78 95.35 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 124.089 0.955 . . . . 0.0 112.336 -178.536 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.93 -49.85 74.37 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.964 0.906 . . . . 0.0 110.745 176.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -67.4 -23.83 65.6 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 178.379 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . 0.324 1.4 p30 -87.39 -15.29 38.25 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 120.282 1.401 . . . . 0.0 114.069 175.489 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -84.0 -46.98 11.46 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 166.051 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 133.46 -0.63 4.29 Favored Glycine 0 CA--C 1.541 1.693 0 C-N-CA 128.936 3.16 . . . . 0.0 115.627 172.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.1 t -77.72 155.23 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 125.063 1.345 . . . . 0.0 112.763 176.045 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -166.25 39.78 0.05 Allowed 'General case' 0 CA--C 1.559 1.32 0 C-N-CA 125.141 1.376 . . . . 0.0 111.729 169.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.92 -145.4 0.49 Allowed Glycine 0 CA--C 1.544 1.903 0 N-CA-C 118.11 2.004 . . . . 0.0 118.11 -176.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -72.16 89.07 1.15 Allowed 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.888 1.675 . . . . 0.0 112.44 -177.07 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 90.2 m95 -65.55 112.59 3.68 Favored 'General case' 0 C--O 1.236 0.344 0 O-C-N 120.058 -1.651 . . . . 0.0 110.543 -176.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 38.9 m -132.91 160.56 36.66 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 127.465 2.306 . . . . 0.0 108.559 -169.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -156.68 165.54 35.97 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.168 1.387 . . . . 0.0 111.097 -171.074 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -143.24 157.06 44.82 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.399 1.88 . . . . 0.0 110.494 -174.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.416 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 28.1 t70 -127.79 1.43 6.06 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 -176.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -88.73 -30.58 18.97 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.506 1.122 . . . . 0.0 109.949 169.277 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -130.96 -7.57 3.93 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 -174.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.416 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 1.2 mmpt? 60.38 46.13 10.28 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.268 1.827 . . . . 0.0 112.56 178.53 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 82.1 m -119.58 110.99 17.52 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.022 0.929 . . . . 0.0 111.534 -172.025 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -64.97 157.56 27.9 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.817 0.847 . . . . 0.0 111.332 169.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 35.3 m -147.59 149.58 32.82 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.237 1.415 . . . . 0.0 108.202 171.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.441 ' CG1' HD23 ' A' ' 7' ' ' LEU 0.269 14.5 p -148.33 79.24 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 CA-C-O 123.179 1.466 . . . . 0.0 111.61 -175.538 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.4 m -73.53 114.96 12.36 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.274 1.43 . . . . 0.0 111.873 -176.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -126.06 135.46 51.78 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 127.067 2.147 . . . . 0.0 110.832 -169.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -139.36 26.65 2.67 Favored Glycine 0 CA--C 1.536 1.377 0 N-CA-C 117.475 1.75 . . . . 0.0 117.475 -169.057 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 36.8 t -152.88 138.98 18.24 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 120.105 1.953 . . . . 0.0 115.404 173.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 31.0 m80 -75.61 -18.82 59.59 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.326 -0.859 . . . . 0.0 112.704 169.308 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 65.9 t-80 57.69 -51.14 0.04 OUTLIER 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 129.731 3.212 . . . . 0.0 116.123 -174.06 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 20.1 t60 -146.22 72.93 1.31 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.035 1.334 . . . . 0.0 112.52 178.211 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 42.0 t-80 -67.67 92.81 0.34 Allowed 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.13 1.772 . . . . 0.0 106.89 168.314 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 21.9 p80 -62.48 10.98 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 117.204 2.298 . . . . 0.0 117.204 -168.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 17.7 t60 -148.41 135.42 20.11 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 127.614 2.366 . . . . 0.0 108.766 179.107 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 17.9 ttm -145.53 28.28 1.19 Allowed 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.933 0.893 . . . . 0.0 112.123 176.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 10.6 m80 70.09 -32.44 0.24 Allowed 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 129.292 3.037 . . . . 0.0 115.426 176.166 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.18 -2.97 27.0 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 127.25 2.22 . . . . 0.0 115.367 176.212 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -70.43 166.09 21.12 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 126.271 1.829 . . . . 0.0 113.271 -177.066 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.0 p -141.13 -42.2 0.38 Allowed 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 114.508 1.299 . . . . 0.0 114.508 171.107 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.4 ' HB3' ' HD3' ' A' ' 71' ' ' PRO 0.271 44.3 t 109.08 -57.65 0.0 OUTLIER Pre-proline 0 CA--C 1.554 1.111 1 C-N-CA 133.12 4.568 . . . . 0.0 111.454 -177.953 . . . . . . . . 4 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.4 ' HD3' ' HB3' ' A' ' 70' ' ' CYS . 38.4 Cg_exo -67.29 -43.76 5.7 Favored 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 122.807 2.338 . . . . 0.0 114.799 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -81.12 -15.9 54.59 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.559 1.144 . . . . 0.0 112.326 -175.138 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.434 ' C ' ' H ' ' A' ' 75' ' ' LYS . 1.0 OUTLIER -71.83 26.39 0.05 OUTLIER 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 127.805 2.442 . . . . 0.0 114.831 -174.73 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 26.5 p -66.49 19.4 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.148 0 C-N-CA 126.018 1.727 . . . . 0.0 113.776 169.3 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.434 ' H ' ' C ' ' A' ' 73' ' ' ASP . 40.2 mmtm -87.72 136.12 33.09 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 128.487 2.715 . . . . 0.0 109.977 -172.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 63.6 t -130.74 139.15 51.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 124.635 1.174 . . . . 0.0 111.12 -170.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -93.2 147.77 22.6 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 126.412 1.885 . . . . 0.0 110.032 169.353 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.489 HG13 ' HB3' ' A' ' 113' ' ' ALA . 0.4 OUTLIER -147.85 131.35 8.6 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.296 0 CA-C-O 121.431 0.634 . . . . 0.0 111.144 169.66 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -161.18 -163.66 14.59 Favored Glycine 0 N--CA 1.469 0.892 0 O-C-N 121.298 -0.876 . . . . 0.0 114.335 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 36.42 60.79 0.87 Allowed 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 126.04 1.736 . . . . 0.0 111.617 -172.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 45.7 tp -115.28 -25.03 8.18 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.301 1.44 . . . . 0.0 114.289 -168.283 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 96.11 -178.02 34.26 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 123.818 0.723 . . . . 0.0 111.45 -169.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -59.19 -0.49 0.14 Allowed 'General case' 0 CA--C 1.553 1.07 0 N-CA-C 117.928 2.566 . . . . 0.0 117.928 -169.225 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -79.67 56.39 2.23 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 120.55 1.523 . . . . 0.0 113.418 -179.038 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -75.9 56.23 3.08 Favored Glycine 0 N--CA 1.472 1.089 0 C-N-CA 126.023 1.773 . . . . 0.0 113.561 175.483 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -141.66 140.98 33.36 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 126.414 1.886 . . . . 0.0 107.797 171.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 20.1 pttp -57.87 -28.33 64.06 Favored 'General case' 0 C--O 1.217 -0.639 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 -177.248 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 21.7 m -43.5 -57.9 2.88 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 126.306 1.842 . . . . 0.0 114.132 -170.303 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.77 -59.36 4.66 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 122.578 0.351 . . . . 0.0 110.682 -177.704 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.1 pp -63.03 -33.66 75.91 Favored 'General case' 0 C--O 1.218 -0.568 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -175.056 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -58.83 -48.37 81.56 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 126.418 1.887 . . . . 0.0 111.419 175.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -34.43 70.97 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 118.413 -0.803 . . . . 0.0 112.127 172.423 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.0 -39.42 92.18 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 119.419 1.009 . . . . 0.0 111.701 178.305 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.502 ' CD2' HG21 ' A' ' 115' ' ' VAL . 11.1 m-85 -75.26 -62.08 1.68 Allowed 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 126.317 1.847 . . . . 0.0 111.747 176.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -63.68 -13.52 51.66 Favored Glycine 0 CA--C 1.544 1.858 0 N-CA-C 115.293 0.877 . . . . 0.0 115.293 -178.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -54.98 -48.35 73.38 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 118.999 1.399 . . . . 0.0 111.662 167.385 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -65.5 -47.74 74.96 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.495 0.718 . . . . 0.0 109.544 172.346 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 176.14 160.46 23.56 Favored Glycine 0 N--CA 1.478 1.444 0 N-CA-C 115.652 1.021 . . . . 0.0 115.652 169.113 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -47.58 139.13 18.38 Favored 'Trans proline' 0 CA--C 1.537 0.65 0 C-N-CA 124.079 3.186 . . . . 0.0 116.718 -168.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.464 HD22 HG22 ' A' ' 103' ' ' VAL . 0.2 OUTLIER -117.93 150.89 38.47 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.844 1.257 . . . . 0.0 113.373 173.537 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -94.45 -37.92 11.19 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 127.068 2.147 . . . . 0.0 112.723 -169.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.1 m -140.58 144.38 35.82 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.855 1.262 . . . . 0.0 110.415 175.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.464 HG22 HD22 ' A' ' 100' ' ' LEU . 1.8 t -143.29 131.43 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 125.436 1.494 . . . . 0.0 107.169 -178.407 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 85.1 t90 -147.1 147.91 31.06 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.998 0.919 . . . . 0.0 112.257 -168.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 1.4 m -141.97 153.11 18.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 O-C-N 121.593 -0.692 . . . . 0.0 109.604 169.149 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -81.25 160.31 24.3 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 114.584 1.327 . . . . 0.0 114.584 -170.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 23.8 mtm105 -68.24 -34.18 75.74 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 116.377 1.991 . . . . 0.0 116.377 -172.448 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 33.8 m120 -116.6 -38.47 0.07 OUTLIER Pre-proline 0 CA--C 1.549 0.941 0 N-CA-C 117.074 2.25 . . . . 0.0 117.074 -169.08 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -95.15 101.24 0.11 Allowed 'Trans proline' 0 CA--C 1.55 1.282 0 C-N-CA 123.591 2.86 . . . . 0.0 111.291 172.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -80.35 51.51 3.95 Favored 'Trans proline' 0 CA--C 1.547 1.161 0 C-N-CA 123.787 2.992 . . . . 0.0 113.491 -172.122 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -158.46 21.46 0.34 Allowed Glycine 0 N--CA 1.476 1.316 0 C-N-CA 124.946 1.26 . . . . 0.0 114.47 178.042 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -149.46 141.4 23.79 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 127.342 2.257 . . . . 0.0 108.431 -174.28 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.489 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -164.36 178.28 7.61 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 114.927 1.454 . . . . 0.0 114.927 -165.773 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -147.22 166.11 28.0 Favored 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 176.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.502 HG21 ' CD2' ' A' ' 94' ' ' PHE . 1.5 t -152.06 165.84 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 C-N-CA 126.439 1.896 . . . . 0.0 112.919 -173.474 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 56.4 tt0 -140.88 117.01 10.57 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 127.684 2.393 . . . . 0.0 108.105 167.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.4 ' CZ ' ' HB3' ' A' ' 94' ' ' PHE . 33.8 m-85 -79.58 159.0 27.0 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 119.692 1.133 . . . . 0.0 113.025 173.731 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -71.86 -19.25 61.99 Favored 'General case' 0 CA--C 1.548 0.875 0 O-C-N 121.455 -0.778 . . . . 0.0 112.151 174.325 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -137.67 124.78 13.68 Favored Pre-proline 0 CA--C 1.549 0.908 0 C-N-CA 126.975 2.11 . . . . 0.0 108.895 179.088 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -60.27 -24.84 78.56 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 122.651 2.234 . . . . 0.0 113.522 177.207 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -70.88 -31.33 67.96 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.049 0.84 . . . . 0.0 111.904 171.314 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -70.63 -40.1 73.3 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 120.004 1.275 . . . . 0.0 111.813 169.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.45 -43.0 83.57 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 119.152 0.887 . . . . 0.0 111.577 169.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.07 -48.75 75.0 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.163 0.585 . . . . 0.0 112.413 176.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -59.62 -42.34 92.47 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.288 1.035 . . . . 0.0 112.473 176.262 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.39 -54.97 24.44 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 118.83 -0.605 . . . . 0.0 109.694 177.177 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 37.5 t -50.89 -48.36 28.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 124.373 1.069 . . . . 0.0 112.472 175.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 7.1 ppt_? -69.45 -22.1 63.67 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 -176.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -111.27 -9.95 14.28 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 178.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 39.4 mt -90.02 -45.09 9.41 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.49 1.516 . . . . 0.0 112.499 172.118 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -61.43 130.05 44.15 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 113.704 1.002 . . . . 0.0 113.704 -169.584 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 65.43 38.39 94.83 Favored Glycine 0 CA--C 1.533 1.193 0 CA-C-O 119.129 -0.817 . . . . 0.0 114.533 169.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 22.7 mmt-85 -118.02 -56.97 2.14 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-N 118.28 1.04 . . . . 0.0 113.734 -173.133 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 16.9 m 138.07 128.08 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.13 1 C-N-CA 132.756 4.422 . . . . 0.0 107.859 -171.68 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -161.64 135.99 6.95 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 104.339 -2.467 . . . . 0.0 104.339 174.549 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 10.9 t 61.52 -62.91 0.09 Allowed 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 126.287 1.835 . . . . 0.0 111.027 -167.568 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 173.65 27.97 0.03 OUTLIER Glycine 0 CA--C 1.53 1.002 0 C-N-CA 124.926 1.251 . . . . 0.0 115.02 168.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -140.4 -169.75 2.84 Favored 'General case' 0 CA--C 1.55 0.975 0 CA-C-N 118.237 1.018 . . . . 0.0 112.37 -169.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.21 3.97 19.03 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 114.843 1.423 . . . . 0.0 114.843 -168.713 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . 0.27 3.6 p 36.34 70.79 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 128.748 2.819 . . . . 0.0 111.815 174.297 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.15 89.25 0.18 Allowed 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.774 2.029 . . . . 0.0 110.625 176.5 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 95.8 t -123.64 127.48 74.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 -171.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -153.24 167.75 28.28 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 121.211 -0.93 . . . . 0.0 111.869 -171.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 84.0 mt -75.51 134.2 40.84 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 120.514 -1.366 . . . . 0.0 109.245 169.201 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.21 130.13 42.24 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 -172.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 12.4 p-10 -132.43 -41.42 0.97 Allowed 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.583 1.153 . . . . 0.0 114.066 173.195 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 124.65 10.45 4.9 Favored Glycine 0 CA--C 1.54 1.626 0 C-N-CA 125.27 1.414 . . . . 0.0 115.824 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -62.17 137.8 58.31 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 116.458 2.021 . . . . 0.0 116.458 -169.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -143.66 4.48 1.34 Allowed 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 115.123 1.527 . . . . 0.0 115.123 177.567 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.058 0 C-N-CA 129.469 3.108 . . . . 0.0 108.977 -175.452 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 151' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.6 1 O4'-C1'-N19 112.791 4.591 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 152' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.298 2 P-O3'-C3' 127.648 6.623 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.886 3 N19-C1'-C2' 125.756 7.723 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.752 2 O4'-C1'-N19 114.391 6.191 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -92.23 143.34 26.52 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 120.694 -1.254 . . . . 0.0 113.265 -173.183 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.455 ' CD1' ' HB3' ' A' ' 20' ' ' ALA . 57.5 m-85 -125.14 159.73 30.8 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 127.72 2.408 . . . . 0.0 108.828 -178.454 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -111.24 160.81 16.63 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.941 1.296 . . . . 0.0 111.53 -179.496 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.499 HD11 ' HG ' ' A' ' 7' ' ' LEU . 1.1 tm? -146.27 137.22 24.35 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 126.202 1.801 . . . . 0.0 110.872 175.049 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mp -112.4 121.0 63.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 126.368 1.867 . . . . 0.0 110.767 172.13 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.499 ' HG ' HD11 ' A' ' 5' ' ' LEU . 3.1 mp -87.75 66.48 8.85 Favored 'General case' 0 C--O 1.223 -0.301 0 C-N-CA 127.131 2.172 . . . . 0.0 109.87 178.083 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.405 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 14.4 t30 -66.95 60.58 0.05 OUTLIER 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 127.095 2.158 . . . . 0.0 115.185 -173.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.86 -179.36 29.19 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 120.879 -1.138 . . . . 0.0 115.493 -179.232 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -58.93 -62.68 1.7 Allowed 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.645 1.578 . . . . 0.0 114.234 -169.696 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.8 m -124.95 -14.57 6.62 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 124.31 1.044 . . . . 0.0 112.801 -169.358 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.702 ' H ' HD23 ' A' ' 12' ' ' LEU . 2.6 pt? -109.39 -4.84 16.08 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.976 1.71 . . . . 0.0 114.793 -169.689 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.484 ' H ' ' HE2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -41.79 148.93 0.15 Allowed 'General case' 0 C--O 1.235 0.311 0 N-CA-C 117.275 2.324 . . . . 0.0 117.275 -168.771 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -168.65 -152.48 7.72 Favored Glycine 0 CA--C 1.527 0.806 0 CA-C-N 113.959 -1.473 . . . . 0.0 116.573 170.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -156.75 157.21 34.67 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.728 1.611 . . . . 0.0 112.318 -179.58 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.7 t -155.65 -173.82 4.7 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 126.054 1.742 . . . . 0.0 109.749 176.13 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 54.6 p -140.61 169.74 17.08 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.703 1.601 . . . . 0.0 110.609 176.218 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.595 HG21 ' CG1' ' A' ' 29' ' ' VAL . 3.6 t -153.9 151.47 29.51 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.989 0.916 . . . . 0.0 111.456 178.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -80.94 122.79 27.69 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 168.178 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.455 ' HB3' ' CD1' ' A' ' 3' ' ' TYR . . . -143.71 172.57 12.64 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.697 1.199 . . . . 0.0 114.159 -178.815 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.8 t -97.38 -15.72 7.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 124.302 1.041 . . . . 0.0 112.689 175.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.453 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR 0.253 3.4 t70 150.54 -157.67 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.554 1 C-N-CA 133.817 4.847 . . . . 0.0 107.329 173.615 . . . . . . . . 4 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.53 -20.57 3.04 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 120.982 1.719 . . . . 0.0 114.016 171.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.33 -9.1 21.7 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.658 1.183 . . . . 0.0 113.677 172.444 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.422 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 85.9 m -136.14 -39.05 0.68 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.762 1.625 . . . . 0.0 112.395 176.602 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.457 ' HA ' HG12 ' A' ' 29' ' ' VAL . . . -67.6 -37.61 82.8 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.849 1.26 . . . . 0.0 110.754 179.242 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -74.73 3.14 8.46 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 177.141 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.87 20.88 3.52 Favored 'General case' 0 N--CA 1.464 0.244 0 O-C-N 120.669 -1.27 . . . . 0.0 112.003 175.776 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.595 ' CG1' HG21 ' A' ' 18' ' ' THR . 3.4 p -124.96 -41.55 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 124.248 1.019 . . . . 0.0 112.222 176.269 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.424 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.6 m-85 -67.95 -28.12 67.19 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 124.341 1.056 . . . . 0.0 113.026 173.491 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -55.27 -32.3 62.27 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.586 1.155 . . . . 0.0 113.054 175.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -81.93 -49.6 10.11 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.816 0.846 . . . . 0.0 110.492 179.266 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -62.04 -42.01 98.73 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.241 1.017 . . . . 0.0 112.137 -179.494 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.35 -49.84 75.99 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.884 0.874 . . . . 0.0 111.831 177.437 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -64.78 -22.99 67.1 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 175.242 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -79.47 -28.29 41.53 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 119.398 0.999 . . . . 0.0 113.034 176.422 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 52.4 m-80 -78.27 -42.48 30.87 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 167.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.91 -2.03 6.33 Favored Glycine 0 CA--C 1.533 1.174 0 C-N-CA 128.415 2.912 . . . . 0.0 115.269 169.585 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.1 t -75.91 140.66 16.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 CA-C-N 118.656 1.228 . . . . 0.0 110.023 176.23 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -161.29 62.48 0.27 Allowed 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 122.69 1.233 . . . . 0.0 113.54 168.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.403 ' H ' HG22 ' A' ' 54' ' ' VAL . . . -82.56 -153.75 13.37 Favored Glycine 0 CA--C 1.535 1.282 0 C-N-CA 125.495 1.522 . . . . 0.0 116.41 174.325 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.22 134.72 55.32 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.191 1.396 . . . . 0.0 109.948 170.679 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 75.7 m95 -99.34 120.09 39.01 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.989 0.915 . . . . 0.0 112.077 -177.571 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.83 159.46 23.03 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 127.889 2.476 . . . . 0.0 109.951 -173.638 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -156.38 165.61 35.82 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.138 1.375 . . . . 0.0 111.189 -176.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -145.59 160.61 41.4 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.452 1.901 . . . . 0.0 110.585 -175.74 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.434 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 29.6 t70 -129.67 0.33 4.91 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 -178.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -85.42 -28.73 24.9 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 121.575 -0.703 . . . . 0.0 110.648 169.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.2 p -134.15 -11.48 2.54 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.371 1.468 . . . . 0.0 113.064 -171.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.434 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 0.9 OUTLIER 63.18 45.8 4.93 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 126.191 1.796 . . . . 0.0 112.543 178.491 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 96.8 m -115.13 107.91 15.94 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.45 1.1 . . . . 0.0 111.776 -173.023 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -66.73 163.84 18.3 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 122.301 1.048 . . . . 0.0 110.69 168.245 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 51.6 m -148.57 154.23 39.47 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.093 1.357 . . . . 0.0 107.851 169.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.403 HG22 ' H ' ' A' ' 41' ' ' GLY . 12.8 p -133.81 105.28 7.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 C-N-CA 125.195 1.398 . . . . 0.0 109.759 172.43 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.405 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 79.2 m -105.68 103.49 13.01 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.03 0.932 . . . . 0.0 112.1 -169.691 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -54.41 133.98 45.66 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 126.267 1.827 . . . . 0.0 113.824 -172.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -97.49 -13.58 44.12 Favored Glycine 0 CA--C 1.537 1.429 0 C-N-CA 124.408 1.004 . . . . 0.0 114.4 177.152 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.2 m -74.67 29.49 0.09 Allowed 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.964 2.106 . . . . 0.0 114.39 -176.479 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -79.31 3.53 17.85 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 126.206 1.802 . . . . 0.0 114.562 -177.252 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -49.38 116.06 1.58 Allowed 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 126.332 1.853 . . . . 0.0 114.135 177.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 60.2 t60 -174.73 171.25 3.24 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 129.605 3.162 . . . . 0.0 108.937 169.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 21.1 p80 -147.8 164.59 33.16 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 119.884 1.22 . . . . 0.0 114.097 172.49 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -63.42 145.65 55.18 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.837 1.655 . . . . 0.0 112.693 176.268 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -133.98 15.54 3.89 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 124.76 1.224 . . . . 0.0 113.719 -178.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 23.2 ttm 61.26 22.13 12.52 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 125.297 1.439 . . . . 0.0 114.664 -174.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.495 ' CD2' ' HD3' ' A' ' 67' ' ' ARG . 35.1 p-80 -165.55 178.12 6.93 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 127.693 2.397 . . . . 0.0 109.379 173.683 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.495 ' HD3' ' CD2' ' A' ' 66' ' ' HIS 0.334 0.0 OUTLIER 41.71 -2.78 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 121.657 3.947 . . . . 0.0 121.657 179.112 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -125.86 -1.12 7.26 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 126.081 1.752 . . . . 0.0 114.071 -173.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 52.0 m -135.77 -174.6 3.7 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 127.419 2.288 . . . . 0.0 110.289 -170.127 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 77.4 m -49.12 133.52 15.84 Favored Pre-proline 0 CA--C 1.556 1.188 0 CA-C-O 116.793 -1.575 . . . . 0.0 110.175 169.351 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_exo -52.24 49.29 0.02 OUTLIER 'Trans proline' 0 CA--C 1.557 1.667 1 C-N-CA 127.426 5.417 . . . . 0.0 122.269 -171.247 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.9 20.95 0.06 Allowed 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 126.553 1.941 . . . . 0.0 114.544 169.477 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -61.45 -1.24 0.5 Allowed 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 126.842 2.057 . . . . 0.0 115.685 -175.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 15.1 t -62.81 -10.38 12.85 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 124.477 1.111 . . . . 0.0 112.341 168.454 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.35 127.02 6.92 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 126.758 2.023 . . . . 0.0 110.592 169.55 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 92.5 t -103.11 135.22 41.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 124.131 0.972 . . . . 0.0 110.352 -170.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -93.35 149.91 20.87 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 124.765 1.226 . . . . 0.0 110.104 169.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.472 HG13 ' HB3' ' A' ' 113' ' ' ALA . 0.5 OUTLIER -151.9 145.43 15.92 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.281 0 CA-C-O 122.503 1.144 . . . . 0.0 112.241 171.734 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -139.77 144.95 15.76 Favored Glycine 0 N--CA 1.468 0.83 0 N-CA-C 109.143 -1.583 . . . . 0.0 109.143 168.397 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -151.03 152.47 33.53 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 118.469 1.134 . . . . 0.0 113.95 -168.445 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.1 tp 62.49 -45.83 0.18 Allowed 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 130.2 3.4 . . . . 0.0 113.265 -168.469 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 134.23 -27.28 3.29 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 127.628 2.537 . . . . 0.0 111.209 -170.081 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -154.45 27.59 0.45 Allowed 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 125.875 1.67 . . . . 0.0 113.648 -175.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -107.98 152.29 24.67 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 119.742 1.156 . . . . 0.0 113.186 -176.353 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -156.92 60.93 0.34 Allowed Glycine 0 CA--C 1.529 0.913 0 C-N-CA 125.584 1.564 . . . . 0.0 111.961 -170.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -128.91 125.84 38.42 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.211 1.405 . . . . 0.0 109.214 173.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.5 ptmm? -63.37 -33.71 76.14 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 115.804 1.779 . . . . 0.0 115.804 -175.19 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.9 m -71.8 -34.75 69.63 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 116.108 1.892 . . . . 0.0 116.108 -167.408 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -68.48 -48.32 64.78 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 120.562 1.528 . . . . 0.0 110.732 175.41 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.4 pp -64.85 -33.82 76.92 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 119.57 -0.852 . . . . 0.0 111.82 176.461 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -57.99 -50.32 73.79 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.011 1.324 . . . . 0.0 112.12 175.451 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.6 -40.82 93.1 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 119.056 0.843 . . . . 0.0 110.878 174.111 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.21 -42.95 96.22 Favored 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 123.354 0.661 . . . . 0.0 111.795 -178.354 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.437 ' HB3' ' CZ ' ' A' ' 117' ' ' PHE . 11.7 m-85 -72.05 -62.77 1.31 Allowed 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 125.049 1.34 . . . . 0.0 112.104 175.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -56.31 -20.73 30.46 Favored Glycine 0 CA--C 1.545 1.948 0 N-CA-C 115.415 0.926 . . . . 0.0 115.415 -178.012 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -53.76 -51.14 64.34 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.796 1.638 . . . . 0.0 113.016 168.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -70.06 -40.75 74.87 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.647 0.779 . . . . 0.0 111.348 178.281 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -174.35 163.82 34.67 Favored Glycine 0 N--CA 1.472 1.098 0 CA-C-O 118.625 -1.097 . . . . 0.0 113.816 169.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -65.11 128.65 21.05 Favored 'Trans proline' 0 CA--C 1.533 0.442 0 CA-C-N 120.852 2.326 . . . . 0.0 114.36 -168.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.529 HD13 ' CG2' ' A' ' 103' ' ' VAL . 16.7 mt -65.04 154.31 38.15 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.506 1.522 . . . . 0.0 112.156 170.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -108.81 -31.11 7.82 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 126.432 1.893 . . . . 0.0 111.113 171.016 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 11.5 p -155.64 155.76 33.82 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.472 1.109 . . . . 0.0 111.565 168.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.529 ' CG2' HD13 ' A' ' 100' ' ' LEU . 67.6 t -138.3 135.38 44.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 125.281 1.432 . . . . 0.0 108.677 172.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 83.5 t90 -144.92 142.89 30.24 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 125.045 1.338 . . . . 0.0 111.342 -178.357 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.439 HG12 ' HB1' ' A' ' 113' ' ' ALA . 1.8 m -141.0 149.94 20.55 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 168.777 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.05 151.54 22.04 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 116.284 1.957 . . . . 0.0 116.284 -169.198 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -50.84 -29.25 11.29 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 117.876 2.547 . . . . 0.0 117.876 -169.229 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.404 ' H ' ' HD2' ' A' ' 109' ' ' PRO . 27.7 t-20 -153.37 -56.08 0.02 OUTLIER Pre-proline 0 CA--C 1.55 0.956 0 N-CA-C 114.876 1.435 . . . . 0.0 114.876 176.516 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.404 ' HD2' ' H ' ' A' ' 108' ' ' ASN . 67.1 Cg_endo -73.46 122.1 7.64 Favored 'Trans proline' 0 CA--C 1.545 1.025 0 C-N-CA 122.002 1.801 . . . . 0.0 111.336 -175.539 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -81.7 152.12 17.16 Favored 'Trans proline' 0 CA--C 1.542 0.918 0 C-N-CA 122.756 2.304 . . . . 0.0 112.624 -176.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 159.31 -30.1 0.41 Allowed Glycine 0 CA--C 1.533 1.2 0 C-N-CA 124.652 1.12 . . . . 0.0 114.397 169.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -147.21 176.37 10.02 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 125.445 1.498 . . . . 0.0 112.029 -172.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.472 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -170.33 174.81 5.1 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 125.686 1.594 . . . . 0.0 113.108 -167.718 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -147.83 150.2 33.73 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 113.234 0.827 . . . . 0.0 113.234 172.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.424 HG11 ' CD2' ' A' ' 94' ' ' PHE . 11.4 m -140.24 172.74 11.51 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.302 0 O-C-N 120.99 -1.069 . . . . 0.0 113.759 177.49 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -140.97 144.86 35.35 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 126.554 1.941 . . . . 0.0 108.504 171.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.437 ' CZ ' ' HB3' ' A' ' 94' ' ' PHE . 42.2 m-85 -116.04 158.27 23.4 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.352 1.061 . . . . 0.0 112.911 178.216 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 25.4 tp10 -74.49 -37.03 63.26 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -176.658 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -115.12 127.75 26.55 Favored Pre-proline 0 CA--C 1.544 0.744 0 C-N-CA 125.002 1.321 . . . . 0.0 107.804 169.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -49.09 -27.69 12.7 Favored 'Trans proline' 0 CA--C 1.537 0.671 0 C-N-CA 123.563 2.842 . . . . 0.0 114.698 169.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -26.81 65.42 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.064 0.946 . . . . 0.0 113.072 171.569 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -66.35 -47.26 74.03 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 119.473 1.033 . . . . 0.0 109.815 169.603 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.27 -39.84 88.25 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.207 0.603 . . . . 0.0 111.697 174.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.94 -48.52 73.8 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.496 0.719 . . . . 0.0 112.657 175.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -56.13 -45.9 79.41 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 119.228 0.922 . . . . 0.0 111.126 173.303 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.73 -58.25 8.77 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 124.164 0.985 . . . . 0.0 110.226 -179.032 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 39.2 t -51.36 -42.56 27.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 124.832 1.253 . . . . 0.0 112.318 175.21 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -65.68 -23.98 66.9 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.084 1.354 . . . . 0.0 113.762 -179.071 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -111.94 -14.2 13.52 Favored 'General case' 0 CA--C 1.552 1.044 0 N-CA-C 115.076 1.51 . . . . 0.0 115.076 173.677 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 73.9 mt -102.2 -4.98 24.91 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.124 1.77 . . . . 0.0 115.095 -174.701 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -56.73 168.77 0.56 Allowed 'General case' 0 CA--C 1.55 0.955 0 CA-C-N 119.549 1.068 . . . . 0.0 113.387 174.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -34.12 16.11 0.0 OUTLIER Glycine 0 N--CA 1.492 2.369 2 C-N-CA 133.29 5.233 . . . . 0.0 124.504 -172.132 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 31.9 mtt180 -69.87 -65.22 0.75 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 129.584 3.154 . . . . 0.0 109.512 177.103 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.3 t 170.73 173.51 0.07 Allowed 'General case' 0 CA--C 1.539 0.536 1 C-N-CA 132.423 4.289 . . . . 0.0 109.002 169.324 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 57.6 tp -149.91 -58.96 0.2 Allowed 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.328 1.051 . . . . 0.0 111.519 169.568 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 71.6 m -75.09 -17.12 60.51 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 175.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 114.94 31.47 2.08 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 124.657 1.122 . . . . 0.0 115.515 169.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 44.9 t -149.36 -73.75 0.17 Allowed 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 117.98 0.89 . . . . 0.0 109.731 169.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -126.66 158.78 35.47 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 126.093 1.757 . . . . 0.0 113.257 170.443 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 3.7 p -143.37 163.52 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.877 1.271 . . . . 0.0 110.85 167.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 35.4 mtp180 -143.37 132.57 23.17 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 129.315 3.046 . . . . 0.0 105.703 168.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 73.5 t -148.26 116.72 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-N 120.023 1.283 . . . . 0.0 108.371 173.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -142.53 -170.15 3.14 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.595 1.158 . . . . 0.0 110.562 -169.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 77.6 mt -103.03 146.68 27.99 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 120.765 -1.209 . . . . 0.0 109.245 168.457 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 58.7 m -53.33 126.62 21.8 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.569 1.148 . . . . 0.0 113.553 -174.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -154.08 108.3 3.02 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 128.42 2.688 . . . . 0.0 109.307 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -154.49 165.28 31.88 Favored Glycine 0 CA--C 1.537 1.42 0 N-CA-C 115.615 1.006 . . . . 0.0 115.615 -176.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -166.4 121.58 1.18 Allowed 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 127.451 2.3 . . . . 0.0 109.298 -175.052 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 21.8 mtmm -155.53 150.4 26.47 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 126.59 1.956 . . . . 0.0 111.22 169.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.177 0 C-N-CA 129.028 2.931 . . . . 0.0 111.219 176.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 151' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.475 1 O4'-C1'-N19 112.558 4.358 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 152' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.479 1 P-O3'-C3' 126.59 5.741 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.6 2 N19-C1'-C2' 125.088 7.305 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.674 1 O4'-C1'-N19 113.966 5.766 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.486 1.334 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -90.47 140.81 29.38 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 120.075 1.307 . . . . 0.0 112.286 178.134 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.455 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 94.5 m-85 -127.62 152.64 47.4 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 127.28 2.232 . . . . 0.0 108.799 -177.675 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -109.46 164.77 12.2 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.776 1.23 . . . . 0.0 111.638 -179.077 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.519 HD11 ' CD2' ' A' ' 7' ' ' LEU . 1.4 tm? -147.71 138.08 23.06 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 127.152 2.181 . . . . 0.0 110.717 178.141 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.6 mp -118.43 114.43 45.0 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 C-N-CA 126.652 1.981 . . . . 0.0 110.728 172.661 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.519 ' CD2' HD11 ' A' ' 5' ' ' LEU . 80.9 mt -85.84 67.65 10.1 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 126.896 2.078 . . . . 0.0 111.342 172.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 39.8 m-20 -53.22 104.23 0.09 Allowed 'General case' 0 CA--C 1.56 1.333 0 O-C-N 120.775 -1.203 . . . . 0.0 114.174 173.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -153.37 137.36 5.75 Favored Glycine 0 CA--C 1.542 1.761 0 O-C-N 120.38 -1.45 . . . . 0.0 114.171 169.385 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -45.05 -52.09 9.37 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 116.461 2.023 . . . . 0.0 116.461 -169.205 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.1 p -100.51 -0.8 37.18 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.957 0.903 . . . . 0.0 113.305 -170.145 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -146.59 -1.31 0.71 Allowed 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 117.283 2.327 . . . . 0.0 117.283 -167.491 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.59 145.83 0.59 Allowed 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 115.025 1.491 . . . . 0.0 115.025 -169.146 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -163.68 -164.18 18.21 Favored Glycine 0 CA--C 1.521 0.416 0 N-CA-C 116.79 1.476 . . . . 0.0 116.79 171.141 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -157.54 159.75 37.48 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 126.122 1.769 . . . . 0.0 111.406 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.4 t -154.77 -175.95 5.68 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 125.736 1.615 . . . . 0.0 109.94 174.183 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 72.9 p -141.1 170.64 15.34 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 125.68 1.592 . . . . 0.0 110.302 174.536 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.4 t -157.05 153.53 28.06 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 121.327 -0.858 . . . . 0.0 111.827 172.401 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -81.37 120.13 24.57 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 167.501 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -143.24 175.45 9.88 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.915 1.686 . . . . 0.0 112.403 -176.043 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 66.3 t -77.83 -47.47 25.37 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 O-C-N 121.481 -0.762 . . . . 0.0 110.476 169.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.455 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 4.0 t70 176.32 -158.02 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 130.33 3.452 . . . . 0.0 106.412 -177.595 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.02 -20.2 2.29 Favored 'General case' 0 CA--C 1.547 0.853 0 O-C-N 120.239 -1.538 . . . . 0.0 113.957 169.5 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.4 -8.28 24.76 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.087 1.355 . . . . 0.0 113.821 173.199 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.3 m -137.69 -36.26 0.63 Allowed 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.802 1.641 . . . . 0.0 112.28 175.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.55 -37.38 87.37 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.779 1.231 . . . . 0.0 110.758 176.665 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -74.82 4.39 6.49 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 178.433 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.406 ' HE2' HG23 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -132.48 16.81 4.42 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 120.426 -1.421 . . . . 0.0 111.869 173.743 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.406 HG23 ' HE2' ' A' ' 28' ' ' LYS . 3.8 t -118.14 -51.23 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 125.36 1.464 . . . . 0.0 110.243 178.142 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -62.46 -25.72 68.14 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 177.445 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -57.31 -27.03 61.81 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.97 1.708 . . . . 0.0 113.537 174.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -79.39 -57.74 3.55 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 175.567 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -57.4 -41.4 80.22 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.916 0.886 . . . . 0.0 112.67 -177.161 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.17 -49.28 78.24 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 124.157 0.983 . . . . 0.0 112.532 179.22 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -65.01 -25.31 67.8 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 178.17 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -80.91 -27.87 36.07 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 59.8 m-80 -81.17 -37.74 28.25 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 168.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.3 9.64 10.28 Favored Glycine 0 CA--C 1.534 1.27 0 C-N-CA 127.911 2.672 . . . . 0.0 115.681 169.413 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 60.6 t -84.94 149.83 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 124.376 1.07 . . . . 0.0 110.574 170.446 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -161.69 32.7 0.13 Allowed 'General case' 0 CA--C 1.555 1.138 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 169.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.08 -131.69 0.38 Allowed Glycine 0 CA--C 1.545 1.968 0 N-CA-C 117.364 1.705 . . . . 0.0 117.364 -173.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.417 ' HG2' ' H ' ' A' ' 55' ' ' THR . 7.8 pt-20 -69.7 81.5 0.43 Allowed 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.111 1.364 . . . . 0.0 113.126 -174.73 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 72.5 m95 -60.4 108.22 0.78 Allowed 'General case' 0 N--CA 1.466 0.345 0 O-C-N 120.191 -1.568 . . . . 0.0 110.449 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.82 164.41 20.08 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 126.607 1.963 . . . . 0.0 111.271 -172.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -149.27 156.95 42.9 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.095 1.358 . . . . 0.0 110.657 175.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -126.78 124.07 38.86 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 125.233 1.413 . . . . 0.0 108.355 171.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.482 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.8 OUTLIER -84.77 -7.07 59.34 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 114.104 1.15 . . . . 0.0 114.104 -173.377 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -101.41 -29.05 12.24 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.333 1.453 . . . . 0.0 112.097 -177.514 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.8 t -113.22 2.05 15.45 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.496 0.718 . . . . 0.0 112.839 171.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.482 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 4.6 mmpt? 53.95 40.38 31.52 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.009 1.724 . . . . 0.0 112.47 169.771 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 73.0 m -125.12 114.23 18.76 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.047 1.339 . . . . 0.0 110.096 -170.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -67.47 161.19 25.95 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.538 1.135 . . . . 0.0 111.889 169.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.0 m -146.09 158.95 43.89 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 125.546 1.539 . . . . 0.0 107.834 169.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.5 ' CG1' HD23 ' A' ' 7' ' ' LEU . 14.3 p -153.98 94.15 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 124.979 1.312 . . . . 0.0 110.087 176.291 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.417 ' H ' ' HG2' ' A' ' 42' ' ' GLU . 28.9 m -88.17 108.09 19.1 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.191 0.996 . . . . 0.0 110.95 -178.515 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.46 161.27 2.71 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.477 1.511 . . . . 0.0 112.636 174.353 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -120.25 -36.02 0.83 Allowed Glycine 0 CA--C 1.53 0.985 0 C-N-CA 124.402 1.001 . . . . 0.0 113.813 178.13 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.3 p -66.91 -33.82 76.43 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.258 1.529 . . . . 0.0 112.853 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -76.0 -7.2 54.09 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 172.426 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 35.2 m170 -118.6 2.79 11.76 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.914 1.286 . . . . 0.0 114.144 -177.225 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 20.5 p-80 -57.81 -22.08 45.57 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 175.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -122.88 35.08 4.96 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 127.12 2.168 . . . . 0.0 112.507 -179.067 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . 0.327 0.0 OUTLIER 44.87 152.84 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.135 1 C-N-CA 131.916 4.086 . . . . 0.0 118.676 -175.227 . . . . . . . . 4 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -68.49 -32.62 72.72 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 120.653 -1.28 . . . . 0.0 112.985 -172.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 67.8 mmm -146.77 158.56 43.94 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.854 1.662 . . . . 0.0 112.565 -178.4 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.453 ' CD2' ' HE ' ' A' ' 67' ' ' ARG . 2.4 t60 -143.48 142.85 31.33 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 127.558 2.343 . . . . 0.0 108.446 -175.642 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.453 ' HE ' ' CD2' ' A' ' 66' ' ' HIS . 1.2 mpt_? 59.01 -13.39 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 127.849 2.46 . . . . 0.0 117.414 -169.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.269 3.8 p30 40.06 -126.25 0.41 Allowed 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 126.514 1.926 . . . . 0.0 113.779 -175.704 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 42.6 m -152.36 12.4 0.55 Allowed 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 125.455 1.502 . . . . 0.0 113.931 -179.393 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 52.8 t -124.98 146.01 52.1 Favored Pre-proline 0 CA--C 1.543 0.697 0 C-N-CA 126.255 1.822 . . . . 0.0 109.823 -177.258 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -50.4 -34.94 43.19 Favored 'Trans proline' 0 CA--C 1.54 0.775 0 C-N-CA 122.626 2.217 . . . . 0.0 113.867 169.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.6 tp 71.79 -21.21 0.22 Allowed 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 127.502 2.321 . . . . 0.0 115.155 178.16 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 60.73 -23.81 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 130.12 3.368 . . . . 0.0 119.184 168.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 26.0 p -68.6 -21.98 64.48 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 120.603 1.547 . . . . 0.0 113.149 170.127 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 36.4 mttm -85.79 131.83 34.24 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 126.532 1.933 . . . . 0.0 108.793 174.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . 0.252 0.2 OUTLIER -145.12 162.49 13.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 CA-C-O 122.83 1.3 . . . . 0.0 111.002 -169.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -125.51 145.54 50.05 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 128.414 2.686 . . . . 0.0 109.211 -175.259 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.498 HG13 ' HB3' ' A' ' 113' ' ' ALA . 2.9 p -143.18 136.69 25.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 122.925 0.49 . . . . 0.0 110.83 170.18 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -158.38 179.5 34.01 Favored Glycine 0 N--CA 1.466 0.7 0 N-CA-C 117.259 1.664 . . . . 0.0 117.259 178.62 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 29.3 t30 55.34 38.37 30.23 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 126.344 1.857 . . . . 0.0 112.518 -168.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 52.3 tp -87.39 -22.1 25.23 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 127.824 2.45 . . . . 0.0 114.294 -174.126 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 116.52 -171.95 14.01 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 125.13 1.348 . . . . 0.0 112.679 -175.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.3 -6.03 8.75 Favored 'General case' 0 CA--C 1.552 1.038 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 -179.365 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -72.12 64.94 0.56 Allowed 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 125.053 1.341 . . . . 0.0 114.272 -178.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -77.71 41.69 1.94 Allowed Glycine 0 CA--C 1.534 1.226 0 C-N-CA 125.807 1.67 . . . . 0.0 112.036 169.333 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -132.01 100.65 5.13 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 126.52 1.928 . . . . 0.0 108.078 -179.45 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.7 ptmm? -46.09 -28.19 1.14 Allowed 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 116.565 2.061 . . . . 0.0 116.565 -169.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 37.6 m -45.38 -49.18 13.27 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 126.165 1.786 . . . . 0.0 114.802 -170.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -75.97 -46.81 27.72 Favored 'General case' 0 CA--C 1.533 0.304 0 O-C-N 121.328 -0.857 . . . . 0.0 111.964 -177.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.413 HD12 ' N ' ' A' ' 91' ' ' GLU . 3.4 pp -64.4 -29.73 70.78 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 119.19 0.905 . . . . 0.0 112.042 176.738 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.413 ' N ' HD12 ' A' ' 90' ' ' LEU . 27.0 tt0 -67.22 -43.5 81.87 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.818 1.647 . . . . 0.0 111.7 176.547 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.3 ppt_? -68.81 -36.93 78.83 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 119.443 1.019 . . . . 0.0 111.27 169.458 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.14 -37.27 86.54 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 119.337 0.972 . . . . 0.0 111.958 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.419 ' CZ ' HG11 ' A' ' 115' ' ' VAL . 7.4 m-85 -72.75 -65.18 0.83 Allowed 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 125.624 1.57 . . . . 0.0 111.489 172.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.49 -14.79 29.43 Favored Glycine 0 CA--C 1.543 1.824 0 N-CA-C 115.991 1.156 . . . . 0.0 115.991 -178.666 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -54.14 -48.51 70.76 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.729 1.612 . . . . 0.0 111.827 167.692 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -64.91 -49.41 70.55 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.641 0.776 . . . . 0.0 109.44 172.16 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 176.03 166.32 33.22 Favored Glycine 0 N--CA 1.473 1.163 0 N-CA-C 115.741 1.057 . . . . 0.0 115.741 169.126 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -48.89 151.54 5.43 Favored 'Trans proline' 0 CA--C 1.535 0.539 0 C-N-CA 123.981 3.121 . . . . 0.0 117.943 -168.181 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.404 ' CD2' HG23 ' A' ' 115' ' ' VAL . 13.6 mt -116.23 132.88 56.54 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 127.443 2.297 . . . . 0.0 109.68 -170.816 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 85.8 mtm-85 -81.43 -35.84 30.15 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.265 0.626 . . . . 0.0 112.46 170.109 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.7 m -158.52 155.92 29.29 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.742 1.217 . . . . 0.0 112.155 175.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 88.4 t -141.76 134.05 28.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 C-N-CA 125.988 1.715 . . . . 0.0 106.901 169.276 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 80.6 t90 -136.06 133.91 37.89 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 125.252 1.421 . . . . 0.0 109.3 -177.006 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.59 HG12 ' HB1' ' A' ' 113' ' ' ALA . 2.4 m -137.58 143.88 32.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 O-C-N 121.428 -0.795 . . . . 0.0 110.575 179.668 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -80.83 103.09 10.43 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.371 0.669 . . . . 0.0 110.192 179.216 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -64.71 -32.96 74.87 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.846 1.258 . . . . 0.0 111.986 175.083 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -67.83 141.27 94.61 Favored Pre-proline 0 CA--C 1.55 0.943 0 C-N-CA 125.699 1.599 . . . . 0.0 109.035 168.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 0.3 OUTLIER 19.99 68.07 0.0 OUTLIER 'Trans proline' 0 CA--C 1.547 1.154 1 C-N-CA 126.76 4.974 . . . . 0.0 116.878 -172.16 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -68.24 157.12 63.17 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 123.885 3.057 . . . . 0.0 113.355 -169.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 160.61 -26.04 0.29 Allowed Glycine 0 CA--C 1.532 1.131 0 C-N-CA 125.304 1.431 . . . . 0.0 112.986 -173.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . 0.255 0.2 OUTLIER -133.06 175.82 9.04 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.758 1.623 . . . . 0.0 112.843 175.834 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.59 ' HB1' HG12 ' A' ' 105' ' ' VAL . . . -164.68 163.97 21.47 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.922 2.089 . . . . 0.0 111.082 -169.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -133.59 156.78 47.23 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.121 1.369 . . . . 0.0 110.863 -178.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.419 HG11 ' CZ ' ' A' ' 94' ' ' PHE . 0.8 OUTLIER -154.65 151.34 10.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 O-C-N 121.386 -0.821 . . . . 0.0 112.074 -168.708 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 53.4 tt0 -138.45 114.11 9.79 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.026 1.33 . . . . 0.0 109.988 169.142 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -79.68 160.74 26.19 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.634 1.174 . . . . 0.0 113.386 176.393 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -67.28 -31.74 72.26 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.54 0.736 . . . . 0.0 112.706 171.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -129.57 124.88 22.14 Favored Pre-proline 0 CA--C 1.547 0.844 0 C-N-CA 126.144 1.778 . . . . 0.0 109.589 -174.076 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -48.57 -29.89 15.01 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 123.609 2.873 . . . . 0.0 114.85 170.255 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -77.04 -27.6 54.54 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.824 0.85 . . . . 0.0 112.63 175.217 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -68.55 -43.06 77.46 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 120.27 1.396 . . . . 0.0 110.263 168.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.63 -37.46 78.71 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 118.886 -0.578 . . . . 0.0 112.267 169.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.06 -46.31 81.71 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 119.634 1.106 . . . . 0.0 112.823 174.371 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -57.31 -42.12 81.21 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.166 0.894 . . . . 0.0 111.79 174.062 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.511 ' HB1' HD12 ' A' ' 130' ' ' LEU . . . -61.71 -52.83 62.66 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.5 0.72 . . . . 0.0 111.486 172.064 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 38.1 t -58.8 -15.8 7.14 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 126.379 1.872 . . . . 0.0 114.272 175.082 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.76 9.09 12.88 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 125.512 1.525 . . . . 0.0 114.838 178.238 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -135.62 -28.87 1.08 Allowed 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 115.397 1.628 . . . . 0.0 115.397 168.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.511 HD12 ' HB1' ' A' ' 126' ' ' ALA . 96.1 mt -85.5 -9.51 57.33 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.432 1.493 . . . . 0.0 113.216 176.681 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -68.23 162.83 24.13 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.575 1.95 . . . . 0.0 115.99 -175.137 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 41.88 -11.53 0.0 OUTLIER Glycine 0 N--CA 1.478 1.457 2 N-CA-C 124.543 4.577 . . . . 0.0 124.543 168.249 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 48.1 mtm-85 -106.91 -78.09 0.59 Allowed 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 121.087 2.443 . . . . 0.0 110.81 -169.25 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -176.0 176.33 1.79 Allowed 'General case' 0 C--O 1.235 0.313 0 C-N-CA 128.785 2.834 . . . . 0.0 108.727 176.732 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -151.78 -58.27 0.15 Allowed 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.559 0.744 . . . . 0.0 110.767 172.064 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 47.6 t -86.34 -51.21 6.38 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.181 0.593 . . . . 0.0 110.546 173.108 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 160.64 57.19 0.01 OUTLIER Glycine 0 C--N 1.343 0.972 0 N-CA-C 115.841 1.097 . . . . 0.0 115.841 175.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 8.2 t -145.3 -129.39 0.08 Allowed 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.441 1.096 . . . . 0.0 111.894 171.542 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.62 59.07 1.71 Allowed 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 127.223 2.209 . . . . 0.0 109.648 -174.059 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -58.05 159.59 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 C-N-CA 128.312 2.645 . . . . 0.0 113.748 -169.302 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.16 143.84 23.57 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 128.223 2.609 . . . . 0.0 107.492 177.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 95.7 t -142.63 128.81 17.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 N-CA-C 107.853 -1.166 . . . . 0.0 107.853 -169.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -138.54 169.6 17.51 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 119.139 0.881 . . . . 0.0 111.565 -178.39 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -104.82 151.76 23.42 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 120.915 -1.116 . . . . 0.0 111.772 176.401 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.6 p -33.69 97.98 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 128.178 2.591 . . . . 0.0 116.392 -173.06 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -151.0 36.55 0.61 Allowed 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 125.2 1.4 . . . . 0.0 112.181 179.213 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -133.9 -51.09 0.08 OUTLIER Glycine 0 CA--C 1.535 1.318 0 C-N-CA 125.38 1.467 . . . . 0.0 113.599 -176.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -144.11 -59.92 0.39 Allowed 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.924 0.89 . . . . 0.0 111.321 169.27 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . 0.323 0.1 OUTLIER 57.85 166.91 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 129.238 3.015 . . . . 0.0 114.014 -169.127 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 . . . . . 0 C--O 1.253 1.238 0 CA-C-O 117.396 -1.288 . . . . 0.0 110.914 -169.236 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 151' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.025 0 C2'-C3'-O3' 121.944 3.909 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 152' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.687 3 O4'-C1'-N19 114.16 5.96 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.834 3 C3'-C2'-C1' 105.895 4.883 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.864 2 O4'-C1'-N19 113.902 5.702 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ptt? . . . . . 0 N--CA 1.485 1.313 0 N-CA-C 110.713 -0.106 . . . . 0.0 110.713 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -83.43 144.36 29.65 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 120.69 -1.256 . . . . 0.0 112.606 179.328 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.444 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 85.3 m-85 -126.8 156.52 41.14 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 127.791 2.436 . . . . 0.0 108.851 177.678 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -108.89 160.32 16.09 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.965 1.306 . . . . 0.0 111.544 -179.544 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.667 HD22 ' HB3' ' A' ' 30' ' ' PHE . 18.1 tp -141.75 137.77 31.85 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 126.481 1.912 . . . . 0.0 109.442 171.661 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mp -111.93 139.96 33.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 126.128 1.771 . . . . 0.0 107.584 169.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.477 ' HB3' HG21 ' A' ' 39' ' ' VAL . 3.3 mp -123.23 66.96 0.99 Allowed 'General case' 0 N--CA 1.444 -0.748 0 C-N-CA 128.994 2.917 . . . . 0.0 108.214 -177.837 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -60.42 37.08 0.01 OUTLIER 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 126.747 2.019 . . . . 0.0 115.653 174.533 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.42 ' HA3' HG22 ' A' ' 39' ' ' VAL . . . -70.39 96.45 0.56 Allowed Glycine 0 CA--C 1.523 0.569 0 O-C-N 119.992 -1.692 . . . . 0.0 111.857 176.217 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.6 tttm -7.13 -65.98 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 129.235 3.014 . . . . 0.0 116.677 178.126 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 80.1 m -83.7 -23.21 31.77 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -169.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.3 pp -119.37 -24.21 6.44 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 115.59 1.7 . . . . 0.0 115.59 -168.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 0.75 140.39 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.101 1 C-N-CA 133.002 4.521 . . . . 0.0 121.375 -169.502 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -171.86 -158.52 16.14 Favored Glycine 0 CA--C 1.537 1.43 0 N-CA-C 118.778 2.271 . . . . 0.0 118.778 169.125 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -156.77 161.55 39.78 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 126.71 2.004 . . . . 0.0 112.733 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.7 t -160.28 -175.78 5.25 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 126.97 2.108 . . . . 0.0 110.839 -177.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 67.2 p -144.66 170.58 15.81 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 126.313 1.845 . . . . 0.0 111.246 175.521 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.2 t -156.63 150.5 24.88 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.065 0.946 . . . . 0.0 111.621 171.635 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.3 tp10 -76.31 120.01 20.98 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 167.32 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -140.9 175.13 9.86 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.174 1.39 . . . . 0.0 112.972 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 90.0 t -78.7 -47.42 23.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 O-C-N 121.283 -0.885 . . . . 0.0 110.685 169.692 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.444 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 5.2 t70 176.22 -156.48 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 131.184 3.794 . . . . 0.0 106.083 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.76 -20.18 2.02 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 120.937 1.699 . . . . 0.0 114.004 169.605 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.69 -7.93 18.07 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.581 1.152 . . . . 0.0 113.733 172.275 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 52.1 m -138.9 -39.13 0.5 Allowed 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.9 1.68 . . . . 0.0 112.249 176.1 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.86 -39.56 90.87 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.071 1.348 . . . . 0.0 110.86 178.222 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -73.9 2.14 9.2 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 178.072 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.33 19.43 4.83 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 125.101 1.36 . . . . 0.0 111.708 173.448 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.2 t -121.09 -51.95 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 125.285 1.434 . . . . 0.0 109.943 177.496 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.667 ' HB3' HD22 ' A' ' 5' ' ' LEU . 23.3 m-85 -60.72 -28.65 68.83 Favored 'General case' 0 C--O 1.224 -0.247 0 C-N-CA 123.245 0.618 . . . . 0.0 112.585 176.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -54.78 -31.08 58.36 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.482 1.113 . . . . 0.0 113.084 176.06 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -83.94 -49.97 8.47 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.46 0.704 . . . . 0.0 110.825 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -62.46 -40.35 96.35 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.156 0.982 . . . . 0.0 111.736 179.102 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.49 -42.87 95.6 Favored 'General case' 0 N--CA 1.452 -0.351 0 O-C-N 121.19 -0.944 . . . . 0.0 112.549 178.176 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -67.56 -21.08 65.46 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 172.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -82.13 -30.37 31.15 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.428 1.013 . . . . 0.0 112.864 175.654 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -75.31 -43.47 50.68 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 168.396 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.05 3.5 8.18 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 128.753 3.073 . . . . 0.0 114.817 169.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.477 HG21 ' HB3' ' A' ' 7' ' ' LEU . 4.6 t -81.23 140.8 16.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 CA-C-N 118.528 1.164 . . . . 0.0 110.634 -179.58 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -159.54 47.65 0.29 Allowed 'General case' 0 CA--C 1.554 1.1 0 CA-C-O 122.286 1.041 . . . . 0.0 113.131 171.16 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -89.98 -130.29 4.17 Favored Glycine 0 CA--C 1.539 1.56 0 C-N-CA 125.27 1.414 . . . . 0.0 114.668 176.444 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -67.53 82.94 0.17 Allowed 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 124.947 1.299 . . . . 0.0 114.028 -172.57 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -63.34 104.0 0.56 Allowed 'General case' 0 N--CA 1.471 0.579 0 O-C-N 119.907 -1.746 . . . . 0.0 110.747 177.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 64.7 m -128.06 161.42 29.24 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 127.385 2.274 . . . . 0.0 109.46 -169.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -156.07 164.49 38.36 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.854 1.661 . . . . 0.0 110.301 -174.063 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -142.71 153.21 43.15 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.131 1.772 . . . . 0.0 110.205 -173.348 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.416 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -124.83 5.12 8.08 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 -177.388 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -93.15 -29.74 15.59 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.926 1.291 . . . . 0.0 110.486 169.479 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -130.41 -7.87 4.2 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.572 0.952 . . . . 0.0 113.572 -176.23 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.416 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 1.7 mmpt? 60.56 45.52 10.46 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.048 1.739 . . . . 0.0 112.763 179.327 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 72.4 m -119.11 111.76 18.67 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.072 0.949 . . . . 0.0 111.538 -173.451 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -65.37 159.92 23.01 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 122.059 0.933 . . . . 0.0 111.361 168.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.8 m -146.45 150.55 35.83 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 125.35 1.46 . . . . 0.0 108.35 170.596 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.3 p -146.94 122.99 2.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 C-N-CA 126.181 1.793 . . . . 0.0 107.872 173.275 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.8 m -126.53 99.22 5.72 Favored 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -169.111 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.42 146.91 24.97 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.61 0.764 . . . . 0.0 111.108 169.314 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -148.22 -14.63 0.12 Allowed Glycine 0 CA--C 1.536 1.377 0 C-N-CA 125.205 1.383 . . . . 0.0 116.1 174.252 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.5 m -168.0 -11.75 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.237 0 CA-C-N 120.053 1.926 . . . . 0.0 115.503 -179.01 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 54.8 m80 -62.5 -24.6 67.57 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 120.387 1.449 . . . . 0.0 112.94 -178.657 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 28.3 t-80 -61.46 99.08 0.1 Allowed 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.711 1.204 . . . . 0.0 109.45 168.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 19.5 t-80 -55.11 -36.74 66.02 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.107 1.363 . . . . 0.0 113.648 -173.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -84.82 23.44 1.18 Allowed 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.774 1.23 . . . . 0.0 114.069 -172.02 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -53.19 -31.57 43.61 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 121.197 -0.939 . . . . 0.0 112.285 168.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -148.2 148.08 30.13 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.562 1.545 . . . . 0.0 110.517 168.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.5 mtp -176.72 -49.39 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 126.99 2.116 . . . . 0.0 109.285 171.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -158.56 137.78 11.54 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 127.637 2.375 . . . . 0.0 108.511 174.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.86 118.04 7.3 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.206 1.003 . . . . 0.0 108.808 175.6 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.1 p30 -134.88 -40.09 0.77 Allowed 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.333 1.853 . . . . 0.0 111.79 -172.014 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.2 m -159.01 132.11 7.13 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 127.396 2.278 . . . . 0.0 108.889 169.121 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 18.2 p -122.83 144.75 43.6 Favored Pre-proline 0 CA--C 1.549 0.92 0 C-N-CA 124.769 1.228 . . . . 0.0 111.367 -177.551 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.17 -37.61 1.42 Allowed 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 122.608 2.205 . . . . 0.0 113.794 -169.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.57 147.21 27.7 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.253 1.421 . . . . 0.0 113.318 178.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . 0.257 65.4 m-20 -85.02 28.25 0.72 Allowed 'General case' 0 N--CA 1.478 0.926 0 O-C-N 120.421 -1.424 . . . . 0.0 114.635 -171.301 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 77.6 m -65.67 -16.52 63.82 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.621 1.568 . . . . 0.0 112.758 168.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 11.0 ptpp? -58.27 55.07 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 131.085 3.754 . . . . 0.0 116.172 -177.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.7 t -66.37 141.59 17.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 O-C-N 120.763 -1.211 . . . . 0.0 110.677 175.359 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -97.94 156.89 16.41 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 125.039 1.335 . . . . 0.0 110.38 171.632 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -156.25 159.28 2.85 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.272 0 CA-C-O 121.978 0.894 . . . . 0.0 112.355 175.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -151.67 155.07 25.94 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 124.478 1.037 . . . . 0.0 113.215 169.235 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -98.94 -179.05 4.14 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.907 1.683 . . . . 0.0 112.008 -172.259 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -49.61 -17.29 0.3 Allowed 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 128.305 2.642 . . . . 0.0 116.747 -175.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 166.62 -154.15 24.42 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 125.773 1.654 . . . . 0.0 111.614 -171.173 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -67.51 37.98 0.03 OUTLIER 'General case' 0 CA--C 1.557 1.237 0 C-N-CA 126.921 2.089 . . . . 0.0 115.197 174.151 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -142.75 129.89 20.86 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.438 1.895 . . . . 0.0 108.975 174.451 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -153.74 137.82 5.95 Favored Glycine 0 N--CA 1.467 0.762 0 C-N-CA 124.601 1.096 . . . . 0.0 112.859 -173.502 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -155.61 143.88 20.11 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.047 1.739 . . . . 0.0 108.438 173.263 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.3 ptmm? -62.39 -27.47 69.1 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 -179.04 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 32.4 m -47.19 -58.58 3.91 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 125.579 1.552 . . . . 0.0 113.997 -170.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.92 -56.07 17.95 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 122.783 0.433 . . . . 0.0 110.238 -176.334 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.7 pp -64.6 -33.32 75.65 Favored 'General case' 0 C--O 1.218 -0.561 0 O-C-N 123.284 0.365 . . . . 0.0 111.254 -174.109 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -60.99 -46.86 89.03 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 125.509 1.524 . . . . 0.0 112.121 175.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.68 -35.84 75.47 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 119.442 1.019 . . . . 0.0 112.249 171.595 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.61 -38.95 93.07 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 118.872 0.76 . . . . 0.0 112.062 -179.447 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.618 ' HB2' HD11 ' A' ' 100' ' ' LEU . 10.6 m-85 -72.54 -60.67 2.12 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 125.964 1.705 . . . . 0.0 111.742 174.494 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -64.5 -15.07 58.83 Favored Glycine 0 CA--C 1.54 1.646 0 C-N-CA 120.682 -0.77 . . . . 0.0 114.932 -175.537 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -53.44 -46.88 70.03 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.331 1.452 . . . . 0.0 111.822 167.253 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -70.73 -45.93 63.97 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.856 0.862 . . . . 0.0 110.605 174.318 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -175.13 153.88 16.69 Favored Glycine 0 N--CA 1.477 1.407 0 CA-C-O 118.253 -1.304 . . . . 0.0 115.116 171.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -50.4 155.98 4.48 Favored 'Trans proline' 0 CA--C 1.539 0.732 0 C-N-CA 123.416 2.744 . . . . 0.0 116.668 -169.535 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.618 HD11 ' HB2' ' A' ' 94' ' ' PHE . 17.4 mt -118.04 143.34 46.5 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.272 1.829 . . . . 0.0 110.471 -173.502 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 21.4 ttp-105 -100.49 -38.34 8.43 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.795 1.638 . . . . 0.0 111.993 -179.27 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 14.4 m -143.18 147.08 34.33 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 125.194 1.397 . . . . 0.0 110.186 171.476 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.572 ' CG2' HD13 ' A' ' 100' ' ' LEU . 11.2 t -147.36 130.24 8.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 N-CA-C 106.964 -1.495 . . . . 0.0 106.964 175.13 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 87.2 t90 -146.55 145.37 30.11 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 123.904 0.881 . . . . 0.0 111.348 -169.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -143.48 141.04 26.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 O-C-N 121.452 -0.78 . . . . 0.0 108.957 168.512 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -65.42 115.24 5.47 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-O 120.984 0.421 . . . . 0.0 110.865 -172.684 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.4 -16.97 62.42 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 115.835 1.791 . . . . 0.0 115.835 -171.343 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 -101.26 -25.08 0.22 Allowed Pre-proline 0 CA--C 1.557 1.215 0 N-CA-C 114.614 1.339 . . . . 0.0 114.614 -177.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -125.57 59.06 0.0 OUTLIER 'Trans proline' 0 CA--C 1.555 1.529 0 C-N-CA 125.013 3.809 . . . . 0.0 109.147 168.26 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -60.72 132.47 42.95 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 123.465 2.777 . . . . 0.0 112.657 -169.274 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 142.99 -15.05 2.37 Favored Glycine 0 CA--C 1.539 1.562 0 C-N-CA 125.151 1.358 . . . . 0.0 114.032 -172.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -122.8 140.33 53.03 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 128.505 2.722 . . . . 0.0 106.713 177.802 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -146.59 172.99 12.74 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.09 1.356 . . . . 0.0 114.102 -168.069 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -144.76 158.88 43.61 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.949 1.7 . . . . 0.0 113.265 176.333 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.539 HG21 ' CD2' ' A' ' 94' ' ' PHE . 1.4 t -145.06 159.24 13.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 125.481 1.512 . . . . 0.0 112.473 -179.36 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 75.8 tt0 -140.53 104.1 4.68 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 126.701 2.001 . . . . 0.0 109.408 169.359 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.431 ' CZ ' ' HB3' ' A' ' 94' ' ' PHE . 9.3 m-85 -78.87 157.04 28.39 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 -179.444 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -88.25 8.68 26.08 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 126.097 1.759 . . . . 0.0 113.495 173.123 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -159.62 131.61 4.2 Favored Pre-proline 0 CA--C 1.547 0.856 0 O-C-N 120.651 -1.281 . . . . 0.0 111.864 176.366 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_endo -74.93 -28.57 9.19 Favored 'Trans proline' 0 CA--C 1.539 0.728 0 C-N-CA 122.778 2.319 . . . . 0.0 114.212 -175.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . 0.251 0.0 OUTLIER -82.93 -27.3 30.67 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 119.94 1.245 . . . . 0.0 112.527 176.79 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -73.96 -36.19 64.57 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 119.15 0.886 . . . . 0.0 110.504 169.472 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.89 -41.16 95.48 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 118.875 0.761 . . . . 0.0 111.17 169.49 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.84 -44.72 88.86 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.796 -0.565 . . . . 0.0 112.175 173.172 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -62.45 -37.58 86.46 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.09 0.956 . . . . 0.0 112.187 177.053 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.86 -55.49 25.71 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.877 1.271 . . . . 0.0 110.256 172.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 42.3 t -52.87 -30.77 16.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 124.878 1.271 . . . . 0.0 112.946 172.392 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -79.22 -23.53 43.71 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 127.272 2.229 . . . . 0.0 113.387 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -124.97 1.09 8.0 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 -176.48 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 96.1 mt -114.2 13.58 17.99 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.726 1.61 . . . . 0.0 112.731 179.495 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -53.17 156.62 2.16 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 126.302 1.841 . . . . 0.0 115.521 -177.197 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -49.46 -6.0 0.06 OUTLIER Glycine 0 CA--C 1.543 1.782 0 N-CA-C 122.315 3.686 . . . . 0.0 122.315 -168.134 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.416 ' HD2' ' H ' ' A' ' 134' ' ' THR . 1.4 ppt_? -70.95 -39.27 72.71 Favored 'General case' 0 N--CA 1.482 1.155 0 CA-C-N 119.853 1.826 . . . . 0.0 114.702 -173.496 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.416 ' H ' ' HD2' ' A' ' 133' ' ' ARG . 1.3 m 174.55 138.64 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 128.172 2.589 . . . . 0.0 110.111 -175.822 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 49.0 tp -147.14 -58.91 0.27 Allowed 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 126.071 1.748 . . . . 0.0 108.288 168.601 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 75.2 m -70.88 -41.91 70.71 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.387 1.075 . . . . 0.0 112.251 171.358 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 161.0 -2.04 0.08 OUTLIER Glycine 0 CA--C 1.538 1.526 0 N-CA-C 117.715 1.846 . . . . 0.0 117.715 169.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 6.2 t -149.47 -157.12 0.78 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 126.19 1.796 . . . . 0.0 109.129 178.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -41.0 109.63 0.12 Allowed 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 126.86 2.064 . . . . 0.0 110.848 171.148 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 27.5 m -114.96 -178.32 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 124.315 1.046 . . . . 0.0 110.503 169.355 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.89 148.68 32.05 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.651 1.181 . . . . 0.0 109.933 169.74 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 54.0 t -152.08 124.74 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 N-CA-C 105.797 -1.927 . . . . 0.0 105.797 167.4 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -149.79 -160.84 1.23 Allowed 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.196 0.907 . . . . 0.0 110.964 -174.438 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 98.2 mt -120.79 142.97 49.09 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 120.754 -1.216 . . . . 0.0 109.416 172.355 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 22.8 t -40.51 136.42 1.32 Allowed 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 115.699 1.74 . . . . 0.0 115.699 -173.259 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 1.1 t30 68.28 89.19 0.1 Allowed 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 129.601 3.16 . . . . 0.0 113.577 -177.682 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -157.65 -38.97 0.02 OUTLIER Glycine 0 CA--C 1.546 1.977 0 N-CA-C 118.138 2.015 . . . . 0.0 118.138 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -155.7 -174.87 5.15 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-N 119.944 1.872 . . . . 0.0 110.24 -177.218 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . 0.446 0.1 OUTLIER -139.2 56.25 1.68 Allowed 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 117.789 2.514 . . . . 0.0 117.789 169.418 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 39.2 mmt-85 . . . . . 0 C--O 1.252 1.222 0 C-N-CA 128.246 2.618 . . . . 0.0 112.824 178.389 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 151' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.82 2 O4'-C1'-N19 112.648 4.448 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 152' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.292 2 C4'-C3'-C2' 97.377 -5.323 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.144 3 N19-C1'-C2' 124.727 7.079 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.596 2 O4'-C1'-N19 114.417 6.217 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.2 tpp . . . . . 0 N--CA 1.483 1.223 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -81.45 145.85 30.55 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 120.012 1.278 . . . . 0.0 111.949 174.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.433 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 92.5 m-85 -129.58 150.07 51.07 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 127.63 2.372 . . . . 0.0 108.962 179.195 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -101.13 161.97 13.23 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.794 1.238 . . . . 0.0 111.325 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.621 HD22 ' HB3' ' A' ' 30' ' ' PHE . 13.9 tp -142.96 140.18 30.97 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 126.642 1.977 . . . . 0.0 109.859 171.096 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mp -112.96 134.37 55.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.843 1.657 . . . . 0.0 109.204 169.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.3 mp -110.91 66.44 0.63 Allowed 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 127.779 2.432 . . . . 0.0 109.414 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -60.77 89.28 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 124.172 0.989 . . . . 0.0 110.918 169.449 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -146.16 158.61 27.75 Favored Glycine 0 N--CA 1.47 0.941 0 O-C-N 120.828 -1.17 . . . . 0.0 114.561 178.43 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.12 131.21 36.35 Favored 'General case' 0 CA--C 1.504 -0.797 0 C-N-CA 124.968 1.307 . . . . 0.0 114.479 -168.253 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.4 m 61.61 -21.59 0.04 OUTLIER 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 128.571 2.748 . . . . 0.0 114.98 172.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.2 pp -104.38 -40.8 5.95 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 116.111 1.893 . . . . 0.0 116.111 -167.379 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 11.41 147.81 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.05 1 C-N-CA 133.399 4.68 . . . . 0.0 120.886 -168.449 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -168.63 -163.53 22.79 Favored Glycine 0 N--CA 1.473 1.133 0 N-CA-C 119.006 2.363 . . . . 0.0 119.006 169.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -155.6 158.09 37.81 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 126.249 1.82 . . . . 0.0 112.213 174.349 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.0 t -157.73 -177.46 6.59 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 126.639 1.976 . . . . 0.0 110.292 -174.39 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 75.9 p -143.82 169.34 17.97 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.318 1.447 . . . . 0.0 111.11 174.141 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.7 t -154.67 152.58 30.12 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.397 1.079 . . . . 0.0 111.278 172.062 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.2 tp10 -79.94 117.44 20.79 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.795 0.838 . . . . 0.0 108.749 168.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -138.57 178.76 6.9 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.229 1.412 . . . . 0.0 113.363 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.8 t -79.48 -49.0 20.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 O-C-N 121.258 -0.901 . . . . 0.0 110.532 169.445 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.433 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 5.2 t70 176.75 -157.0 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 131.101 3.76 . . . . 0.0 105.8 -179.03 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.86 -19.94 1.99 Allowed 'General case' 0 CA--C 1.549 0.909 0 O-C-N 119.94 -1.725 . . . . 0.0 113.934 169.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.75 -8.18 19.78 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.479 1.112 . . . . 0.0 113.999 172.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.9 m -140.52 -37.17 0.46 Allowed 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.357 1.463 . . . . 0.0 112.239 176.458 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.6 -38.16 86.41 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.639 1.176 . . . . 0.0 110.931 177.489 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -72.91 2.26 7.18 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 114.515 1.302 . . . . 0.0 114.515 178.15 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.422 ' HE3' HG23 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -131.94 18.58 4.6 Favored 'General case' 0 C--O 1.226 -0.18 0 C-N-CA 124.871 1.269 . . . . 0.0 111.793 173.158 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.422 HG23 ' HE3' ' A' ' 28' ' ' LYS . 4.3 t -117.48 -52.1 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 124.799 1.24 . . . . 0.0 110.062 175.661 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.621 ' HB3' HD22 ' A' ' 5' ' ' LEU . 24.3 m-85 -60.67 -28.64 68.76 Favored 'General case' 0 C--O 1.225 -0.2 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.918 178.17 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -54.73 -31.43 58.26 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.206 1.002 . . . . 0.0 112.811 174.337 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -79.77 -53.0 7.21 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 118.729 0.695 . . . . 0.0 110.948 176.352 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -62.51 -42.54 99.58 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.281 1.032 . . . . 0.0 111.822 -175.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.36 -48.33 78.38 Favored 'General case' 0 N--CA 1.45 -0.442 0 O-C-N 121.353 -0.842 . . . . 0.0 112.396 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -67.36 -16.27 64.15 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 176.315 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -83.91 -31.34 25.7 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.314 0.961 . . . . 0.0 112.888 173.508 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 58.8 m-80 -74.16 -37.33 64.02 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 168.136 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 120.35 -3.52 12.47 Favored Glycine 0 N--CA 1.438 -1.194 0 C-N-CA 128.472 2.939 . . . . 0.0 114.096 171.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.8 t -76.86 138.38 20.69 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.764 0 CA-C-N 118.908 1.354 . . . . 0.0 109.417 175.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -157.24 35.44 0.28 Allowed 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 173.658 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.63 -161.16 0.05 OUTLIER Glycine 0 CA--C 1.528 0.876 0 N-CA-C 117.065 1.586 . . . . 0.0 117.065 174.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.97 123.02 15.17 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.607 0.763 . . . . 0.0 109.365 171.571 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 77.1 m95 -90.43 123.43 34.14 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.097 0.959 . . . . 0.0 111.171 -178.261 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.97 162.32 23.64 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 127.77 2.428 . . . . 0.0 110.193 -172.236 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -153.77 168.65 25.57 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.322 1.449 . . . . 0.0 110.533 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -144.87 164.46 31.02 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.114 1.766 . . . . 0.0 110.524 -177.154 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.412 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 22.9 t70 -133.11 -1.95 3.22 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 -179.437 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.07 -28.79 32.18 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.63 -0.669 . . . . 0.0 110.339 169.601 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.5 p -135.09 -12.34 2.18 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.703 1.601 . . . . 0.0 113.08 -172.053 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.412 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 0.8 OUTLIER 63.34 46.92 4.19 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.807 1.643 . . . . 0.0 112.235 177.201 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 74.7 m -116.46 110.63 18.88 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.019 1.328 . . . . 0.0 111.487 -173.049 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -64.57 162.09 16.21 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 122.231 1.015 . . . . 0.0 111.145 168.455 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 24.3 m -147.96 155.78 41.94 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 169.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.5 p -138.6 109.41 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 C-N-CA 125.602 1.561 . . . . 0.0 107.874 170.523 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 98.6 m -114.09 102.67 10.38 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.731 1.212 . . . . 0.0 111.621 -169.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -95.15 140.37 30.17 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 127.216 2.206 . . . . 0.0 112.316 -169.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -157.68 45.61 0.48 Allowed Glycine 0 N--CA 1.47 0.909 0 C-N-CA 125.747 1.641 . . . . 0.0 110.216 174.508 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.4 p 172.54 13.75 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 127.893 2.477 . . . . 0.0 113.734 -169.527 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 63.34 -40.62 0.2 Allowed 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 128.843 2.857 . . . . 0.0 114.865 -169.104 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 83.6 m-70 -141.6 148.19 38.86 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.828 1.651 . . . . 0.0 111.402 178.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 50.3 p-80 -62.67 -28.19 69.76 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.381 -0.825 . . . . 0.0 112.98 169.618 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -65.64 -18.12 65.1 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 170.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -72.9 -11.43 60.58 Favored 'General case' 0 CA--C 1.547 0.841 0 O-C-N 120.91 -1.119 . . . . 0.0 113.092 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 60.5 m80 -58.26 -18.5 27.11 Favored 'General case' 0 N--CA 1.479 1.016 0 O-C-N 119.425 -2.047 . . . . 0.0 113.802 172.383 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -78.96 -1.03 33.42 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 125.938 1.695 . . . . 0.0 114.249 171.617 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 16.2 t-80 -134.83 118.68 17.26 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.857 1.663 . . . . 0.0 111.699 -176.116 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -64.22 -39.24 93.55 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 115.626 1.713 . . . . 0.0 115.626 -172.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -80.27 58.96 3.23 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.614 1.166 . . . . 0.0 112.126 -174.71 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -79.1 64.8 4.1 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.881 1.272 . . . . 0.0 111.713 175.148 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 82.6 m -50.71 -29.57 2.89 Favored Pre-proline 0 CA--C 1.552 1.038 0 N-CA-C 116.577 2.066 . . . . 0.0 116.577 179.277 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -49.0 -38.49 39.34 Favored 'Trans proline' 0 C--N 1.358 1.038 0 C-N-CA 123.036 2.491 . . . . 0.0 115.287 172.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -174.03 141.01 0.74 Allowed 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.066 1.346 . . . . 0.0 112.486 169.687 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -66.62 149.98 49.69 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 167.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 73.1 m -132.11 39.5 3.42 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.29 1.436 . . . . 0.0 111.041 -175.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 58.4 mttp 67.18 154.82 0.1 Allowed 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 127.535 2.334 . . . . 0.0 110.379 -167.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . 0.293 0.5 OUTLIER -124.5 132.68 70.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 CA-C-O 122.731 1.253 . . . . 0.0 111.2 176.565 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -84.59 145.82 27.84 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 126.363 1.865 . . . . 0.0 109.773 176.113 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.573 HG13 ' HB3' ' A' ' 113' ' ' ALA . 1.3 p -143.84 133.72 20.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 121.194 0.521 . . . . 0.0 110.665 170.195 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -156.32 -178.48 30.5 Favored Glycine 0 N--CA 1.469 0.874 0 N-CA-C 116.199 1.24 . . . . 0.0 116.199 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 42.7 t30 41.71 49.63 3.83 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.873 2.069 . . . . 0.0 113.402 -168.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.1 pp -100.21 -175.86 3.06 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 125.421 1.488 . . . . 0.0 110.103 169.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -52.62 149.4 10.49 Favored Glycine 0 CA--C 1.541 1.675 0 O-C-N 121.325 -0.859 . . . . 0.0 114.279 -178.633 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -75.5 35.31 0.12 Allowed 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 125.473 1.509 . . . . 0.0 114.05 -172.26 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -130.99 26.99 4.91 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.842 2.057 . . . . 0.0 110.976 -176.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -30.3 95.65 0.01 OUTLIER Glycine 0 N--CA 1.474 1.208 0 C-N-CA 128.455 2.931 . . . . 0.0 114.769 175.323 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -150.16 145.63 26.4 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 127.572 2.349 . . . . 0.0 106.835 178.336 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.0 ptmm? -59.51 -27.19 65.94 Favored 'General case' 0 C--O 1.22 -0.468 0 N-CA-C 115.239 1.57 . . . . 0.0 115.239 -175.02 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 85.5 m -45.98 -63.97 0.85 Allowed 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 115.769 1.766 . . . . 0.0 115.769 -169.396 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -71.82 -47.79 50.78 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 119.992 1.269 . . . . 0.0 111.136 -176.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.1 pp -60.83 -34.45 74.58 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-N 119.361 0.982 . . . . 0.0 112.211 -179.253 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -64.6 -46.0 84.55 Favored 'General case' 0 C--O 1.236 0.343 0 O-C-N 120.778 -1.202 . . . . 0.0 111.987 175.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.02 -36.55 84.74 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 119.543 1.065 . . . . 0.0 111.902 170.488 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -68.58 -39.76 80.81 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.134 0.974 . . . . 0.0 112.421 -176.154 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.514 ' CE2' HG11 ' A' ' 115' ' ' VAL . 14.6 m-85 -71.26 -61.74 1.66 Allowed 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 125.059 1.344 . . . . 0.0 110.819 173.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -58.7 -18.32 38.12 Favored Glycine 0 CA--C 1.548 2.101 0 N-CA-C 115.486 0.954 . . . . 0.0 115.486 179.419 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -55.85 -50.26 71.08 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.684 1.594 . . . . 0.0 112.559 168.555 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -63.99 -41.67 97.44 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.149 0.58 . . . . 0.0 110.02 173.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 176.25 157.62 17.87 Favored Glycine 0 N--CA 1.475 1.278 0 CA-C-O 118.495 -1.17 . . . . 0.0 114.373 168.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_exo -49.31 130.51 25.08 Favored 'Trans proline' 0 CA--C 1.531 0.349 0 C-N-CA 123.229 2.619 . . . . 0.0 116.455 -169.124 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.526 HD13 ' CG2' ' A' ' 103' ' ' VAL . 18.0 mt -72.88 167.47 20.91 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 113.438 -1.71 . . . . 0.0 111.446 169.621 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -123.64 -23.8 4.66 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.063 1.745 . . . . 0.0 111.834 171.665 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.5 t -161.71 156.97 23.69 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.129 1.372 . . . . 0.0 111.68 168.466 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.526 ' CG2' HD13 ' A' ' 100' ' ' LEU . 60.3 t -145.82 131.99 13.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 126.241 1.816 . . . . 0.0 108.421 178.376 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 90.7 t90 -142.18 143.73 33.08 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.29 1.436 . . . . 0.0 110.988 -176.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -143.29 148.44 19.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 O-C-N 121.114 -0.991 . . . . 0.0 110.496 172.369 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -74.7 153.94 38.65 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 -175.144 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.11 -41.23 64.24 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.714 0.806 . . . . 0.0 112.354 171.639 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -64.21 150.16 93.01 Favored Pre-proline 0 CA--C 1.55 0.951 0 C-N-CA 126.035 1.734 . . . . 0.0 110.41 177.54 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . 0.262 0.1 OUTLIER 0.93 79.02 0.0 OUTLIER 'Trans proline' 0 C--N 1.357 1.01 1 C-N-CA 127.928 5.752 . . . . 0.0 117.103 -169.114 . . . . . . . . 4 3 . 1 . 014 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -68.35 86.8 0.41 Allowed 'Trans proline' 0 C--N 1.355 0.919 0 C-N-CA 124.912 3.741 . . . . 0.0 113.987 -169.015 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -148.58 23.5 1.34 Allowed Glycine 0 CA--C 1.543 1.784 0 C-N-CA 127.156 2.312 . . . . 0.0 112.341 169.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -151.95 148.67 28.03 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 128.957 2.903 . . . . 0.0 108.829 -168.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.573 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -162.18 170.77 18.5 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.031 1.332 . . . . 0.0 112.313 -170.551 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -142.89 145.08 32.75 Favored 'General case' 0 N--CA 1.48 1.038 0 O-C-N 121.468 -0.77 . . . . 0.0 111.741 170.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.514 HG11 ' CE2' ' A' ' 94' ' ' PHE . 32.8 m -138.01 170.08 17.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 CA-C-O 122.214 1.007 . . . . 0.0 113.367 -174.721 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -147.99 128.31 13.9 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 126.11 1.764 . . . . 0.0 108.578 -169.519 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.412 ' CZ ' ' HB3' ' A' ' 94' ' ' PHE . 15.5 m-85 -115.14 153.76 30.2 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 113.294 0.849 . . . . 0.0 113.294 -171.019 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -82.49 -12.37 57.85 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.309 1.044 . . . . 0.0 113.308 -179.429 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -146.63 135.41 11.12 Favored Pre-proline 0 CA--C 1.552 1.02 0 C-N-CA 125.14 1.376 . . . . 0.0 111.664 -173.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -75.4 -29.16 7.89 Favored 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 123.208 2.605 . . . . 0.0 115.338 -171.09 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . 0.263 0.0 OUTLIER -86.46 -26.84 24.46 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 119.91 1.232 . . . . 0.0 112.151 178.168 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -68.66 -43.09 76.92 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 123.313 0.645 . . . . 0.0 109.98 168.506 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.89 -44.28 91.14 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.666 0.787 . . . . 0.0 112.081 170.325 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.94 -43.65 92.02 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 177.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -59.37 -38.98 81.82 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 119.443 1.02 . . . . 0.0 111.87 172.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.48 -54.73 27.9 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 118.123 0.42 . . . . 0.0 110.911 175.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -58.87 -20.29 16.79 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 125.823 1.649 . . . . 0.0 114.247 179.713 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 14.7 ttp85 -103.58 -24.07 13.43 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 126.111 1.764 . . . . 0.0 114.357 -178.639 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -112.16 -24.9 9.59 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 119.695 1.134 . . . . 0.0 113.105 -175.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.411 ' CD1' ' CE1' ' A' ' 94' ' ' PHE . 57.8 mt -70.49 -28.26 64.83 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 119.275 0.943 . . . . 0.0 111.348 168.427 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -68.47 134.53 50.25 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -170.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 59.46 16.02 34.35 Favored Glycine 0 CA--C 1.539 1.535 0 C-N-CA 126.033 1.778 . . . . 0.0 115.354 179.642 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 11.0 ttt-85 -84.81 -66.68 0.87 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 126.31 1.844 . . . . 0.0 113.519 -168.695 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 19.5 m 136.1 131.95 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.215 1 C-N-CA 133.883 4.873 . . . . 0.0 106.873 -172.231 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 15.1 tp -164.27 134.74 4.18 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 106.569 -1.641 . . . . 0.0 106.569 -178.441 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 44.1 t 59.51 -38.47 0.07 Allowed 'General case' 0 CA--C 1.556 1.176 0 C-N-CA 127.159 2.184 . . . . 0.0 114.499 -168.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 148.68 26.37 0.07 OUTLIER Glycine 0 CA--C 1.536 1.358 0 C-N-CA 125.94 1.733 . . . . 0.0 116.965 169.408 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.1 t -141.69 -176.91 4.94 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 119.469 1.634 . . . . 0.0 112.869 176.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -72.19 55.54 0.32 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 129.455 3.102 . . . . 0.0 112.561 -176.486 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 10.8 p -50.22 131.16 9.72 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 C-N-CA 126.589 1.956 . . . . 0.0 111.325 -172.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.91 126.06 35.15 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 126.411 1.884 . . . . 0.0 106.254 -175.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 57.6 t -132.69 135.87 56.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 123.764 0.826 . . . . 0.0 110.399 -167.002 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -143.47 166.76 23.9 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 120.887 -1.133 . . . . 0.0 112.963 -176.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -81.73 134.2 35.43 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 169.097 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.24 155.1 12.01 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 115.501 1.667 . . . . 0.0 115.501 -168.719 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 70.0 m-20 -107.94 0.32 21.87 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.281 1.432 . . . . 0.0 112.725 171.246 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -102.13 -10.5 39.3 Favored Glycine 0 CA--C 1.535 1.33 0 C-N-CA 124.623 1.106 . . . . 0.0 115.084 -174.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -152.17 149.19 28.49 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 118.912 1.356 . . . . 0.0 112.679 -174.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -145.15 154.79 42.81 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 126.186 1.795 . . . . 0.0 111.87 171.285 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.481 1.107 0 C-N-CA 126.245 1.818 . . . . 0.0 111.615 -173.332 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 151' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.971 1 C3'-C2'-C1' 105.579 4.532 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 152' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.974 1 P-O3'-C3' 125.381 4.734 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.493 2 C3'-C2'-C1' 106.28 5.311 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.031 2 O4'-C1'-N19 113.754 5.554 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 mpp? . . . . . 0 N--CA 1.485 1.283 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -90.36 137.82 32.04 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 120.915 -1.116 . . . . 0.0 110.818 175.115 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.457 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 88.0 m-85 -123.31 154.26 39.13 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 127.204 2.202 . . . . 0.0 109.088 -176.56 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -105.35 160.77 14.86 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.221 1.009 . . . . 0.0 111.551 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.503 HD11 ' CD2' ' A' ' 7' ' ' LEU . 1.0 OUTLIER -146.35 135.34 22.54 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 126.429 1.892 . . . . 0.0 110.379 175.566 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.4 mp -114.48 112.26 39.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 126.635 1.974 . . . . 0.0 110.252 172.116 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.503 ' CD2' HD11 ' A' ' 5' ' ' LEU . 82.9 mt -82.81 72.94 9.88 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 126.316 1.847 . . . . 0.0 110.225 169.754 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 41.4 m-20 -62.85 60.08 0.01 OUTLIER 'General case' 0 CA--C 1.564 1.505 0 C-N-CA 125.01 1.324 . . . . 0.0 114.422 172.513 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -94.43 139.38 14.5 Favored Glycine 0 CA--C 1.536 1.38 0 O-C-N 119.696 -1.878 . . . . 0.0 113.377 176.098 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.8 tptm -42.07 -55.89 3.03 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 117.284 2.327 . . . . 0.0 117.284 -167.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 46.1 p -112.44 -0.36 15.32 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.324 1.05 . . . . 0.0 113.527 -169.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.409 HD23 ' H ' ' A' ' 12' ' ' LEU . 2.6 pt? -137.34 -2.24 2.04 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 116.119 1.896 . . . . 0.0 116.119 -168.703 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.37 148.33 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 117.122 2.267 . . . . 0.0 117.122 -169.194 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -163.95 -165.96 22.03 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 116.838 1.495 . . . . 0.0 116.838 169.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -154.13 155.86 36.15 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.466 1.506 . . . . 0.0 111.776 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.9 t -157.78 -173.17 4.24 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 125.853 1.661 . . . . 0.0 109.419 179.177 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 66.6 p -139.5 172.52 12.68 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.209 1.403 . . . . 0.0 110.514 175.423 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.626 HG21 ' CG1' ' A' ' 29' ' ' VAL . 4.5 t -157.17 149.77 23.25 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.192 0.997 . . . . 0.0 110.805 177.132 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.3 tp10 -80.29 114.36 19.14 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 169.184 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -132.36 177.18 7.79 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.724 1.609 . . . . 0.0 112.838 178.297 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.7 t -86.9 -37.23 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 O-C-N 121.172 -0.955 . . . . 0.0 111.928 172.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.457 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 3.8 t70 174.54 -157.16 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 130.865 3.666 . . . . 0.0 106.882 173.47 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.8 -22.49 2.18 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 120.408 1.458 . . . . 0.0 113.864 169.234 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.6 -6.69 21.39 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.279 1.432 . . . . 0.0 113.742 175.216 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 53.4 m -138.81 -33.81 0.63 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.639 1.576 . . . . 0.0 112.428 176.204 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.413 ' HA ' HG12 ' A' ' 29' ' ' VAL . . . -66.93 -35.32 79.74 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 124.679 1.192 . . . . 0.0 110.847 175.073 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -76.16 4.65 8.17 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 114.754 1.39 . . . . 0.0 114.754 177.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.44 17.91 4.39 Favored 'General case' 0 N--CA 1.463 0.198 0 O-C-N 120.309 -1.494 . . . . 0.0 112.022 174.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.626 ' CG1' HG21 ' A' ' 18' ' ' THR . 3.9 p -126.54 -41.05 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.185 0.994 . . . . 0.0 112.352 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.44 ' CZ ' HG22 ' A' ' 18' ' ' THR . 23.5 m-85 -64.39 -27.23 68.87 Favored 'General case' 0 C--O 1.226 -0.184 0 C-N-CA 123.277 0.631 . . . . 0.0 112.412 170.041 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -56.54 -31.16 63.89 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.952 1.301 . . . . 0.0 112.752 173.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -77.62 -51.27 10.92 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 118.506 0.594 . . . . 0.0 111.034 176.622 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -59.99 -42.56 94.49 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.41 1.084 . . . . 0.0 111.97 179.321 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.07 -49.26 78.57 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 124.03 0.932 . . . . 0.0 112.142 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 -71.04 -19.0 62.54 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 178.276 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -80.9 -30.15 35.51 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 173.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -78.36 -44.04 26.11 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 168.35 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 121.71 13.95 4.93 Favored Glycine 0 CA--C 1.538 1.486 0 C-N-CA 128.673 3.035 . . . . 0.0 115.363 170.003 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 44.4 t -86.73 148.68 4.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 125.31 1.444 . . . . 0.0 111.515 173.096 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -164.58 58.38 0.14 Allowed 'General case' 0 CA--C 1.555 1.161 0 CA-C-O 122.709 1.242 . . . . 0.0 111.957 168.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.79 -140.99 5.76 Favored Glycine 0 CA--C 1.547 2.071 0 C-N-CA 126.679 2.085 . . . . 0.0 116.527 179.184 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -70.72 88.66 0.72 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 125.85 1.66 . . . . 0.0 112.948 -177.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 81.8 m95 -62.55 111.98 2.29 Favored 'General case' 0 N--CA 1.467 0.383 0 O-C-N 119.911 -1.743 . . . . 0.0 110.418 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -126.67 163.05 24.33 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 126.641 1.977 . . . . 0.0 110.907 -172.273 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -147.32 168.5 21.62 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.345 1.058 . . . . 0.0 111.797 177.214 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -142.41 128.24 19.38 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 127.319 2.247 . . . . 0.0 107.437 -177.392 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.516 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -105.33 3.31 29.71 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.759 1.392 . . . . 0.0 114.759 -177.837 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -92.43 -29.07 16.47 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.096 1.358 . . . . 0.0 110.425 169.658 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.2 p -125.4 -10.47 6.91 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -174.628 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.516 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 2.6 mmpt? 61.13 42.54 12.2 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.357 1.463 . . . . 0.0 112.479 178.074 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 81.1 m -117.73 110.91 18.42 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.859 1.664 . . . . 0.0 111.601 -174.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -67.51 159.69 29.17 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 121.924 0.868 . . . . 0.0 111.002 168.569 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.9 m -146.16 159.48 43.25 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.122 1.369 . . . . 0.0 108.37 170.608 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.475 ' CG1' HD23 ' A' ' 7' ' ' LEU 0.265 7.6 p -152.75 76.96 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 CA-C-O 123.077 1.418 . . . . 0.0 111.72 177.79 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.1 m -73.49 112.9 10.01 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.019 1.328 . . . . 0.0 111.822 -179.537 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -75.8 -45.97 33.16 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 177.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 66.24 -25.0 0.16 Allowed Glycine 0 CA--C 1.543 1.814 0 C-N-CA 126.671 2.081 . . . . 0.0 117.377 -178.652 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.4 -179.92 1.14 Allowed 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.902 1.681 . . . . 0.0 114.976 -170.587 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -58.62 -27.94 65.17 Favored 'General case' 0 CA--C 1.549 0.919 0 O-C-N 120.663 -1.273 . . . . 0.0 113.786 169.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.43 ' CD2' ' H ' ' A' ' 61' ' ' HIS . 34.8 t60 60.82 175.41 0.1 Allowed 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 126.879 2.072 . . . . 0.0 113.17 -168.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.43 ' H ' ' CD2' ' A' ' 60' ' ' HIS . 73.8 t60 -140.17 -56.06 0.54 Allowed 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 115.004 1.483 . . . . 0.0 115.004 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.4 ' CD2' HH12 ' A' ' 67' ' ' ARG 0.286 0.1 OUTLIER 35.98 5.25 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 120.36 3.467 . . . . 0.0 120.36 -171.717 . . . . . . . . 4 4 . 1 . 015 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 58.8 -14.45 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 128.962 2.905 . . . . 0.0 117.114 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 44.7 p-80 -117.51 157.75 25.76 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 120.377 1.444 . . . . 0.0 113.864 -172.614 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.64 29.61 1.24 Allowed 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 126.368 1.867 . . . . 0.0 111.588 -169.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 16.1 m170 -84.1 1.34 44.59 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 125.691 1.597 . . . . 0.0 114.535 -170.035 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.4 HH12 ' CD2' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -147.63 40.48 1.0 Allowed 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 125.756 1.622 . . . . 0.0 112.24 -170.936 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -124.26 18.94 9.05 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.43 1.492 . . . . 0.0 114.439 -167.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 20.2 m -149.88 159.72 44.15 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.538 1.535 . . . . 0.0 111.664 174.49 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.602 ' H ' ' HD2' ' A' ' 71' ' ' PRO . 46.1 t -152.75 -46.85 0.01 OUTLIER Pre-proline 0 CA--C 1.552 1.052 0 C-N-CA 125.087 1.355 . . . . 0.0 114.381 -175.59 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.602 ' HD2' ' H ' ' A' ' 70' ' ' CYS . 60.0 Cg_endo -70.36 98.22 0.73 Allowed 'Trans proline' 0 C--N 1.358 1.028 0 C-N-CA 122.551 2.167 . . . . 0.0 111.369 177.299 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -57.96 -50.36 73.64 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.609 1.564 . . . . 0.0 112.093 -173.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -159.44 170.53 21.55 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.761 1.624 . . . . 0.0 110.6 172.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 4.3 p -158.08 16.63 0.23 Allowed 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 126.215 1.806 . . . . 0.0 113.517 -174.096 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 46.2 mttp -68.95 141.3 55.01 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.205 1.402 . . . . 0.0 111.163 171.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -140.81 139.46 34.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 CA-C-O 122.661 1.219 . . . . 0.0 111.099 178.168 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -82.29 149.1 27.97 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 128.155 2.582 . . . . 0.0 110.199 175.626 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.549 HG13 ' HB3' ' A' ' 113' ' ' ALA . 0.5 OUTLIER -149.44 151.84 12.52 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 CA-C-O 122.729 1.252 . . . . 0.0 113.652 171.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.479 ' HA2' ' HA ' ' A' ' 112' ' ' PHE . . . -137.79 157.67 24.29 Favored Glycine 0 CA--C 1.53 1.031 0 C-N-CA 126.136 1.826 . . . . 0.0 112.068 168.709 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -159.02 161.01 36.55 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.009 1.324 . . . . 0.0 112.137 -167.773 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.5 tp 33.48 -69.1 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 130.591 3.556 . . . . 0.0 117.586 -173.316 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 169.06 -38.73 0.21 Allowed Glycine 0 CA--C 1.533 1.163 0 C-N-CA 126.787 2.137 . . . . 0.0 111.757 -172.549 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -152.7 1.75 0.31 Allowed 'General case' 0 CA--C 1.551 1.012 0 N-CA-C 116.595 2.072 . . . . 0.0 116.595 -177.42 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -79.35 163.03 25.19 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 120.855 1.661 . . . . 0.0 113.642 -179.294 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -162.23 70.26 0.22 Allowed Glycine 0 N--CA 1.47 0.937 0 O-C-N 121.02 -1.05 . . . . 0.0 112.545 -173.599 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -137.87 135.88 36.58 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.642 1.577 . . . . 0.0 109.072 170.336 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.5 pttp -70.52 -19.13 62.94 Favored 'General case' 0 C--O 1.22 -0.494 0 N-CA-C 116.08 1.882 . . . . 0.0 116.08 -172.452 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 46.5 m -43.11 -62.59 1.0 Allowed 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 120.568 1.531 . . . . 0.0 114.497 -169.281 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.04 -55.47 16.47 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 -175.455 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.461 HD12 ' N ' ' A' ' 91' ' ' GLU . 3.3 pp -63.6 -33.77 76.35 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 123.437 0.461 . . . . 0.0 112.178 -173.026 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.461 ' N ' HD12 ' A' ' 90' ' ' LEU . 41.4 tt0 -64.57 -48.45 74.94 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 125.151 1.38 . . . . 0.0 111.169 178.443 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.78 -32.89 71.62 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 119.04 -1.064 . . . . 0.0 112.152 172.755 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.44 98.24 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.728 0.811 . . . . 0.0 111.695 178.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.513 ' HB2' HD11 ' A' ' 100' ' ' LEU . 8.9 m-85 -69.79 -64.16 0.94 Allowed 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 125.268 1.427 . . . . 0.0 111.729 172.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -57.22 -18.57 28.65 Favored Glycine 0 CA--C 1.548 2.116 0 N-CA-C 115.444 0.938 . . . . 0.0 115.444 -176.033 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -55.84 -49.42 73.36 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 126.293 1.837 . . . . 0.0 112.946 168.034 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -64.88 -42.46 94.78 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.387 0.675 . . . . 0.0 110.224 174.126 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 179.77 162.44 28.76 Favored Glycine 0 N--CA 1.476 1.301 0 CA-C-O 118.724 -1.042 . . . . 0.0 113.958 169.257 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -58.26 139.32 90.08 Favored 'Trans proline' 0 CA--C 1.532 0.417 0 CA-C-N 120.745 2.273 . . . . 0.0 114.976 -168.539 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.597 HD13 ' CG2' ' A' ' 103' ' ' VAL . 16.3 mt -85.89 150.1 24.76 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.786 1.634 . . . . 0.0 111.561 175.488 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -96.75 -33.67 11.62 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.494 1.118 . . . . 0.0 111.802 169.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.7 m -156.37 154.32 30.36 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.126 1.371 . . . . 0.0 112.193 172.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.597 ' CG2' HD13 ' A' ' 100' ' ' LEU . 73.5 t -139.6 137.13 40.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 125.786 1.634 . . . . 0.0 109.35 173.502 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 87.7 t90 -141.93 148.15 38.2 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 126.082 1.753 . . . . 0.0 110.553 -175.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 8.0 m -143.24 151.82 16.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 125.138 1.375 . . . . 0.0 108.656 173.675 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.36 143.59 50.16 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-O 122.021 0.915 . . . . 0.0 113.144 -172.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 13.2 ptt85 -55.53 -10.5 0.67 Allowed 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 129.03 2.932 . . . . 0.0 117.783 -174.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -153.61 142.2 14.33 Favored Pre-proline 0 CA--C 1.545 0.783 0 C-N-CA 125.954 1.702 . . . . 0.0 110.659 -175.759 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -26.25 90.36 0.01 OUTLIER 'Trans proline' 0 CA--C 1.546 1.106 1 C-N-CA 128.061 5.84 . . . . 0.0 118.259 -169.487 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -106.56 -37.64 0.01 OUTLIER 'Trans proline' 0 CA--C 1.542 0.908 0 C-N-CA 122.672 2.248 . . . . 0.0 115.376 -171.502 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 65.76 30.19 76.72 Favored Glycine 0 N--CA 1.478 1.482 0 N-CA-C 110.293 -1.123 . . . . 0.0 110.293 -168.135 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.479 ' HA ' ' HA2' ' A' ' 79' ' ' GLY . 0.0 OUTLIER -157.49 156.49 32.17 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.04 1.736 . . . . 0.0 110.351 -166.496 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.549 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -167.25 173.28 9.11 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.165 1.386 . . . . 0.0 112.932 -167.659 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -147.58 147.84 30.49 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 172.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.458 HG11 ' CE2' ' A' ' 94' ' ' PHE . 21.7 m -141.99 171.54 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 124.395 1.078 . . . . 0.0 113.053 -175.331 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -144.6 124.05 13.14 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 125.092 1.357 . . . . 0.0 109.229 169.275 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.445 ' HA ' ' HA ' ' A' ' 100' ' ' LEU . 41.1 m-85 -78.39 165.32 23.95 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 174.71 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 22.7 tp10 -70.24 -16.41 63.04 Favored 'General case' 0 CA--C 1.548 0.867 0 O-C-N 120.931 -1.106 . . . . 0.0 112.561 170.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -155.93 158.03 31.54 Favored Pre-proline 0 CA--C 1.555 1.144 0 O-C-N 120.783 -1.198 . . . . 0.0 113.346 176.185 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -68.05 -29.24 34.02 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 124.305 3.337 . . . . 0.0 113.924 -178.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.1 ttp85 -63.1 -43.4 98.58 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 120.506 1.503 . . . . 0.0 110.832 174.271 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -66.83 -43.51 83.55 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 178.35 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.9 -41.83 96.83 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 171.36 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.48 -39.23 91.7 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.609 0.764 . . . . 0.0 112.475 178.254 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -66.1 -41.46 90.56 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-O 123.004 1.383 . . . . 0.0 111.718 176.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.44 ' HB1' HD12 ' A' ' 130' ' ' LEU . . . -60.62 -56.79 17.14 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 114.917 -1.038 . . . . 0.0 110.672 171.257 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 54.7 t -57.19 -27.32 27.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 125.412 1.485 . . . . 0.0 113.293 174.439 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 55.0 ttp85 -67.59 -42.16 82.93 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.549 1.54 . . . . 0.0 110.751 -179.311 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -129.96 -15.54 3.81 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 118.78 2.882 . . . . 0.0 118.78 -176.381 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.477 ' HB3' HG21 ' A' ' 142' ' ' VAL . 29.1 mt -66.91 -28.53 68.39 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 121.469 1.941 . . . . 0.0 113.38 175.381 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -60.18 134.56 57.17 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.882 1.273 . . . . 0.0 114.02 -174.004 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 66.73 -20.12 0.2 Allowed Glycine 0 CA--C 1.541 1.688 0 N-CA-C 119.683 2.633 . . . . 0.0 119.683 169.259 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 22.2 ptt180 -65.35 -53.15 47.73 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 117.401 2.371 . . . . 0.0 117.401 -167.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 4.5 m 147.66 127.54 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 131.255 3.822 . . . . 0.0 109.339 -170.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.3 tp -168.38 137.94 2.42 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 103.591 -2.744 . . . . 0.0 103.591 -179.062 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 67.8 m 67.25 -27.16 0.13 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 126.456 1.903 . . . . 0.0 112.663 -167.232 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 145.71 -8.16 1.54 Allowed Glycine 0 CA--C 1.534 1.239 0 N-CA-C 118.145 2.018 . . . . 0.0 118.145 168.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 13.0 t -156.6 -136.85 0.05 Allowed 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 119.819 1.809 . . . . 0.0 110.831 -169.584 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -47.31 116.72 1.5 Allowed 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 127.972 2.509 . . . . 0.0 111.511 178.663 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 61.7 t -116.68 162.55 14.58 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 124.916 1.286 . . . . 0.0 111.163 170.45 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.22 143.27 25.8 Favored 'General case' 0 C--O 1.221 -0.414 0 C-N-CA 127.449 2.3 . . . . 0.0 107.411 168.609 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.477 HG21 ' HB3' ' A' ' 130' ' ' LEU . 92.5 t -150.39 129.21 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 N-CA-C 107.189 -1.411 . . . . 0.0 107.189 169.071 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -147.63 159.3 43.93 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 119.511 1.05 . . . . 0.0 110.977 176.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 10.6 tp -68.82 137.81 54.26 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 120.047 -1.658 . . . . 0.0 109.605 173.263 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.39 115.51 5.18 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 121.698 0.761 . . . . 0.0 112.18 -171.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -139.64 25.2 2.4 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 127.635 2.374 . . . . 0.0 111.056 -169.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -148.18 155.02 26.23 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 124.608 1.099 . . . . 0.0 112.846 174.329 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -166.22 166.7 16.7 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 126.707 2.003 . . . . 0.0 109.496 177.351 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -147.21 165.68 29.3 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.365 1.066 . . . . 0.0 113.278 177.428 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.258 0 C-N-CA 126.648 1.979 . . . . 0.0 112.14 -179.036 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 151' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.228 1 C3'-C2'-C1' 105.174 4.082 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 152' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.549 2.103 1 P-O3'-C3' 125.134 4.528 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.576 -2.565 1 C3'-C2'-C1' 105.597 4.552 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.618 2 O4'-C1'-N19 112.792 4.592 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.8 mmt . . . . . 0 N--CA 1.484 1.261 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -90.09 140.21 29.87 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.017 -1.052 . . . . 0.0 111.389 173.082 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.453 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 88.1 m-85 -125.16 154.47 41.46 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 127.164 2.186 . . . . 0.0 108.385 -177.315 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -107.76 161.0 15.29 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.325 1.05 . . . . 0.0 111.267 -178.044 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.597 HD21 HD21 ' A' ' 7' ' ' LEU . 18.2 tp -142.64 139.42 31.25 Favored 'General case' 0 C--N 1.333 -0.116 0 C-N-CA 126.197 1.799 . . . . 0.0 110.462 173.283 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mp -113.87 142.05 27.8 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 C-N-CA 126.338 1.855 . . . . 0.0 107.157 169.102 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.597 HD21 HD21 ' A' ' 5' ' ' LEU . 79.5 mt -117.69 62.03 0.75 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 128.182 2.593 . . . . 0.0 109.337 176.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -56.01 91.04 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 124.407 1.083 . . . . 0.0 113.497 175.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -120.79 176.73 16.3 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 121.166 -0.958 . . . . 0.0 113.543 169.322 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.97 -48.94 78.47 Favored 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 115.439 1.644 . . . . 0.0 115.439 -169.536 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.7 m -134.05 -26.93 1.47 Allowed 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.517 0.727 . . . . 0.0 112.839 -173.35 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.677 ' H ' HD23 ' A' ' 12' ' ' LEU . 2.7 pt? -88.36 -6.62 57.61 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 115.624 1.713 . . . . 0.0 115.624 -175.607 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.413 ' H ' ' HE2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -42.25 148.26 0.21 Allowed 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 116.08 1.881 . . . . 0.0 116.08 -168.766 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -168.08 -163.8 22.65 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 117.306 1.682 . . . . 0.0 117.306 170.121 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -153.77 158.33 40.76 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.961 1.304 . . . . 0.0 112.739 -178.036 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.2 t -159.62 -175.13 4.99 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 126.553 1.941 . . . . 0.0 110.125 -175.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 69.9 p -142.28 172.16 13.07 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.786 1.635 . . . . 0.0 111.195 175.546 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.9 t -157.0 150.55 24.34 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.299 -0.876 . . . . 0.0 110.878 171.357 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.2 tp10 -78.71 113.64 16.95 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 169.176 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.06 175.3 9.5 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.697 1.599 . . . . 0.0 112.685 -178.169 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 47.0 t -84.14 -38.53 13.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 O-C-N 121.352 -0.842 . . . . 0.0 111.661 170.496 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.453 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 2.8 t70 174.55 -155.97 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 131.139 3.776 . . . . 0.0 106.854 173.345 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.34 -21.61 2.34 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 120.639 1.563 . . . . 0.0 114.165 169.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.76 -6.54 16.36 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.194 1.398 . . . . 0.0 113.825 173.385 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 22.0 m -137.72 -37.17 0.61 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.688 1.595 . . . . 0.0 111.966 174.384 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.01 -41.65 90.72 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.902 1.281 . . . . 0.0 110.946 177.321 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -77.26 6.28 7.0 Favored 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 114.26 1.207 . . . . 0.0 114.26 179.659 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.35 14.8 6.66 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.436 1.494 . . . . 0.0 111.893 169.745 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 t -115.06 -51.25 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 125.342 1.457 . . . . 0.0 110.024 173.014 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.478 ' HB3' HD22 ' A' ' 5' ' ' LEU . 23.2 m-85 -62.37 -26.52 68.5 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -58.63 -28.09 65.33 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.276 1.031 . . . . 0.0 113.219 175.489 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -82.3 -53.39 6.08 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 123.207 0.603 . . . . 0.0 109.887 177.26 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -57.81 -41.62 82.56 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.128 0.971 . . . . 0.0 112.216 -179.523 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.75 -52.56 64.54 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 123.695 0.798 . . . . 0.0 111.823 175.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -66.09 -22.2 66.4 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.097 0.959 . . . . 0.0 113.527 176.191 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -77.7 -30.37 51.81 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 119.321 0.964 . . . . 0.0 112.587 174.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -79.38 -38.51 34.78 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 168.501 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 118.9 4.11 12.98 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 128.706 3.051 . . . . 0.0 114.739 170.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 48.7 t -77.88 143.83 12.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 CA-C-N 118.462 1.131 . . . . 0.0 110.621 171.334 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -162.24 54.31 0.23 Allowed 'General case' 0 CA--C 1.547 0.832 0 CA-C-O 122.421 1.105 . . . . 0.0 112.032 168.341 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -74.32 -158.21 5.74 Favored Glycine 0 CA--C 1.539 1.585 0 C-N-CA 124.71 1.147 . . . . 0.0 115.552 175.4 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -65.09 130.22 42.56 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 121.221 -1.164 . . . . 0.0 109.59 170.649 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 80.0 m95 -89.53 139.47 30.5 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.662 1.185 . . . . 0.0 110.715 177.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -139.69 157.38 45.87 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 127.323 2.249 . . . . 0.0 108.895 -177.728 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -153.91 165.2 36.86 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.509 1.523 . . . . 0.0 109.776 -177.415 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -140.8 170.29 16.03 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.574 1.15 . . . . 0.0 112.532 -179.489 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.435 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 21.4 t70 -131.8 -4.6 3.62 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 115.121 1.526 . . . . 0.0 115.121 178.797 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.66 -27.77 31.11 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.425 0.69 . . . . 0.0 109.686 168.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 25.8 p -132.38 -12.67 3.1 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.602 1.561 . . . . 0.0 113.58 -170.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.435 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 2.6 mmpt? 56.1 39.48 30.38 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.297 1.439 . . . . 0.0 112.815 176.431 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 52.6 m -116.36 114.23 24.01 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 125.7 1.6 . . . . 0.0 110.272 -172.079 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -67.33 157.97 32.71 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 124.291 1.036 . . . . 0.0 111.18 169.23 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.1 m -151.11 129.22 11.85 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 107.346 -1.353 . . . . 0.0 107.346 171.492 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.444 HG12 HD23 ' A' ' 7' ' ' LEU . 9.5 p -113.56 132.76 61.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 123.863 0.865 . . . . 0.0 108.743 170.003 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 57.7 m -120.29 95.6 4.81 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.948 0.899 . . . . 0.0 111.625 -169.112 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -52.72 -36.75 58.05 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 126.687 1.995 . . . . 0.0 114.593 -170.211 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.94 -0.77 36.02 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 124.495 1.045 . . . . 0.0 114.905 -177.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 21.3 t -144.77 159.99 41.97 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.276 1.43 . . . . 0.0 111.689 -175.62 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -134.85 17.92 3.52 Favored 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 129.454 3.102 . . . . 0.0 110.429 171.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 7.7 t60 67.0 -32.78 0.19 Allowed 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 129.613 3.165 . . . . 0.0 117.315 179.472 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 78.2 m80 -76.41 32.1 0.13 Allowed 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 126.46 1.904 . . . . 0.0 115.014 -170.324 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 60.9 m-70 -92.41 -1.29 57.11 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 115.384 1.624 . . . . 0.0 115.384 -169.022 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 74.3 m80 49.68 36.19 10.26 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.774 1.63 . . . . 0.0 113.896 172.122 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -62.2 168.76 3.17 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.222 1.809 . . . . 0.0 115.203 -174.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.59 37.9 1.84 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.882 1.273 . . . . 0.0 110.366 169.417 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 15.6 t-80 -160.17 178.25 9.85 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 127.068 2.147 . . . . 0.0 109.851 172.403 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.47 35.47 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 129.193 2.997 . . . . 0.0 113.426 173.017 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -115.5 149.1 38.65 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 119.621 -1.924 . . . . 0.0 113.755 -168.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 68.7 p -150.64 99.35 2.73 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.791 1.237 . . . . 0.0 111.161 -176.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 28.1 p -147.4 154.83 45.82 Favored Pre-proline 0 CA--C 1.546 0.8 0 C-N-CA 126.878 2.071 . . . . 0.0 109.093 179.492 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -55.21 -42.4 69.07 Favored 'Trans proline' 0 C--N 1.353 0.814 0 C-N-CA 123.248 2.632 . . . . 0.0 112.778 -172.338 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.1 mt -162.56 143.55 10.1 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 129.087 2.955 . . . . 0.0 106.284 168.111 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -72.04 156.9 38.71 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-O 121.289 0.566 . . . . 0.0 111.276 171.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.6 t -110.11 -16.68 13.73 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.682 1.193 . . . . 0.0 112.234 -177.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -82.22 154.93 25.17 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.061 1.344 . . . . 0.0 111.106 169.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.2 t -139.55 127.73 26.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 C-N-CA 126.642 1.977 . . . . 0.0 108.395 -174.679 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -78.87 147.59 33.1 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 123.387 0.675 . . . . 0.0 109.476 169.626 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.404 HG13 ' HB3' ' A' ' 113' ' ' ALA . 1.4 p -149.68 148.5 15.46 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.332 0 CA-C-N 118.958 0.799 . . . . 0.0 112.223 169.595 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -128.86 97.75 0.43 Allowed Glycine 0 CA--C 1.535 1.282 0 N-CA-C 110.09 -1.204 . . . . 0.0 110.09 169.189 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -75.32 129.1 36.84 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 127.398 2.279 . . . . 0.0 114.313 -169.233 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 50.7 tp 58.57 -59.13 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 129.327 3.051 . . . . 0.0 114.439 178.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 154.66 -45.43 0.55 Allowed Glycine 0 CA--C 1.533 1.172 0 C-N-CA 129.115 3.245 . . . . 0.0 109.672 -178.45 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -139.85 35.86 1.97 Allowed 'General case' 0 CA--C 1.558 1.282 0 C-N-CA 125.342 1.457 . . . . 0.0 113.751 -172.168 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 37.5 t-20 -150.6 122.84 8.34 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 120.287 -1.508 . . . . 0.0 113.956 170.494 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -99.0 78.37 0.53 Allowed Glycine 0 CA--C 1.533 1.159 0 C-N-CA 125.408 1.48 . . . . 0.0 111.298 174.005 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -117.36 -2.69 11.52 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 116.112 1.893 . . . . 0.0 116.112 -169.668 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 10.1 ptmm? 46.83 -36.74 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 121.66 3.948 . . . . 0.0 121.66 -178.464 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 25.9 m -47.73 -52.76 17.3 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 121.743 2.065 . . . . 0.0 116.034 -168.413 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -77.74 -41.01 39.15 Favored 'General case' 0 CA--C 1.53 0.204 0 O-C-N 121.087 -1.008 . . . . 0.0 111.033 -177.228 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.412 HD12 ' N ' ' A' ' 91' ' ' GLU . 3.2 pp -60.68 -32.93 72.12 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 120.487 1.494 . . . . 0.0 112.037 175.198 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.412 ' N ' HD12 ' A' ' 90' ' ' LEU . 24.3 tt0 -61.84 -48.73 79.23 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.755 1.222 . . . . 0.0 111.745 175.744 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.6 ppt_? -67.86 -35.24 78.19 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 119.19 0.905 . . . . 0.0 112.762 170.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.13 -48.85 79.7 Favored 'General case' 0 C--O 1.22 -0.456 0 C-N-CA 124.34 1.056 . . . . 0.0 111.182 -179.571 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.423 ' HB3' ' CZ ' ' A' ' 117' ' ' PHE . 12.5 m-85 -62.63 -63.13 1.31 Allowed 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 124.929 1.292 . . . . 0.0 111.525 174.768 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -57.33 -21.66 41.38 Favored Glycine 0 CA--C 1.547 2.052 0 N-CA-C 115.689 1.036 . . . . 0.0 115.689 -177.157 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -57.61 -53.48 57.69 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.706 1.603 . . . . 0.0 113.139 169.417 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -66.89 -37.44 84.39 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 118.69 0.677 . . . . 0.0 111.124 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -171.41 161.65 34.09 Favored Glycine 0 N--CA 1.476 1.356 0 CA-C-O 118.197 -1.335 . . . . 0.0 112.623 169.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -69.02 135.54 32.5 Favored 'Trans proline' 0 CA--C 1.535 0.531 0 CA-C-N 121.803 2.801 . . . . 0.0 114.517 -169.456 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.419 ' HA ' ' HA ' ' A' ' 117' ' ' PHE . 16.7 mt -74.58 164.94 26.01 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.226 1.81 . . . . 0.0 113.25 175.138 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 32.9 ttp-105 -124.8 -28.73 3.48 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 125.97 1.708 . . . . 0.0 112.244 169.334 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 17.1 t -153.5 150.19 28.48 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.535 1.134 . . . . 0.0 111.537 170.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.415 ' CG2' HD13 ' A' ' 100' ' ' LEU . 85.3 t -139.65 131.04 33.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 125.313 1.445 . . . . 0.0 108.847 174.48 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 86.2 t90 -142.21 148.31 37.97 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.112 1.365 . . . . 0.0 110.632 -178.214 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 24.4 m -144.56 159.17 14.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 C-N-CA 126.316 1.847 . . . . 0.0 107.941 175.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -79.02 46.5 0.7 Allowed 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 115.581 1.697 . . . . 0.0 115.581 -171.139 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 39.94 20.2 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 130.572 3.549 . . . . 0.0 118.957 168.291 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -169.74 -175.22 0.34 Allowed Pre-proline 0 CA--C 1.561 1.395 0 C-N-CA 127.287 2.235 . . . . 0.0 109.546 -169.744 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -56.31 -13.62 10.39 Favored 'Trans proline' 0 CA--C 1.554 1.485 0 C-N-CA 124.921 3.747 . . . . 0.0 121.764 175.221 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_exo -51.32 -22.51 11.83 Favored 'Trans proline' 0 CA--C 1.544 1.014 0 CA-C-N 125.661 3.058 . . . . 0.0 118.387 -176.201 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 77.84 -44.2 2.28 Favored Glycine 0 N--CA 1.479 1.521 0 C-N-CA 125.087 1.327 . . . . 0.0 113.776 177.474 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.515 ' CE1' ' C5 ' ' B' ' 153' ' ' ' U' . 0.1 OUTLIER -46.33 140.83 3.85 Favored 'General case' 0 CA--C 1.563 1.467 0 C-N-CA 126.662 1.985 . . . . 0.0 111.492 169.179 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.404 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -163.93 179.35 7.08 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 125.548 1.539 . . . . 0.0 114.067 -168.181 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -152.44 147.71 26.58 Favored 'General case' 0 N--CA 1.48 1.073 0 O-C-N 121.186 -0.946 . . . . 0.0 113.048 174.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.404 HG11 ' CE2' ' A' ' 94' ' ' PHE . 7.6 m -134.1 168.76 23.1 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 O-C-N 120.956 -1.09 . . . . 0.0 112.152 171.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -142.37 132.19 24.22 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 124.885 1.274 . . . . 0.0 108.57 172.346 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.423 ' CZ ' ' HB3' ' A' ' 94' ' ' PHE . 41.5 m-85 -94.95 168.63 10.66 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -178.561 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -71.7 -37.43 70.69 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 121.476 -0.765 . . . . 0.0 112.572 177.407 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -129.2 141.41 41.67 Favored Pre-proline 0 CA--C 1.547 0.832 0 C-N-CA 125.015 1.326 . . . . 0.0 110.61 175.434 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -51.87 -29.77 36.14 Favored 'Trans proline' 0 CA--C 1.538 0.684 0 C-N-CA 123.845 3.03 . . . . 0.0 114.996 172.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.4 ttp85 -58.22 -42.19 85.75 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.082 0.953 . . . . 0.0 111.807 170.134 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -68.18 -44.83 75.02 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 122.543 0.337 . . . . 0.0 110.9 -179.162 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.23 -48.12 82.81 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 122.959 0.504 . . . . 0.0 112.109 173.074 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.32 -44.6 91.07 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 -179.412 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -66.54 -39.53 88.64 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.319 1.048 . . . . 0.0 112.112 178.615 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.38 -55.51 17.71 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 121.776 -0.577 . . . . 0.0 109.964 175.218 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 55.8 t -55.33 -49.93 68.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 123.73 0.812 . . . . 0.0 111.206 178.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 4.4 ppt_? -60.64 -24.31 65.46 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-O 117.603 -1.189 . . . . 0.0 113.501 -178.049 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -116.16 18.86 15.23 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 174.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 22.4 mt -117.72 -35.78 3.84 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 126.275 1.83 . . . . 0.0 112.702 172.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -53.03 112.71 0.91 Allowed 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.203 1.001 . . . . 0.0 113.39 -169.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 59.58 13.51 24.08 Favored Glycine 0 CA--C 1.538 1.507 0 N-CA-C 116.66 1.424 . . . . 0.0 116.66 179.145 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 67.3 mmt-85 -66.38 -67.14 0.47 Allowed 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 120.039 1.92 . . . . 0.0 112.395 -176.17 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 17.6 m 143.54 131.64 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.353 1 C-N-CA 132.859 4.464 . . . . 0.0 107.22 -176.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -168.09 148.76 5.0 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 105.032 -2.21 . . . . 0.0 105.032 -176.554 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 91.2 m 64.16 -31.71 0.12 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.586 1.554 . . . . 0.0 112.755 -167.37 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 144.27 2.67 0.81 Allowed Glycine 0 CA--C 1.531 1.048 0 N-CA-C 118.266 2.066 . . . . 0.0 118.266 168.572 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 37.9 t -150.46 -77.64 0.14 Allowed 'General case' 0 C--N 1.343 0.325 0 CA-C-N 121.181 2.49 . . . . 0.0 109.799 -174.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -122.14 158.99 28.12 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 123.12 1.438 . . . . 0.0 112.64 177.113 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.73 89.16 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 128.116 2.566 . . . . 0.0 107.543 171.077 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.71 55.97 0.89 Allowed 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.452 1.501 . . . . 0.0 111.124 179.378 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 71.3 t -83.86 139.43 17.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 125.919 1.688 . . . . 0.0 110.194 -176.231 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -151.59 162.69 40.55 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.191 0.996 . . . . 0.0 110.657 169.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 39.6 mt -77.56 146.81 36.07 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 120.162 -1.586 . . . . 0.0 109.637 169.245 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.43 114.29 1.45 Allowed 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 112.732 0.642 . . . . 0.0 112.732 175.821 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 -70.13 -33.43 71.81 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 174.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 144.13 52.47 0.03 OUTLIER Glycine 0 CA--C 1.533 1.208 0 C-N-CA 126.363 1.935 . . . . 0.0 109.888 -169.508 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -49.87 -55.33 14.71 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 117.777 2.51 . . . . 0.0 117.777 -167.641 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -147.54 50.59 1.07 Allowed 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 125.331 1.452 . . . . 0.0 112.629 -174.2 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.066 0 C-N-CA 126.157 1.783 . . . . 0.0 111.285 178.361 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 151' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.016 0 C3'-C2'-C1' 105.087 3.986 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 152' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.151 4 O4'-C1'-N19 116.21 8.01 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 153' ' ' ' U' . . . . . 0.515 ' C5 ' ' CE1' ' A' ' 112' ' ' PHE . . . . . . . . 0 C5'--C4' 1.551 3.168 4 C4'-C3'-C2' 96.761 -5.939 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 016 nuclear build full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.072 1 P-O3'-C3' 128.826 7.605 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 79.1 mmm . . . . . 0 N--CA 1.485 1.313 0 N-CA-C 109.217 -0.661 . . . . 0.0 109.217 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -88.87 140.67 29.2 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 120.544 -1.348 . . . . 0.0 112.058 177.188 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.494 ' CD1' ' HB3' ' A' ' 20' ' ' ALA . 88.8 m-85 -127.39 153.95 45.61 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 126.984 2.113 . . . . 0.0 108.498 -179.101 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -110.02 163.96 13.07 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.006 1.322 . . . . 0.0 111.624 -179.164 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.523 HD11 ' CD2' ' A' ' 7' ' ' LEU . 1.4 tm? -147.17 136.61 22.73 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.707 2.003 . . . . 0.0 110.772 178.052 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.6 mp -118.25 113.43 42.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 126.45 1.9 . . . . 0.0 110.554 173.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.523 ' CD2' HD11 ' A' ' 5' ' ' LEU . 85.0 mt -83.23 63.52 7.25 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 127.736 2.415 . . . . 0.0 112.05 174.58 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.416 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 58.3 t30 -68.27 64.3 0.1 Allowed 'General case' 0 CA--C 1.553 1.093 0 N-CA-C 115.982 1.845 . . . . 0.0 115.982 -175.252 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.419 ' HA2' ' HB3' ' A' ' 56' ' ' GLU . . . -84.14 173.14 50.06 Favored Glycine 0 N--CA 1.473 1.151 0 O-C-N 120.578 -1.326 . . . . 0.0 114.177 170.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.63 -49.35 68.04 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 115.595 1.702 . . . . 0.0 115.595 -169.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.7 p -138.56 -18.71 1.08 Allowed 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.234 1.013 . . . . 0.0 113.619 -169.626 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.58 HD23 ' H ' ' A' ' 12' ' ' LEU . 2.3 pt? -96.98 -5.86 36.82 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.698 1.599 . . . . 0.0 114.733 -176.157 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.66 151.29 0.12 Allowed 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 117.383 2.364 . . . . 0.0 117.383 -168.509 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -165.3 -156.26 9.05 Favored Glycine 0 CA--C 1.525 0.716 0 CA-C-N 113.54 -1.663 . . . . 0.0 116.052 169.516 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -156.59 160.93 39.89 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.519 1.528 . . . . 0.0 111.973 -175.615 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.9 t -154.3 -176.64 5.97 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.699 1.599 . . . . 0.0 110.09 173.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 72.1 p -140.97 170.83 15.0 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 125.935 1.694 . . . . 0.0 110.082 174.081 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.706 HG21 HG11 ' A' ' 29' ' ' VAL . 5.0 t -157.96 151.5 23.59 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.133 -0.98 . . . . 0.0 111.293 175.247 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -81.66 119.23 23.56 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 167.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.671 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -138.83 170.41 16.05 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.026 1.731 . . . . 0.0 112.324 -174.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 58.7 t -82.85 -38.85 15.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 O-C-N 121.02 -1.05 . . . . 0.0 111.651 170.613 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.455 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 3.3 t70 174.54 -154.58 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 130.691 3.596 . . . . 0.0 106.683 173.571 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.63 -19.49 2.39 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 120.681 1.582 . . . . 0.0 114.059 169.47 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.83 -8.26 14.47 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.41 1.084 . . . . 0.0 113.602 171.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.671 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 10.3 m -136.5 -41.8 0.62 Allowed 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 126.393 1.877 . . . . 0.0 111.746 179.6 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.461 ' HA ' HG12 ' A' ' 29' ' ' VAL . . . -68.32 -34.21 75.71 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.783 1.633 . . . . 0.0 111.024 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -78.65 5.38 11.19 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 120.701 -1.249 . . . . 0.0 114.367 176.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.14 18.2 3.2 Favored 'General case' 0 N--CA 1.466 0.332 0 O-C-N 120.658 -1.276 . . . . 0.0 112.276 176.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.706 HG11 HG21 ' A' ' 18' ' ' THR . 9.8 p -124.47 -40.96 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 124.889 1.276 . . . . 0.0 111.873 177.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -68.4 -27.7 66.45 Favored 'General case' 0 CA--C 1.527 0.091 0 C-N-CA 124.195 0.998 . . . . 0.0 112.571 173.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -54.59 -32.49 58.72 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.161 1.384 . . . . 0.0 112.763 177.28 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -80.2 -50.09 10.74 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.973 0.909 . . . . 0.0 110.665 -179.627 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -59.97 -43.73 94.91 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.341 1.057 . . . . 0.0 112.261 177.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.41 -52.16 66.49 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 123.729 0.811 . . . . 0.0 112.217 178.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -73.35 -13.11 61.04 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.384 0.674 . . . . 0.0 112.739 -178.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -84.18 -31.35 25.18 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.911 0.884 . . . . 0.0 112.764 171.323 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -76.32 -36.85 58.09 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 168.292 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 119.85 0.89 13.36 Favored Glycine 0 CA--C 1.534 1.224 0 C-N-CA 128.66 3.029 . . . . 0.0 114.742 169.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 54.2 t -76.39 149.63 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 CA-C-N 118.138 0.969 . . . . 0.0 111.511 173.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -163.39 41.3 0.1 Allowed 'General case' 0 CA--C 1.546 0.827 0 CA-C-O 122.292 1.044 . . . . 0.0 111.235 169.334 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.85 -151.25 0.05 OUTLIER Glycine 0 CA--C 1.542 1.775 0 C-N-CA 126.195 1.855 . . . . 0.0 116.643 177.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -73.14 85.72 1.37 Allowed 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.191 1.396 . . . . 0.0 112.709 -178.615 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 77.5 m95 -55.35 116.28 2.76 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 125.428 1.491 . . . . 0.0 110.216 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.99 162.29 29.01 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 126.864 2.066 . . . . 0.0 110.503 -173.032 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -155.38 163.92 39.43 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.598 1.159 . . . . 0.0 111.663 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -138.23 166.14 24.92 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.266 1.426 . . . . 0.0 112.454 176.508 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.466 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 28.4 t70 -125.12 -0.4 7.79 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 114.781 1.401 . . . . 0.0 114.781 -178.802 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -95.45 -32.09 13.06 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.164 1.386 . . . . 0.0 111.359 170.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.6 t -125.38 -1.63 7.54 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.308 1.043 . . . . 0.0 113.615 178.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.466 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 2.7 mmpt? 53.64 41.29 32.11 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.801 1.24 . . . . 0.0 113.075 169.154 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 52.7 m -120.92 113.81 20.65 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 125.567 1.547 . . . . 0.0 109.316 -171.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -66.79 159.91 27.02 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 122.054 0.93 . . . . 0.0 110.967 169.315 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 22.4 m -145.7 161.95 38.69 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 125.687 1.595 . . . . 0.0 107.491 169.655 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.49 ' CG1' HD23 ' A' ' 7' ' ' LEU . 14.4 p -153.92 65.76 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 CA-C-O 123.22 1.486 . . . . 0.0 111.189 -179.368 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.416 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 86.1 m -67.99 118.77 11.62 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.113 -0.992 . . . . 0.0 112.734 -172.475 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.419 ' HB3' ' HA2' ' A' ' 9' ' ' GLY . 7.7 tm-20 -117.04 137.76 52.04 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.346 1.858 . . . . 0.0 113.906 -168.6 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 27.07 51.05 0.07 OUTLIER Glycine 0 N--CA 1.478 1.46 0 C-N-CA 128.691 3.043 . . . . 0.0 118.05 169.376 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.5 p -159.87 -41.09 0.05 Allowed 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 126.485 1.914 . . . . 0.0 110.916 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 -130.68 154.13 48.25 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 128.247 2.619 . . . . 0.0 109.152 170.327 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -144.92 134.23 22.97 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.646 1.178 . . . . 0.0 108.846 169.49 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 11.8 m80 -56.35 154.33 8.4 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.448 1.499 . . . . 0.0 113.605 -179.321 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -57.31 145.71 31.24 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 115.093 1.516 . . . . 0.0 115.093 -173.216 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 9.2 p80 -153.44 7.17 0.37 Allowed 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.829 1.651 . . . . 0.0 113.749 176.301 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . 0.306 0.0 OUTLIER 52.91 179.87 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 128.771 2.828 . . . . 0.0 115.842 -171.401 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 95.3 mtp 57.93 -80.2 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 127.512 2.325 . . . . 0.0 113.52 -169.492 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -93.56 146.58 23.69 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 119.877 1.217 . . . . 0.0 112.316 -172.103 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.468 HH12 ' CG ' ' A' ' 68' ' ' ASP 0.429 0.0 OUTLIER 47.4 -4.69 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 120.906 3.669 . . . . 0.0 120.906 -178.966 . . . . . . . . 4 4 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.468 ' CG ' HH12 ' A' ' 67' ' ' ARG . 4.3 m-20 -70.36 77.75 0.55 Allowed 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 120.879 1.672 . . . . 0.0 113.265 173.154 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.8 p -162.32 -49.99 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 127.421 2.289 . . . . 0.0 109.464 169.648 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 5.2 m -154.34 118.27 2.62 Favored Pre-proline 0 CA--C 1.547 0.828 0 C-N-CA 128.909 2.884 . . . . 0.0 106.535 169.271 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_exo -48.56 147.4 9.4 Favored 'Trans proline' 0 CA--C 1.54 0.795 0 C-N-CA 124.132 3.222 . . . . 0.0 116.509 -175.555 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 44.6 mt 63.29 173.48 0.16 Allowed 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 127.954 2.501 . . . . 0.0 115.038 177.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -114.13 21.22 14.97 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 125.765 1.626 . . . . 0.0 112.387 -177.258 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 9.4 p -65.73 25.0 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 128.951 2.901 . . . . 0.0 114.362 169.516 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.5 mttp -102.22 140.48 36.44 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 127.39 2.276 . . . . 0.0 109.383 -172.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 80.0 t -140.6 131.65 29.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 CA-C-O 122.094 0.949 . . . . 0.0 113.222 -167.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -88.36 147.5 24.71 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 125.934 1.693 . . . . 0.0 109.237 168.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.421 HG13 ' HB3' ' A' ' 113' ' ' ALA . 1.4 p -152.55 152.88 10.02 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.285 0 CA-C-O 122.732 1.253 . . . . 0.0 113.335 177.153 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.35 151.19 23.26 Favored Glycine 0 CA--C 1.535 1.316 0 C-N-CA 125.991 1.757 . . . . 0.0 109.795 168.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -143.56 143.67 31.62 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 119.748 1.774 . . . . 0.0 113.328 -168.43 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.4 tp 56.17 -30.17 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 130.021 3.328 . . . . 0.0 117.107 -176.083 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 118.78 -22.21 9.34 Favored Glycine 0 CA--C 1.542 1.731 0 C-N-CA 127.907 2.67 . . . . 0.0 110.81 -168.363 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -152.72 5.73 0.38 Allowed 'General case' 0 CA--C 1.559 1.295 0 C-N-CA 125.964 1.706 . . . . 0.0 114.387 -175.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -78.2 128.73 34.18 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 120.114 -1.616 . . . . 0.0 110.731 177.468 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -142.64 55.74 0.58 Allowed Glycine 0 N--CA 1.469 0.879 0 C-N-CA 125.322 1.439 . . . . 0.0 112.493 -177.503 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -125.26 126.26 44.87 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.805 1.242 . . . . 0.0 109.959 172.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.1 ptmm? -58.13 -36.06 72.39 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 115.372 1.619 . . . . 0.0 115.372 -177.139 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.404 ' HA ' ' HB3' ' A' ' 91' ' ' GLU . 2.2 m -73.02 -31.69 64.62 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 -168.449 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -64.48 -53.27 50.87 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 119.666 1.121 . . . . 0.0 110.724 174.501 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.436 ' HA ' ' HB3' ' A' ' 93' ' ' ALA . 4.5 pp -65.85 -32.31 73.76 Favored 'General case' 0 C--O 1.22 -0.456 0 C-N-CA 120.474 -0.49 . . . . 0.0 111.865 177.796 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.404 ' HB3' ' HA ' ' A' ' 88' ' ' THR . 40.3 tt0 -55.77 -48.03 76.01 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 120.756 -1.215 . . . . 0.0 111.953 173.399 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.86 -37.85 82.37 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 119.154 0.888 . . . . 0.0 111.714 170.528 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.436 ' HB3' ' HA ' ' A' ' 90' ' ' LEU . . . -60.17 -36.27 77.2 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.602 1.092 . . . . 0.0 112.601 -178.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.589 ' CD2' HG11 ' A' ' 115' ' ' VAL . 21.8 m-85 -83.76 -60.17 2.2 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 125.794 1.638 . . . . 0.0 111.628 179.191 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -50.29 -23.31 5.89 Favored Glycine 0 CA--C 1.548 2.134 0 N-CA-C 115.452 0.941 . . . . 0.0 115.452 173.276 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -51.63 -51.62 54.23 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.851 1.66 . . . . 0.0 112.702 168.548 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -72.33 -44.81 62.13 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.221 1.008 . . . . 0.0 111.323 178.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -171.84 168.34 41.43 Favored Glycine 0 N--CA 1.478 1.476 0 CA-C-O 118.839 -0.979 . . . . 0.0 114.478 175.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -70.4 124.5 10.88 Favored 'Trans proline' 0 C--O 1.237 0.446 0 CA-C-N 120.919 2.359 . . . . 0.0 114.154 -169.07 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.42 HD13 ' CG2' ' A' ' 103' ' ' VAL . 21.1 mt -61.0 162.84 6.53 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.825 2.05 . . . . 0.0 112.763 170.313 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 28.3 ttp180 -124.79 -29.51 3.39 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 126.461 1.904 . . . . 0.0 111.307 176.013 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 83.0 p -160.62 155.1 23.55 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.573 1.549 . . . . 0.0 111.069 166.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.42 ' CG2' HD13 ' A' ' 100' ' ' LEU . 78.1 t -139.75 134.42 38.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 126.121 1.768 . . . . 0.0 107.922 -178.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 39.2 t90 -147.49 143.74 28.08 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 177.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.501 HG12 ' HB1' ' A' ' 113' ' ' ALA . 1.0 OUTLIER -142.03 154.95 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 O-C-N 121.469 -0.769 . . . . 0.0 110.025 170.692 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -97.2 135.67 38.82 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-O 120.916 0.389 . . . . 0.0 110.991 172.312 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.13 -9.44 21.35 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.472 1.109 . . . . 0.0 112.989 178.548 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -64.7 -44.29 72.97 Favored Pre-proline 0 CA--C 1.56 1.347 0 CA-C-O 118.04 -0.981 . . . . 0.0 112.168 171.489 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -118.77 82.03 0.0 OUTLIER 'Trans proline' 0 CA--C 1.551 1.364 0 C-N-CA 124.581 3.52 . . . . 0.0 110.873 169.173 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -53.79 116.76 3.23 Favored 'Trans proline' 0 CA--C 1.538 0.702 0 C-N-CA 123.355 2.703 . . . . 0.0 112.57 -177.339 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 157.51 -18.33 0.36 Allowed Glycine 0 N--CA 1.475 1.296 0 N-CA-C 115.585 0.994 . . . . 0.0 115.585 173.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -130.69 157.4 42.89 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 125.439 1.496 . . . . 0.0 110.698 -171.024 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.501 ' HB1' HG12 ' A' ' 105' ' ' VAL . . . -165.98 178.6 6.33 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 124.897 1.279 . . . . 0.0 113.741 -167.734 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -149.89 157.64 43.37 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.403 1.081 . . . . 0.0 113.819 172.355 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.589 HG11 ' CD2' ' A' ' 94' ' ' PHE . 32.6 m -143.35 172.2 7.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 CA-C-O 122.739 1.257 . . . . 0.0 113.29 169.503 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -152.34 127.88 10.05 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 127.05 2.14 . . . . 0.0 106.598 -177.756 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.442 ' CZ ' ' HB3' ' A' ' 94' ' ' PHE . 57.4 m-85 -109.03 155.87 20.41 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.138 1.375 . . . . 0.0 111.823 -173.249 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -68.95 -14.91 63.32 Favored 'General case' 0 CA--C 1.553 1.076 0 O-C-N 120.467 -1.396 . . . . 0.0 112.603 174.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -141.01 133.0 13.96 Favored Pre-proline 0 CA--C 1.553 1.074 0 C-N-CA 125.063 1.345 . . . . 0.0 112.525 -170.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -78.9 -24.48 7.01 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 123.395 2.73 . . . . 0.0 114.765 -175.455 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.96 -41.97 81.64 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 120.348 1.431 . . . . 0.0 110.259 171.54 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -66.63 -41.3 88.53 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.242 0.617 . . . . 0.0 112.346 174.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.1 -44.63 97.05 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 118.578 0.626 . . . . 0.0 112.335 171.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.15 -47.93 75.34 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.057 0.543 . . . . 0.0 111.492 178.668 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -61.57 -37.37 83.61 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.668 1.187 . . . . 0.0 112.302 178.132 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.37 -55.06 31.62 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 122.905 0.482 . . . . 0.0 110.232 169.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 35.1 t -51.92 -40.36 28.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 124.805 1.242 . . . . 0.0 113.518 177.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -78.92 -26.84 43.74 Favored 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 114.328 1.232 . . . . 0.0 114.328 -179.438 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -105.19 -21.61 13.22 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 -173.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.447 ' CD1' ' CE1' ' A' ' 94' ' ' PHE . 42.7 mt -80.91 -36.1 31.54 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.6 1.16 . . . . 0.0 113.988 176.307 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -65.02 147.49 53.39 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 115.225 1.565 . . . . 0.0 115.225 -168.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 66.3 -44.37 0.18 Allowed Glycine 0 CA--C 1.538 1.527 0 C-N-CA 128.959 3.171 . . . . 0.0 118.459 169.518 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 49.6 mtt85 -51.76 -56.49 13.53 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 127.688 2.395 . . . . 0.0 115.082 -169.194 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.6 m 149.41 150.32 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.958 1 C-N-CA 131.771 4.029 . . . . 0.0 107.322 -169.235 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -143.77 -60.71 0.4 Allowed 'General case' 0 N--CA 1.476 0.864 0 CA-C-O 119.107 -0.473 . . . . 0.0 111.583 171.201 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 27.7 t -67.19 -42.33 84.37 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 118.741 0.701 . . . . 0.0 111.611 169.669 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 158.18 4.51 0.07 OUTLIER Glycine 0 CA--C 1.541 1.662 0 N-CA-C 116.305 1.282 . . . . 0.0 116.305 -177.098 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 5.7 t -157.26 -170.56 3.3 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 127.077 2.151 . . . . 0.0 107.556 177.43 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -47.73 126.64 10.53 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.547 1.539 . . . . 0.0 113.408 -169.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 12.1 p -117.23 156.12 18.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 126.805 2.042 . . . . 0.0 109.98 177.186 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.01 134.61 47.53 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 126.962 2.105 . . . . 0.0 108.999 175.299 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 87.2 t -147.9 135.15 13.86 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 169.3 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 30.8 mp0 -141.15 168.47 19.71 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.095 0.958 . . . . 0.0 110.322 171.732 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -71.97 135.21 46.36 Favored 'General case' 0 CA--C 1.543 0.673 0 O-C-N 120.253 -1.529 . . . . 0.0 108.616 167.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 37.2 m -58.51 149.05 26.37 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 121.668 0.747 . . . . 0.0 112.618 -179.609 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -113.58 -79.57 0.58 Allowed 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.201 1.0 . . . . 0.0 108.626 169.058 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 59.87 -69.06 0.01 OUTLIER Glycine 0 CA--C 1.539 1.572 0 C-N-CA 126.888 2.185 . . . . 0.0 114.942 179.053 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -150.57 -5.39 0.31 Allowed 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.336 1.854 . . . . 0.0 114.354 173.593 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -61.25 144.91 52.94 Favored 'General case' 0 CA--C 1.51 -0.562 0 CA-C-N 120.058 1.299 . . . . 0.0 112.002 -168.384 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.029 0 CA-C-N 113.47 -1.696 . . . . 0.0 110.575 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 151' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.045 0 C3'-C2'-C1' 105.098 3.998 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 152' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.272 2 P-O3'-C3' 125.262 4.635 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.728 4 N19-C1'-C2' 123.677 6.423 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.693 2 O4'-C1'-N19 114.198 5.998 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.7 mmt . . . . . 0 N--CA 1.485 1.303 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -88.16 141.26 28.7 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 119.605 1.093 . . . . 0.0 111.533 174.057 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.463 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 86.9 m-85 -125.6 154.89 41.59 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 127.49 2.316 . . . . 0.0 108.366 -178.746 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -107.34 162.61 13.75 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.563 1.145 . . . . 0.0 111.531 -178.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.608 HD22 ' HB3' ' A' ' 30' ' ' PHE . 14.6 tp -141.64 140.16 33.21 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 126.899 2.079 . . . . 0.0 110.369 171.5 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.3 mp -117.97 108.42 24.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 126.002 1.721 . . . . 0.0 108.813 173.169 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.524 HD21 HD21 ' A' ' 5' ' ' LEU . 68.3 mt -80.23 77.84 6.94 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.458 1.103 . . . . 0.0 108.283 169.126 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -61.91 45.81 0.01 OUTLIER 'General case' 0 CA--C 1.564 1.495 0 C-N-CA 125.819 1.648 . . . . 0.0 114.285 171.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -77.55 119.44 5.29 Favored Glycine 0 CA--C 1.528 0.846 0 O-C-N 119.194 -2.191 . . . . 0.0 112.877 179.211 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.9 ttpm? -26.2 -64.79 0.07 Allowed 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 127.922 2.489 . . . . 0.0 115.168 -173.162 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.8 m -98.8 -19.44 17.42 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.317 0.647 . . . . 0.0 112.459 -171.48 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -117.96 -1.45 11.47 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 117.259 2.318 . . . . 0.0 117.259 -168.053 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.555 ' H ' ' HE2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -33.75 146.76 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 118.216 2.673 . . . . 0.0 118.216 -168.604 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.88 -165.42 25.25 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 117.69 1.836 . . . . 0.0 117.69 169.586 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -142.43 157.82 44.35 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.781 1.232 . . . . 0.0 111.853 -175.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.7 t -156.27 -177.16 6.39 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.418 1.487 . . . . 0.0 110.503 171.494 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 70.7 p -142.57 171.51 13.96 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.686 1.594 . . . . 0.0 110.806 174.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.9 t -158.98 149.39 19.6 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.37 -0.831 . . . . 0.0 111.743 173.001 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.1 tp10 -74.6 120.51 20.26 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 106.873 -1.528 . . . . 0.0 106.873 167.079 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -137.54 174.17 10.88 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.58 1.552 . . . . 0.0 112.0 177.456 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.3 p -84.05 -31.4 7.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 O-C-N 121.482 -0.762 . . . . 0.0 112.469 169.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.463 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 2.1 t70 167.46 -158.09 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.09 1 C-N-CA 132.227 4.211 . . . . 0.0 107.462 176.361 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.76 -22.46 2.14 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 120.467 -1.395 . . . . 0.0 114.135 169.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.91 -5.39 16.64 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.437 1.095 . . . . 0.0 113.628 173.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.0 m -135.48 -37.4 0.77 Allowed 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.646 1.578 . . . . 0.0 112.236 172.304 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.21 -38.66 91.14 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.717 1.207 . . . . 0.0 111.008 177.399 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -75.41 4.13 7.89 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 114.435 1.272 . . . . 0.0 114.435 178.288 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.42 ' HE3' HG23 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -131.89 18.52 4.62 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 120.428 -1.42 . . . . 0.0 111.532 172.884 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.42 HG23 ' HE3' ' A' ' 28' ' ' LYS . 3.6 t -120.06 -51.97 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 125.358 1.463 . . . . 0.0 110.094 178.013 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.608 ' HB3' HD22 ' A' ' 5' ' ' LEU . 23.3 m-85 -61.71 -26.33 67.97 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 176.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -54.4 -29.11 47.89 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.113 1.365 . . . . 0.0 113.164 173.638 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -82.79 -50.92 8.15 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.304 0.642 . . . . 0.0 110.406 178.135 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -60.08 -43.44 95.47 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.025 0.93 . . . . 0.0 112.231 179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.15 -51.99 67.4 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 121.322 -0.861 . . . . 0.0 111.064 178.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 59.4 m-80 -70.41 -18.55 63.02 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-O 117.915 -1.04 . . . . 0.0 113.769 -179.667 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . 0.323 1.1 p30 -86.16 -17.22 35.49 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 120.267 1.394 . . . . 0.0 114.116 171.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 58.9 m-80 -84.61 -41.14 16.68 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 166.414 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.29 -1.16 5.71 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 128.758 3.075 . . . . 0.0 115.436 171.226 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 55.7 t -80.77 154.13 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 CA-C-N 118.805 1.303 . . . . 0.0 113.079 177.505 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -169.32 48.52 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 126.029 1.732 . . . . 0.0 111.267 168.507 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.419 ' H ' HG22 ' A' ' 54' ' ' VAL . . . -83.37 -137.11 3.01 Favored Glycine 0 CA--C 1.538 1.528 0 C-N-CA 125.354 1.454 . . . . 0.0 116.135 -176.479 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -70.67 82.22 0.61 Allowed 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.477 1.111 . . . . 0.0 112.752 -176.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 80.4 m95 -59.95 109.68 1.01 Allowed 'General case' 0 C--O 1.236 0.344 0 O-C-N 120.113 -1.617 . . . . 0.0 110.515 -179.061 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.84 163.66 21.71 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 127.028 2.131 . . . . 0.0 110.968 -174.669 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -153.66 166.26 33.37 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.056 1.342 . . . . 0.0 111.14 179.313 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -139.79 158.2 44.49 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.058 1.343 . . . . 0.0 111.426 175.086 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.507 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -120.62 4.93 10.6 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 -177.298 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -102.18 -29.98 11.4 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.766 1.626 . . . . 0.0 111.73 170.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.4 t -126.11 1.17 7.2 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.273 1.029 . . . . 0.0 113.582 177.645 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.507 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 3.2 mmpt? 52.55 41.98 31.25 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.092 1.357 . . . . 0.0 113.631 168.697 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.2 m -122.84 112.81 18.32 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 125.708 1.603 . . . . 0.0 109.363 -170.265 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -66.08 160.09 24.64 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.127 0.971 . . . . 0.0 111.32 169.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 23.7 m -145.41 157.94 43.93 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 125.365 1.466 . . . . 0.0 108.201 169.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.461 ' CG1' HD23 ' A' ' 7' ' ' LEU . 13.2 p -157.29 82.26 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 C-N-CA 124.902 1.281 . . . . 0.0 110.922 -179.262 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 28.3 m -74.96 115.59 14.75 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.186 0.994 . . . . 0.0 112.361 -177.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.5 159.53 16.98 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.426 1.49 . . . . 0.0 113.187 175.277 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -160.59 -18.48 0.03 OUTLIER Glycine 0 CA--C 1.534 1.228 0 CA-C-O 117.697 -1.613 . . . . 0.0 114.983 169.522 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.5 t -164.01 -7.86 0.03 OUTLIER 'General case' 0 CA--C 1.551 0.991 0 N-CA-C 116.502 2.038 . . . . 0.0 116.502 -174.015 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 13.4 t-160 -66.29 -37.56 85.71 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 120.865 1.666 . . . . 0.0 113.026 -176.653 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 -145.45 -39.28 0.24 Allowed 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.602 1.961 . . . . 0.0 111.192 177.503 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -71.86 106.6 4.26 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.335 1.454 . . . . 0.0 109.913 169.397 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 -54.53 156.45 3.42 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 125.885 1.674 . . . . 0.0 114.474 -177.558 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -61.47 -22.78 65.37 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 126.077 1.751 . . . . 0.0 114.949 -174.295 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 32.5 t-80 -150.31 159.82 44.17 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.846 1.658 . . . . 0.0 110.923 -171.583 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 40.6 tpp -152.7 -32.07 0.13 Allowed 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 115.21 1.559 . . . . 0.0 115.21 -176.535 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 18.6 p80 -154.35 171.76 18.78 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.322 1.449 . . . . 0.0 111.492 -174.513 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? -61.19 165.34 4.49 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.555 0.742 . . . . 0.0 112.344 176.163 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -146.26 161.9 39.26 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 -167.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -163.98 154.94 15.77 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 127.522 2.329 . . . . 0.0 108.795 168.461 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 78.6 m 106.8 -19.84 0.0 OUTLIER Pre-proline 0 CA--C 1.559 1.292 0 C-N-CA 131.223 3.809 . . . . 0.0 116.22 -171.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -78.39 66.74 8.42 Favored 'Trans proline' 0 C--N 1.361 1.235 0 CA-C-N 124.386 2.602 . . . . 0.0 111.846 179.553 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.5 tp 65.95 -43.04 0.38 Allowed 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 129.351 3.061 . . . . 0.0 114.296 -170.521 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 51.36 -67.4 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 129.865 3.266 . . . . 0.0 115.272 -173.617 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 57.44 -11.12 0.02 OUTLIER 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 129.204 3.002 . . . . 0.0 117.476 177.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 38.2 mttm -99.25 148.71 23.85 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 127.526 2.33 . . . . 0.0 110.367 -175.212 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 24.0 t -135.61 140.35 44.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 125.617 1.567 . . . . 0.0 111.042 -169.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -95.0 148.62 22.14 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 125.748 1.619 . . . . 0.0 108.962 168.572 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.568 HG13 ' HB3' ' A' ' 113' ' ' ALA . 0.2 OUTLIER -153.75 155.45 6.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 122.8 1.286 . . . . 0.0 112.897 174.785 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -147.8 149.31 21.38 Favored Glycine 0 CA--C 1.534 1.224 0 C-N-CA 125.287 1.422 . . . . 0.0 110.441 168.479 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 12.4 p-10 -160.08 152.01 20.28 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.337 -1.096 . . . . 0.0 113.527 -169.552 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 37.2 tp 56.56 -57.17 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 130.226 3.41 . . . . 0.0 116.623 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 117.09 -17.4 12.77 Favored Glycine 0 CA--C 1.541 1.677 0 C-N-CA 127.191 2.329 . . . . 0.0 112.568 -169.345 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -150.13 37.89 0.71 Allowed 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 125.497 1.519 . . . . 0.0 114.078 -175.403 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 39.8 t-20 -132.52 117.61 18.21 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.369 1.468 . . . . 0.0 110.852 169.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -133.8 49.94 0.89 Allowed Glycine 0 CA--C 1.533 1.166 0 C-N-CA 126.35 1.929 . . . . 0.0 111.315 172.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -122.65 4.23 9.54 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 125.655 1.582 . . . . 0.0 113.092 -170.085 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.25 15.6 pttp 52.01 -29.4 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 131.228 3.811 . . . . 0.0 119.707 -175.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 66.8 m -47.79 -49.78 27.71 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 120.9 1.682 . . . . 0.0 115.053 -169.018 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -76.35 -45.87 30.09 Favored 'General case' 0 CA--C 1.529 0.157 0 O-C-N 121.54 -0.725 . . . . 0.0 111.662 -178.152 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.6 pp -61.31 -33.6 73.86 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.708 1.14 . . . . 0.0 111.915 176.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -61.44 -48.3 81.77 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.602 1.561 . . . . 0.0 112.178 175.573 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.52 -39.35 88.59 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 119.478 1.035 . . . . 0.0 111.873 171.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.01 -42.45 99.17 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 124.208 1.003 . . . . 0.0 111.987 -177.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.717 ' CD1' HD23 ' A' ' 130' ' ' LEU . 10.3 m-85 -68.14 -63.04 1.14 Allowed 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 124.918 1.287 . . . . 0.0 110.988 174.119 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.4 ' HA2' ' O ' ' A' ' 98' ' ' GLY . . . -57.66 -19.72 36.31 Favored Glycine 0 CA--C 1.545 1.951 0 N-CA-C 115.729 1.052 . . . . 0.0 115.729 -175.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -55.78 -49.1 74.08 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.828 2.051 . . . . 0.0 112.956 168.589 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.462 ' HE2' HD22 ' A' ' 130' ' ' LEU . 95.2 m-85 -65.85 -41.99 91.03 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.377 0.671 . . . . 0.0 110.484 173.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.4 ' O ' ' HA2' ' A' ' 95' ' ' GLY . . . -179.68 162.32 28.84 Favored Glycine 0 N--CA 1.471 1.005 0 CA-C-O 118.656 -1.08 . . . . 0.0 114.136 169.215 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -58.7 147.95 85.23 Favored 'Trans proline' 0 CA--C 1.534 0.488 0 C-N-CA 122.52 2.147 . . . . 0.0 114.772 -168.471 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.581 HD13 ' CG2' ' A' ' 103' ' ' VAL . 14.2 mt -100.31 140.72 34.15 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.967 1.707 . . . . 0.0 110.756 -175.209 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 27.2 ttp-105 -96.15 -29.03 14.29 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.288 1.435 . . . . 0.0 112.033 173.172 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 20.3 p -155.73 155.57 33.35 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.789 1.236 . . . . 0.0 111.889 168.358 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.581 ' CG2' HD13 ' A' ' 100' ' ' LEU . 11.2 t -143.37 136.22 24.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 125.547 1.539 . . . . 0.0 107.945 173.796 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 72.8 t90 -145.2 147.68 32.71 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 124.83 1.252 . . . . 0.0 111.105 -174.651 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.2 m -143.84 153.32 15.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 124.109 0.964 . . . . 0.0 110.317 176.125 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -100.05 128.72 46.09 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 121.373 0.606 . . . . 0.0 111.443 -174.697 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 34.6 ptt-85 -71.97 -29.26 64.07 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 114.665 1.358 . . . . 0.0 114.665 -176.437 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 31.5 m-20 -78.22 -40.19 1.84 Allowed Pre-proline 0 CA--C 1.55 0.953 0 CA-C-O 117.834 -1.079 . . . . 0.0 112.711 -177.199 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -111.54 82.01 0.01 OUTLIER 'Trans proline' 0 CA--C 1.549 1.231 0 C-N-CA 124.87 3.713 . . . . 0.0 110.064 169.399 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -71.52 69.13 2.75 Favored 'Trans proline' 0 CA--C 1.543 0.962 0 C-N-CA 124.358 3.372 . . . . 0.0 112.826 -176.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -169.35 20.3 0.08 OUTLIER Glycine 0 CA--C 1.538 1.529 0 C-N-CA 127.917 2.675 . . . . 0.0 111.885 173.594 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -146.64 145.31 30.01 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 128.031 2.533 . . . . 0.0 108.261 -169.538 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.568 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -158.91 170.68 21.56 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 114.197 1.184 . . . . 0.0 114.197 -168.249 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -142.95 163.08 33.75 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.111 0.964 . . . . 0.0 111.833 169.599 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.498 HG21 ' CD2' ' A' ' 94' ' ' PHE . 1.4 t -152.52 163.31 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 125.523 1.529 . . . . 0.0 111.845 -171.324 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 60.1 tt0 -142.38 121.45 12.91 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.409 1.484 . . . . 0.0 107.608 165.593 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.418 ' CZ ' ' HB3' ' A' ' 94' ' ' PHE . 23.1 m-85 -84.36 168.55 15.49 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.555 -0.716 . . . . 0.0 112.507 178.109 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -74.94 -42.8 57.0 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 121.147 -0.97 . . . . 0.0 112.149 176.072 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -116.28 129.22 25.39 Favored Pre-proline 0 CA--C 1.547 0.843 0 C-N-CA 126.55 1.94 . . . . 0.0 108.568 174.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -50.92 -26.83 19.16 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 123.705 2.937 . . . . 0.0 114.722 173.407 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.27 -25.47 63.37 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 119.006 0.821 . . . . 0.0 112.993 173.029 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -68.81 -44.34 73.75 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 119.689 1.131 . . . . 0.0 110.233 169.666 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.82 -37.41 84.32 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.063 0.545 . . . . 0.0 111.861 171.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.34 -43.77 89.84 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.355 0.98 . . . . 0.0 112.431 173.64 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -56.64 -41.4 77.1 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 119.046 0.839 . . . . 0.0 111.696 171.096 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -73.43 -45.58 53.61 Favored 'General case' 0 CA--C 1.545 0.772 0 O-C-N 121.41 -0.806 . . . . 0.0 112.199 179.095 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 55.9 t -61.71 -26.72 40.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 O-C-N 119.764 -1.835 . . . . 0.0 112.342 174.327 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 31.1 ttp-105 -85.51 -37.91 19.15 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.425 1.09 . . . . 0.0 113.685 174.639 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -120.62 -26.59 5.28 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 116.3 1.963 . . . . 0.0 116.3 -167.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.717 HD23 ' CD1' ' A' ' 94' ' ' PHE . 6.7 tp -87.37 -19.73 27.72 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 126.012 1.725 . . . . 0.0 112.23 176.392 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -70.91 147.37 48.83 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.613 1.565 . . . . 0.0 113.366 169.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 60.26 -10.57 0.04 OUTLIER Glycine 0 CA--C 1.536 1.368 0 N-CA-C 122.013 3.565 . . . . 0.0 122.013 167.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -76.12 -83.4 0.07 Allowed 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 121.884 2.842 . . . . 0.0 110.387 -178.34 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 4.3 m -176.97 148.06 0.62 Allowed 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 129.792 3.237 . . . . 0.0 106.772 -177.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 15.9 tp -158.74 143.08 15.69 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 104.817 -2.29 . . . . 0.0 104.817 170.349 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 22.2 m 67.59 -49.94 0.51 Allowed 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.465 1.906 . . . . 0.0 111.262 -167.653 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 147.89 26.63 0.07 OUTLIER Glycine 0 CA--C 1.531 1.087 0 N-CA-C 118.662 2.225 . . . . 0.0 118.662 167.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 2.2 m -141.55 -73.29 0.33 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 120.247 2.023 . . . . 0.0 109.221 174.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -135.26 153.76 51.79 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.468 1.107 . . . . 0.0 111.691 179.406 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 8.6 p -143.89 144.17 23.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 C-N-CA 127.141 2.176 . . . . 0.0 108.557 169.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.38 129.35 18.48 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 126.065 1.746 . . . . 0.0 108.601 179.408 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 60.7 t -144.49 132.15 17.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 123.661 0.784 . . . . 0.0 108.958 -169.45 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -137.01 165.67 25.48 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.639 1.109 . . . . 0.0 111.378 177.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 16.0 tp -75.6 129.52 37.32 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 120.651 -1.28 . . . . 0.0 108.656 169.5 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 33.4 t -63.44 127.5 31.59 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.531 0.682 . . . . 0.0 110.956 -173.484 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -137.77 2.63 2.42 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.157 1.783 . . . . 0.0 112.783 -170.785 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -69.21 -48.76 44.2 Favored Glycine 0 CA--C 1.535 1.287 0 CA-C-N 119.567 1.076 . . . . 0.0 113.148 173.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -159.4 162.21 35.75 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.683 1.593 . . . . 0.0 111.36 170.174 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -112.23 92.69 4.12 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 126.656 1.983 . . . . 0.0 109.209 -173.573 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.188 0 C-N-CA 127.834 2.453 . . . . 0.0 113.097 -168.336 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 151' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.981 1 C3'-C2'-C1' 105.613 4.57 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 152' ' ' ' A' . . . . . 0.485 " H4'" ' C5 ' ' B' ' 153' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.533 1.791 2 P-O3'-C3' 125.76 5.05 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 153' ' ' ' U' . . . . . 0.485 ' C5 ' " H4'" ' B' ' 152' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.545 2.677 1 C3'-C2'-C1' 106.604 5.671 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 154' ' ' ' C' . . . . . 0.4 H5'' " H3'" ' B' ' 153' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.547 2.813 4 O4'-C1'-N19 114.04 5.84 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 mpp? . . . . . 0 N--CA 1.485 1.312 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -86.87 142.45 28.03 Favored 'General case' 0 CA--C 1.547 0.833 0 O-C-N 120.817 -1.177 . . . . 0.0 112.054 177.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.48 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 73.3 m-85 -125.97 158.44 35.23 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 127.515 2.326 . . . . 0.0 108.794 179.387 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 73.6 tttt -108.43 161.76 14.74 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.068 1.347 . . . . 0.0 111.575 -179.581 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.746 HD22 ' HB3' ' A' ' 30' ' ' PHE . 24.0 tp -142.11 142.68 32.81 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 127.024 2.13 . . . . 0.0 110.272 172.686 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.4 mp -117.17 127.48 74.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 126.164 1.786 . . . . 0.0 109.238 172.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.8 mp -109.16 64.79 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 129.046 2.938 . . . . 0.0 109.152 -174.093 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -63.84 37.77 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 128.857 2.863 . . . . 0.0 117.016 -174.579 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.86 145.67 18.38 Favored Glycine 0 CA--C 1.524 0.629 0 O-C-N 120.92 -1.113 . . . . 0.0 115.202 -168.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.2 tptp -44.91 -38.41 4.63 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 128.385 2.674 . . . . 0.0 115.777 -169.351 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.2 p -123.75 9.14 8.86 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 -170.184 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.599 HD13 ' HB3' ' A' ' 37' ' ' ASN . 2.4 pp -149.35 -7.8 0.34 Allowed 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 117.657 2.465 . . . . 0.0 117.657 -168.352 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . 0.278 0.0 OUTLIER -20.62 133.09 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 119.379 3.103 . . . . 0.0 119.379 -166.726 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -172.94 -156.79 13.32 Favored Glycine 0 N--CA 1.469 0.867 0 N-CA-C 118.041 1.976 . . . . 0.0 118.041 170.417 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -145.35 163.89 33.16 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.831 1.653 . . . . 0.0 111.453 -176.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.3 t -159.01 -176.12 5.68 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.777 1.631 . . . . 0.0 111.015 170.189 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 65.8 p -142.9 168.16 20.37 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 126.244 1.818 . . . . 0.0 110.93 173.495 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.621 HG21 ' CG1' ' A' ' 29' ' ' VAL . 4.8 t -156.07 149.77 24.99 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.367 1.067 . . . . 0.0 111.085 177.418 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -77.63 119.24 20.9 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 167.682 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.45 175.4 9.64 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.284 1.434 . . . . 0.0 113.096 176.397 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 50.0 t -84.85 -38.44 13.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 O-C-N 121.345 -0.847 . . . . 0.0 111.673 170.56 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.48 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 2.8 t70 174.69 -156.8 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 131.248 3.819 . . . . 0.0 106.891 173.243 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.82 -21.44 1.68 Allowed 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 120.618 1.554 . . . . 0.0 114.082 169.544 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.18 -7.32 22.73 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.971 1.309 . . . . 0.0 113.848 173.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 53.4 m -138.0 -36.1 0.62 Allowed 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.977 1.711 . . . . 0.0 112.218 176.364 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.422 ' HA ' HG12 ' A' ' 29' ' ' VAL . . . -64.9 -36.15 83.43 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.047 1.339 . . . . 0.0 110.594 175.729 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -77.66 5.51 9.09 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 114.993 1.479 . . . . 0.0 114.993 178.189 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.61 16.43 3.98 Favored 'General case' 0 N--CA 1.464 0.265 0 O-C-N 120.415 -1.428 . . . . 0.0 111.932 173.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.621 ' CG1' HG21 ' A' ' 18' ' ' THR . 3.1 p -124.38 -41.02 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 124.205 1.002 . . . . 0.0 112.411 -179.686 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.746 ' HB3' HD22 ' A' ' 5' ' ' LEU . 23.9 m-85 -65.16 -29.62 70.47 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 118.997 -0.525 . . . . 0.0 111.826 170.36 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -55.22 -28.76 55.43 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.046 1.338 . . . . 0.0 113.146 177.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.44 -57.17 3.91 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 122.996 0.518 . . . . 0.0 110.445 175.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -63.69 -38.97 93.1 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.574 1.15 . . . . 0.0 112.473 -174.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.531 ' HB1' HG23 ' A' ' 39' ' ' VAL . . . -55.81 -52.78 62.81 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 125.204 1.402 . . . . 0.0 111.181 174.011 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 -63.2 -22.69 67.03 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 177.208 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -81.25 -27.81 35.02 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 119.336 0.971 . . . . 0.0 113.463 174.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.599 ' HB3' HD13 ' A' ' 12' ' ' LEU . 44.2 m-80 -76.75 -45.25 29.92 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 107.132 -1.432 . . . . 0.0 107.132 168.424 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 139.23 -8.04 3.19 Favored Glycine 0 CA--C 1.529 0.952 0 C-N-CA 127.1 2.286 . . . . 0.0 114.159 167.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.538 HG13 HD11 ' A' ' 12' ' ' LEU . 2.7 m -70.08 153.77 8.44 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.109 0.964 . . . . 0.0 113.367 176.798 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -168.92 22.59 0.02 OUTLIER 'General case' 0 CA--C 1.56 1.336 0 N-CA-C 115.53 1.678 . . . . 0.0 115.53 169.471 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.99 -131.18 0.58 Allowed Glycine 0 CA--C 1.541 1.71 0 C-N-CA 127.299 2.38 . . . . 0.0 116.194 -171.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -71.77 81.4 0.87 Allowed 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.067 1.347 . . . . 0.0 112.621 -175.494 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 87.3 m95 -60.23 118.51 6.46 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 124.675 1.19 . . . . 0.0 110.836 179.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.74 163.46 22.79 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 126.796 2.039 . . . . 0.0 110.916 -172.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -151.28 167.08 28.98 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.848 1.259 . . . . 0.0 111.219 177.327 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -139.65 125.26 19.32 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.57 1.548 . . . . 0.0 108.974 170.442 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.46 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 3.5 m-20 -84.48 -3.14 58.21 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 115.1 1.518 . . . . 0.0 115.1 -175.28 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -107.73 -29.49 9.08 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.066 1.346 . . . . 0.0 112.29 -178.353 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.1 t -111.63 0.46 16.37 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.671 0.789 . . . . 0.0 112.686 172.286 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.46 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 4.1 mmpt? 54.61 39.59 31.3 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 126.122 1.769 . . . . 0.0 113.008 169.472 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.9 m -122.74 108.8 13.46 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.93 1.292 . . . . 0.0 109.904 -170.222 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -64.71 161.64 17.46 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 122.395 1.093 . . . . 0.0 111.33 169.411 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 26.5 m -145.46 159.01 43.72 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 125.5 1.52 . . . . 0.0 107.519 169.48 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.2 p -148.28 124.03 2.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 C-N-CA 126.768 2.027 . . . . 0.0 106.473 171.701 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.6 m -129.59 129.08 43.95 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-O 121.863 0.839 . . . . 0.0 111.328 -176.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.49 ' CD ' HG12 ' A' ' 39' ' ' VAL . 5.7 mp0 -82.92 62.95 6.76 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.367 1.067 . . . . 0.0 112.46 -169.627 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.65 85.96 0.04 OUTLIER Glycine 0 CA--C 1.534 1.228 0 C-N-CA 125.857 1.694 . . . . 0.0 110.592 169.351 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 54.9 p -128.06 12.18 6.62 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 126.124 1.77 . . . . 0.0 114.533 -168.066 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -71.63 38.12 0.06 Allowed 'General case' 0 CA--C 1.556 1.179 0 C-N-CA 126.981 2.113 . . . . 0.0 113.794 179.148 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 20.2 t-80 -138.99 7.39 2.46 Favored 'General case' 0 CA--C 1.557 1.222 0 C-N-CA 126.453 1.901 . . . . 0.0 113.282 -169.511 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -142.55 -69.85 0.34 Allowed 'General case' 0 N--CA 1.478 0.967 0 O-C-N 120.178 -1.576 . . . . 0.0 113.996 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -161.43 73.53 0.44 Allowed 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.472 1.109 . . . . 0.0 110.379 -172.024 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.44 ' CG ' ' H ' ' A' ' 64' ' ' HIS . 20.1 t-80 46.11 -113.36 0.42 Allowed 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 124.818 1.247 . . . . 0.0 112.029 -179.526 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.44 ' H ' ' CG ' ' A' ' 63' ' ' HIS . 28.9 t-80 -152.07 133.93 14.86 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.584 1.954 . . . . 0.0 108.726 171.332 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 27.7 ttt -154.99 147.8 24.47 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.05 0.94 . . . . 0.0 111.573 -178.028 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 46.1 m-70 -141.25 151.57 43.82 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 125.67 1.588 . . . . 0.0 111.507 176.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -154.8 49.67 0.59 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.421 1.888 . . . . 0.0 108.407 170.195 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -141.39 -77.52 0.28 Allowed 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 126.0 1.72 . . . . 0.0 109.839 -169.138 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.2 t -81.88 171.28 14.66 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 119.204 0.911 . . . . 0.0 110.538 168.252 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 56.8 m -121.55 -24.68 0.06 OUTLIER Pre-proline 0 CA--C 1.553 1.088 0 N-CA-C 118.92 2.933 . . . . 0.0 118.92 -168.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -80.02 45.83 2.07 Favored 'Trans proline' 0 CA--C 1.551 1.371 0 C-N-CA 123.765 2.977 . . . . 0.0 113.579 -173.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.1 mp -118.67 24.65 10.76 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 127.968 2.507 . . . . 0.0 110.071 -174.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -58.07 -5.32 0.44 Allowed 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 117.475 2.398 . . . . 0.0 117.475 -168.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 20.6 p -65.22 -18.55 65.4 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 114.882 1.438 . . . . 0.0 114.882 178.065 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . 0.253 0.0 OUTLIER -76.12 128.32 34.73 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 119.186 0.903 . . . . 0.0 112.555 170.303 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 55.8 t -127.27 143.47 40.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 127.733 2.413 . . . . 0.0 111.789 -168.46 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -93.94 148.82 21.78 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 126.295 1.838 . . . . 0.0 110.839 170.184 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.554 HG13 ' HB3' ' A' ' 113' ' ' ALA . 0.9 OUTLIER -152.21 148.77 14.18 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.151 0 CA-C-O 122.706 1.241 . . . . 0.0 113.14 169.664 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -149.52 136.89 5.96 Favored Glycine 0 CA--C 1.528 0.896 0 C-N-CA 125.435 1.493 . . . . 0.0 109.376 168.651 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -155.28 147.25 23.49 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 115.563 1.69 . . . . 0.0 115.563 -168.647 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.3 tt 57.89 -50.54 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 131.39 3.876 . . . . 0.0 116.002 178.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 133.86 -26.0 3.49 Favored Glycine 0 CA--C 1.54 1.625 0 C-N-CA 128.108 2.766 . . . . 0.0 110.561 -168.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -144.84 116.5 8.15 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.883 2.073 . . . . 0.0 109.996 171.522 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -150.52 7.05 0.56 Allowed 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 127.719 2.408 . . . . 0.0 113.083 -178.218 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -74.84 36.09 1.04 Allowed Glycine 0 CA--C 1.536 1.404 0 C-N-CA 126.847 2.165 . . . . 0.0 116.114 -170.339 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -125.26 3.8 7.81 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 127.188 2.195 . . . . 0.0 111.364 173.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.4 pttp 52.27 -20.22 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 130.975 3.71 . . . . 0.0 119.578 -175.673 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 19.1 m -45.66 -56.88 4.69 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 126.076 1.75 . . . . 0.0 115.365 -169.125 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 50.9 tt0 -75.95 -43.93 42.47 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 121.454 -0.779 . . . . 0.0 111.219 -175.1 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.419 HD12 ' N ' ' A' ' 91' ' ' GLU . 3.5 pp -60.98 -34.06 74.19 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 119.314 0.961 . . . . 0.0 112.034 177.102 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.419 ' N ' HD12 ' A' ' 90' ' ' LEU . 31.8 tt0 -63.37 -46.4 86.69 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 124.759 1.224 . . . . 0.0 111.707 177.225 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.2 -36.98 82.87 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 119.155 0.888 . . . . 0.0 112.197 170.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.06 -44.95 95.57 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.096 0.958 . . . . 0.0 111.567 -177.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.488 ' HB2' HD11 ' A' ' 100' ' ' LEU . 12.5 m-85 -66.6 -64.09 0.93 Allowed 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 124.898 1.279 . . . . 0.0 112.011 174.49 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.44 -19.18 46.53 Favored Glycine 0 CA--C 1.546 1.974 0 N-CA-C 115.323 0.889 . . . . 0.0 115.323 -173.462 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -54.94 -49.3 71.69 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.987 1.715 . . . . 0.0 113.218 168.497 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -69.61 -41.06 76.19 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.431 0.692 . . . . 0.0 111.125 176.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -172.13 155.58 23.89 Favored Glycine 0 N--CA 1.472 1.059 0 CA-C-O 118.177 -1.346 . . . . 0.0 113.51 169.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -57.18 141.67 94.42 Favored 'Trans proline' 0 N--CA 1.462 -0.362 0 CA-C-N 121.255 2.527 . . . . 0.0 114.562 -169.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.581 HD13 ' CG2' ' A' ' 103' ' ' VAL . 17.9 mt -87.05 159.27 19.01 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.461 1.504 . . . . 0.0 111.475 171.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 33.1 ttp-105 -118.78 -30.46 5.09 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.679 1.592 . . . . 0.0 111.983 171.329 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.2 m -144.96 148.56 33.94 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.821 1.249 . . . . 0.0 110.706 169.059 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.581 ' CG2' HD13 ' A' ' 100' ' ' LEU . 68.8 t -138.17 131.06 40.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 125.452 1.501 . . . . 0.0 107.749 171.346 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 77.1 t90 -139.38 144.08 38.02 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 125.333 1.453 . . . . 0.0 110.04 -170.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 10.5 m -144.53 155.52 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 C-N-CA 124.391 1.076 . . . . 0.0 108.887 177.346 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -105.58 128.91 53.88 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 122.805 0.442 . . . . 0.0 110.187 176.425 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.83 -42.72 99.85 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-O 118.779 -0.629 . . . . 0.0 111.381 174.059 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -50.16 -61.65 3.48 Favored Pre-proline 0 CA--C 1.549 0.919 0 CA-C-O 117.247 -1.358 . . . . 0.0 111.299 -170.32 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -99.04 95.18 0.06 OUTLIER 'Trans proline' 0 CA--C 1.55 1.31 0 C-N-CA 123.638 2.892 . . . . 0.0 106.107 165.683 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -70.87 26.43 0.21 Allowed 'Trans proline' 0 CA--C 1.543 0.936 0 C-N-CA 124.064 3.176 . . . . 0.0 115.81 -168.388 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -137.1 17.73 3.58 Favored Glycine 0 N--CA 1.476 1.315 0 C-N-CA 125.978 1.751 . . . . 0.0 113.571 -178.054 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -136.68 146.43 45.91 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 127.41 2.284 . . . . 0.0 108.583 -174.376 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.554 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -163.61 175.92 10.17 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 -166.608 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -147.35 147.52 30.4 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.476 0.71 . . . . 0.0 111.733 172.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.441 HG11 ' CE2' ' A' ' 94' ' ' PHE . 17.1 m -135.5 170.8 18.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 O-C-N 120.734 -1.229 . . . . 0.0 112.993 178.002 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 48.9 tt0 -141.48 110.2 6.09 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 125.745 1.618 . . . . 0.0 107.785 179.471 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -75.86 160.56 29.81 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 173.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -58.01 -44.38 87.21 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.773 -0.579 . . . . 0.0 111.557 174.217 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -139.16 148.2 56.35 Favored Pre-proline 0 CA--C 1.546 0.802 0 O-C-N 120.956 -1.09 . . . . 0.0 111.531 -179.428 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_exo -49.74 -34.55 36.01 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 124.26 3.307 . . . . 0.0 115.253 177.534 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.34 -31.07 71.66 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 173.506 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -74.25 -44.43 52.99 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 118.327 0.512 . . . . 0.0 110.989 174.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.82 -39.21 88.16 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 172.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.13 -48.58 73.08 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 118.838 0.745 . . . . 0.0 112.324 176.391 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -58.04 -42.19 84.84 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 118.932 0.787 . . . . 0.0 111.817 174.187 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.78 -62.82 1.4 Allowed 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 123.146 0.579 . . . . 0.0 109.949 177.587 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 46.5 t -50.2 -40.46 17.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.559 1.144 . . . . 0.0 112.276 -179.577 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 37.9 ttp-105 -63.27 -42.06 99.09 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 177.527 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -102.06 -12.97 17.73 Favored 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 115.764 1.764 . . . . 0.0 115.764 -177.311 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.422 ' CD2' ' CD1' ' A' ' 94' ' ' PHE . 12.3 tp -106.63 -18.19 14.03 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 126.222 1.809 . . . . 0.0 113.584 -169.145 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -81.84 158.93 23.86 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 124.966 1.306 . . . . 0.0 113.149 177.242 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 60.17 -17.39 0.04 OUTLIER Glycine 0 CA--C 1.54 1.608 0 C-N-CA 129.129 3.252 . . . . 0.0 120.265 169.297 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 60.7 mtt85 -86.82 -37.48 17.73 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-N 119.413 1.607 . . . . 0.0 114.932 -169.32 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.4 t 123.57 160.23 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.627 1 C-N-CA 133.541 4.737 . . . . 0.0 110.245 -178.248 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 58.1 tp -161.66 138.89 8.65 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 127.664 2.386 . . . . 0.0 105.599 -178.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 53.0 m 66.17 -54.4 0.39 Allowed 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 125.002 1.321 . . . . 0.0 110.528 -167.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 141.7 60.64 0.03 OUTLIER Glycine 0 C--N 1.349 1.259 0 N-CA-C 118.544 2.178 . . . . 0.0 118.544 167.163 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 43.8 t -155.5 -61.77 0.11 Allowed 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 118.999 1.4 . . . . 0.0 111.721 169.091 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -164.56 150.06 10.17 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 126.283 1.833 . . . . 0.0 109.901 174.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 9.2 p -133.32 145.63 33.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 124.118 0.967 . . . . 0.0 112.397 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.99 121.78 28.69 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 128.015 2.526 . . . . 0.0 107.097 169.549 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 24.0 t -138.49 126.59 29.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 106.756 -1.572 . . . . 0.0 106.756 176.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -144.47 177.34 8.72 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 121.034 -1.041 . . . . 0.0 111.765 -169.546 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 9.5 mp -83.69 128.13 34.3 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 120.246 -1.534 . . . . 0.0 108.252 169.343 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.1 m -54.66 122.06 9.83 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.179 0.592 . . . . 0.0 111.458 177.12 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -136.91 -1.0 2.24 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.41 1.884 . . . . 0.0 111.718 -174.632 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -65.2 171.29 24.21 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 124.756 1.17 . . . . 0.0 114.445 175.225 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -136.83 149.82 47.95 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 126.229 1.812 . . . . 0.0 108.539 173.723 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' LYS . . . . . 0.452 ' HB2' ' HE2' ' A' ' 149' ' ' LYS . 0.0 OUTLIER -105.45 151.62 24.02 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 114.093 1.145 . . . . 0.0 114.093 -168.082 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.254 1.339 0 C-N-CA 125.736 1.614 . . . . 0.0 113.047 -169.666 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 151' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.099 3 C3'-C2'-C1' 105.753 4.725 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 152' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.433 -1.632 4 P-O3'-C3' 126.167 5.389 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.397 0 C3'-C2'-C1' 104.38 3.2 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.254 2 O4'-C1'-N19 113.043 4.843 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.5 tpt . . . . . 0 N--CA 1.486 1.337 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -92.66 136.33 33.32 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.915 1.234 . . . . 0.0 111.73 176.266 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.472 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 81.1 m-85 -122.53 153.17 39.57 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 127.158 2.183 . . . . 0.0 108.527 -175.473 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -105.95 163.13 13.0 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.344 1.058 . . . . 0.0 111.285 178.323 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.581 HD22 ' HB3' ' A' ' 30' ' ' PHE . 13.9 tp -144.18 139.14 28.59 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 127.023 2.129 . . . . 0.0 109.819 172.547 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.6 mp -115.0 109.02 26.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 125.867 1.667 . . . . 0.0 108.324 171.289 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.559 HD21 HD21 ' A' ' 5' ' ' LEU . 78.4 mt -77.35 74.79 3.91 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 124.804 1.242 . . . . 0.0 109.153 169.622 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.481 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 26.7 t30 -66.71 45.72 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 125.825 1.65 . . . . 0.0 114.813 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.78 125.49 7.96 Favored Glycine 0 CA--C 1.525 0.684 0 O-C-N 120.653 -1.279 . . . . 0.0 113.235 -177.52 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -35.9 -51.82 0.72 Allowed 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 128.61 2.764 . . . . 0.0 115.003 -172.563 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -113.76 1.64 14.91 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.521 1.128 . . . . 0.0 113.128 -169.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -146.49 -1.69 0.7 Allowed 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 117.092 2.256 . . . . 0.0 117.092 -169.076 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.618 ' HE2' ' H ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -34.61 149.03 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 119.308 3.077 . . . . 0.0 119.308 -168.519 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -166.63 -155.14 8.75 Favored Glycine 0 CA--C 1.533 1.188 0 CA-C-N 114.043 -1.435 . . . . 0.0 115.885 169.32 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -158.93 163.76 36.24 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.773 1.629 . . . . 0.0 112.275 -175.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.8 t -159.0 -174.96 5.01 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 126.185 1.794 . . . . 0.0 110.391 174.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 78.2 p -141.01 172.26 12.92 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.612 1.565 . . . . 0.0 110.522 172.136 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.3 t -158.88 152.47 23.01 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 121.131 -0.98 . . . . 0.0 111.538 173.416 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -79.29 123.61 27.61 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 167.167 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.408 ' HB3' ' CD1' ' A' ' 3' ' ' TYR . . . -143.93 173.93 11.28 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.115 1.766 . . . . 0.0 112.077 -178.416 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.1 p -86.36 -31.61 6.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 O-C-N 121.567 -0.708 . . . . 0.0 112.75 171.672 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.472 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 2.1 t70 167.82 -157.79 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.077 1 C-N-CA 131.992 4.117 . . . . 0.0 107.588 176.017 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.62 -22.49 2.04 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 120.439 -1.413 . . . . 0.0 114.194 169.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.95 -4.68 13.87 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.28 1.032 . . . . 0.0 113.756 173.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.5 m -137.07 -37.29 0.65 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.482 1.513 . . . . 0.0 112.278 173.144 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.22 -38.73 91.34 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.726 1.21 . . . . 0.0 111.088 176.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -74.51 3.3 7.85 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 179.363 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.412 ' HE3' HG23 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -132.65 19.96 4.26 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 125.557 1.543 . . . . 0.0 111.729 174.447 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.412 HG23 ' HE3' ' A' ' 28' ' ' LYS . 3.8 t -124.15 -48.94 2.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 124.94 1.296 . . . . 0.0 109.892 177.731 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.581 ' HB3' HD22 ' A' ' 5' ' ' LEU . 23.7 m-85 -62.5 -29.74 70.76 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 176.187 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -55.82 -32.55 63.67 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.192 0.997 . . . . 0.0 112.249 174.138 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -75.47 -51.69 12.43 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.239 0.616 . . . . 0.0 109.951 -179.419 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -61.62 -43.6 98.55 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.896 1.278 . . . . 0.0 112.529 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.74 -50.78 71.2 Favored 'General case' 0 N--CA 1.453 -0.281 0 O-C-N 121.267 -0.896 . . . . 0.0 111.249 178.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -70.88 -18.87 62.67 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-O 117.847 -1.073 . . . . 0.0 113.5 -179.304 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . 0.316 1.4 p30 -88.91 -17.79 28.84 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 120.146 1.339 . . . . 0.0 114.002 172.727 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 -81.79 -40.63 22.31 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 166.459 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.19 -3.56 7.28 Favored Glycine 0 CA--C 1.534 1.267 0 C-N-CA 128.698 3.047 . . . . 0.0 114.909 173.04 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.507 HG21 ' HB3' ' A' ' 7' ' ' LEU . 16.4 t -75.41 150.01 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 CA-C-N 118.898 1.349 . . . . 0.0 111.366 179.178 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -167.76 89.59 0.3 Allowed 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 113.522 -1.672 . . . . 0.0 108.772 167.675 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.652 ' H ' HG22 ' A' ' 54' ' ' VAL . . . -119.15 -149.64 8.57 Favored Glycine 0 CA--C 1.534 1.275 0 N-CA-C 116.992 1.557 . . . . 0.0 116.992 -178.346 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -67.24 88.99 0.19 Allowed 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.613 1.165 . . . . 0.0 111.719 174.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 82.1 m95 -61.54 116.51 4.78 Favored 'General case' 0 C--O 1.234 0.274 0 O-C-N 120.822 -1.174 . . . . 0.0 110.381 179.254 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.11 163.83 24.63 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 126.862 2.065 . . . . 0.0 110.811 -171.2 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -154.72 165.2 37.31 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.344 1.058 . . . . 0.0 111.975 -178.069 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -143.14 151.47 40.73 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.913 2.085 . . . . 0.0 109.647 -176.033 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.47 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -123.7 5.52 8.83 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 114.994 1.479 . . . . 0.0 114.994 -177.296 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -93.49 -29.53 15.49 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.718 1.207 . . . . 0.0 110.639 169.646 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.73 -7.22 4.56 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.021 0.928 . . . . 0.0 113.274 -176.054 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.47 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 1.8 mmpt? 61.01 44.49 10.32 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 126.191 1.797 . . . . 0.0 112.753 179.254 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 89.2 m -117.83 108.08 14.91 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.781 0.833 . . . . 0.0 111.547 -172.273 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -63.4 159.93 17.21 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 122.025 0.917 . . . . 0.0 110.712 168.503 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.5 m -146.06 158.97 43.88 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 124.989 1.316 . . . . 0.0 107.942 170.186 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.652 HG22 ' H ' ' A' ' 41' ' ' GLY . 14.0 p -152.29 89.49 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 122.399 1.095 . . . . 0.0 111.129 177.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.481 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 18.3 m -86.18 96.18 9.83 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 122.294 1.045 . . . . 0.0 112.236 -178.078 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -72.31 -11.98 60.94 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.85 0.86 . . . . 0.0 112.335 170.466 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.96 16.59 0.11 Allowed Glycine 0 CA--C 1.543 1.787 0 C-N-CA 126.731 2.11 . . . . 0.0 116.917 170.086 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.8 m -163.27 -27.13 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.871 1.668 . . . . 0.0 114.118 173.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 54.9 m80 -140.17 175.16 9.82 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.112 1.152 . . . . 0.0 114.112 -169.594 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -149.76 150.33 31.88 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 127.892 2.477 . . . . 0.0 108.541 177.082 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 -141.87 -26.24 0.67 Allowed 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 117.15 2.278 . . . . 0.0 117.15 -169.492 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 42.7 m80 -136.26 159.55 41.41 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.889 1.222 . . . . 0.0 112.722 -173.404 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 22.9 p80 -121.07 25.13 9.79 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 126.159 1.784 . . . . 0.0 111.345 171.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -61.49 -26.39 67.88 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 126.704 2.001 . . . . 0.0 114.014 -170.052 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 2.6 mpt? -138.56 162.24 35.06 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.928 1.691 . . . . 0.0 110.586 175.429 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 27.5 p80 -71.68 28.22 0.05 OUTLIER 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 126.28 1.832 . . . . 0.0 115.217 -178.257 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.94 35.41 0.37 Allowed 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 125.806 1.642 . . . . 0.0 113.409 177.261 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -110.48 178.85 4.25 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 128.068 2.547 . . . . 0.0 112.616 -175.175 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 78.0 p 41.45 -96.0 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 128.108 2.563 . . . . 0.0 116.018 172.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 42.6 t -152.28 136.47 10.19 Favored Pre-proline 0 CA--C 1.546 0.805 0 C-N-CA 125.624 1.57 . . . . 0.0 111.096 -174.633 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_exo -56.0 158.37 14.57 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 C-N-CA 123.196 2.597 . . . . 0.0 112.376 168.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 95.4 mt -130.04 160.25 34.27 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.452 1.101 . . . . 0.0 111.122 177.217 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 37.9 p-10 -128.24 -27.88 2.65 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 116.476 2.028 . . . . 0.0 116.476 -167.638 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.5 t -72.45 -4.99 33.62 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 114.548 1.314 . . . . 0.0 114.548 -176.228 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -88.44 124.19 33.72 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 126.407 1.883 . . . . 0.0 108.206 -176.155 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 82.7 t -122.4 137.62 55.3 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 C-N-CA 125.061 1.344 . . . . 0.0 112.298 -167.577 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -91.16 150.12 21.51 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 124.763 1.225 . . . . 0.0 109.25 168.411 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.656 HG13 ' HB3' ' A' ' 113' ' ' ALA . 0.2 OUTLIER -146.37 133.51 14.6 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.261 0 CA-C-O 121.331 0.586 . . . . 0.0 110.551 169.069 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -166.27 -170.05 30.68 Favored Glycine 0 N--CA 1.467 0.736 0 N-CA-C 116.061 1.184 . . . . 0.0 116.061 178.53 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 41.01 45.71 2.3 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.977 1.711 . . . . 0.0 112.208 -170.306 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 39.3 tp -122.67 -38.42 2.65 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.617 1.567 . . . . 0.0 112.83 -169.011 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 89.96 25.62 26.48 Favored Glycine 0 CA--C 1.535 1.331 0 N-CA-C 114.319 0.488 . . . . 0.0 114.319 -176.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -63.29 -16.61 60.85 Favored 'General case' 0 CA--C 1.551 1.009 0 CA-C-N 118.518 1.159 . . . . 0.0 113.931 176.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 44.98 41.01 4.93 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 127.909 2.484 . . . . 0.0 114.291 176.06 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 53.27 35.87 51.23 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 125.995 1.759 . . . . 0.0 115.582 177.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -116.29 -1.24 12.39 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.865 1.266 . . . . 0.0 112.344 -179.109 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.5 pttp 46.63 -25.47 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.376 1 C-N-CA 132.927 4.491 . . . . 0.0 120.881 177.134 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 95.8 m -47.5 -49.1 26.76 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 126.894 2.078 . . . . 0.0 114.619 -168.629 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -77.44 -44.84 27.66 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 119.006 0.821 . . . . 0.0 111.553 -178.14 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.434 HD12 ' N ' ' A' ' 91' ' ' GLU . 3.3 pp -62.52 -35.66 80.12 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 119.626 1.103 . . . . 0.0 111.71 177.7 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.434 ' N ' HD12 ' A' ' 90' ' ' LEU . 37.6 tt0 -64.37 -47.65 78.49 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.563 1.545 . . . . 0.0 112.027 178.581 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.8 ppt_? -66.59 -38.52 87.2 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 118.938 0.79 . . . . 0.0 111.485 171.388 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.36 -40.95 98.08 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 123.904 0.882 . . . . 0.0 111.702 -177.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.436 ' CE2' HG11 ' A' ' 115' ' ' VAL . 13.4 m-85 -69.42 -64.92 0.78 Allowed 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 124.076 0.95 . . . . 0.0 111.803 172.23 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -57.85 -18.62 33.33 Favored Glycine 0 CA--C 1.548 2.106 0 N-CA-C 115.706 1.043 . . . . 0.0 115.706 -175.546 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -53.41 -49.94 66.22 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.525 1.93 . . . . 0.0 112.879 168.445 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -70.69 -44.43 67.0 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.643 0.777 . . . . 0.0 111.079 178.301 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -168.78 160.19 33.57 Favored Glycine 0 N--CA 1.478 1.44 0 CA-C-O 118.472 -1.182 . . . . 0.0 113.266 174.595 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -67.06 138.63 48.23 Favored 'Trans proline' 0 CA--C 1.534 0.493 0 CA-C-N 121.417 2.609 . . . . 0.0 113.577 -169.597 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.497 HD13 ' CG2' ' A' ' 103' ' ' VAL . 14.7 mt -77.91 154.74 31.39 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.631 1.572 . . . . 0.0 112.181 177.658 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 26.2 ttp180 -110.02 -27.64 9.1 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 126.576 1.95 . . . . 0.0 111.975 170.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 13.8 m -157.6 151.43 24.2 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.227 1.411 . . . . 0.0 111.997 169.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.497 ' CG2' HD13 ' A' ' 100' ' ' LEU . 72.2 t -137.5 131.21 43.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 125.34 1.456 . . . . 0.0 109.046 170.378 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 65.2 t90 -137.32 144.01 42.38 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 127.326 2.251 . . . . 0.0 108.749 -178.449 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 35.8 m -142.95 30.05 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.352 0 CA-C-O 123.503 1.621 . . . . 0.0 112.848 -169.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.428 ' HB1' ' C2 ' ' B' ' 153' ' ' ' U' . . . 58.74 162.81 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 130.549 3.54 . . . . 0.0 117.589 -171.457 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 59.8 ttp85 -77.08 -22.43 52.82 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.906 1.283 . . . . 0.0 113.259 -175.456 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -129.07 129.61 23.39 Favored Pre-proline 0 CA--C 1.544 0.714 0 C-N-CA 126.369 1.868 . . . . 0.0 106.505 169.118 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -61.07 109.63 0.73 Allowed 'Trans proline' 0 CA--C 1.542 0.899 0 C-N-CA 124.752 3.634 . . . . 0.0 113.642 -168.22 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_endo -106.62 -9.36 0.09 OUTLIER 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 122.643 2.228 . . . . 0.0 114.19 -171.63 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 88.68 -18.1 45.31 Favored Glycine 0 CA--C 1.538 1.491 0 C-N-CA 125.126 1.346 . . . . 0.0 113.126 -169.591 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . 0.277 0.0 OUTLIER -96.49 -179.88 4.77 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 127.439 2.295 . . . . 0.0 113.255 170.352 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.656 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -174.6 173.07 2.94 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 127.713 2.405 . . . . 0.0 110.652 -170.274 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -145.16 141.36 28.67 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.026 0.93 . . . . 0.0 110.106 170.642 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.436 HG11 ' CE2' ' A' ' 94' ' ' PHE . 9.7 m -135.57 172.34 15.91 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 O-C-N 120.667 -1.27 . . . . 0.0 112.658 -177.248 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -147.67 137.97 23.04 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 124.727 1.211 . . . . 0.0 109.208 169.62 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.491 ' HB2' ' HB2' ' A' ' 123' ' ' ALA . 45.9 m-85 -96.75 168.83 10.27 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.18 0.992 . . . . 0.0 112.444 178.411 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -70.52 -27.74 64.41 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 172.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -144.78 126.67 8.0 Favored Pre-proline 0 CA--C 1.548 0.89 0 C-N-CA 124.569 1.148 . . . . 0.0 111.243 -172.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.457 ' HA ' ' HB3' ' A' ' 123' ' ' ALA . 62.7 Cg_endo -68.67 -20.14 40.82 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 123.582 2.855 . . . . 0.0 114.144 -174.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 21.1 ttp-105 -59.63 -49.11 79.01 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 120.211 1.369 . . . . 0.0 109.411 169.101 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -76.29 -33.99 59.09 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.949 -176.696 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.491 ' HB2' ' HB2' ' A' ' 117' ' ' PHE . . . -59.03 -43.59 91.65 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.301 0.641 . . . . 0.0 111.552 169.765 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -68.8 -41.86 78.13 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.636 0.775 . . . . 0.0 111.914 178.52 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -61.59 -41.0 96.77 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 118.515 0.598 . . . . 0.0 111.579 174.565 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.76 -55.75 20.82 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.343 1.057 . . . . 0.0 110.984 174.59 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 24.3 t -51.13 -47.54 31.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 125.271 1.429 . . . . 0.0 111.66 176.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 32.4 ttp-105 -57.62 -44.09 85.25 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.089 0.956 . . . . 0.0 111.839 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -95.73 -13.52 24.11 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 114.828 1.418 . . . . 0.0 114.828 -172.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 32.6 mt -87.01 -39.61 15.5 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.292 1.437 . . . . 0.0 113.331 175.325 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -63.0 149.08 45.82 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 114.621 1.341 . . . . 0.0 114.621 -169.635 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 61.19 -14.75 0.05 OUTLIER Glycine 0 CA--C 1.541 1.712 0 N-CA-C 120.292 2.877 . . . . 0.0 120.292 168.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 69.8 mtt85 -81.14 -65.56 1.0 Allowed 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 119.059 1.43 . . . . 0.0 113.425 -168.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 6.1 m 149.47 143.32 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.324 1 C-N-CA 131.97 4.108 . . . . 0.0 106.934 -169.719 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 42.3 tp -146.63 -59.59 0.29 Allowed 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.286 0.635 . . . . 0.0 111.098 175.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 15.8 t -91.62 -46.56 7.87 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.405 0.682 . . . . 0.0 110.648 171.601 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 155.47 51.16 0.01 OUTLIER Glycine 0 CA--C 1.533 1.195 0 N-CA-C 114.963 0.745 . . . . 0.0 114.963 170.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 5.8 t -149.27 -153.74 0.51 Allowed 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 124.503 1.121 . . . . 0.0 111.654 -172.185 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -110.77 61.96 0.61 Allowed 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 127.081 2.152 . . . . 0.0 110.396 -174.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 48.9 t -43.29 136.43 0.91 Allowed 'Isoleucine or valine' 0 CA--C 1.519 -0.244 0 C-N-CA 128.967 2.907 . . . . 0.0 113.932 -167.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.51 124.27 41.91 Favored 'General case' 0 CA--C 1.512 -0.505 0 C-N-CA 126.403 1.881 . . . . 0.0 106.46 169.478 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 78.5 t -141.22 115.33 5.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 105.5 -2.037 . . . . 0.0 105.5 170.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -141.69 -178.5 5.68 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 118.956 0.798 . . . . 0.0 112.871 -167.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 13.7 tp -80.61 128.73 33.95 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 120.753 -1.217 . . . . 0.0 108.272 168.291 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 59.9 p -72.12 86.18 1.05 Allowed 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 -171.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -72.45 68.53 0.79 Allowed 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 127.105 2.162 . . . . 0.0 111.995 177.068 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -152.94 -30.83 0.03 OUTLIER Glycine 0 CA--C 1.536 1.402 0 N-CA-C 116.34 1.296 . . . . 0.0 116.34 177.238 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -163.99 178.0 8.06 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 119.668 1.734 . . . . 0.0 112.489 176.163 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 14.6 pttm -141.02 151.25 43.94 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.969 1.308 . . . . 0.0 112.91 169.13 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? . . . . . 0 C--O 1.252 1.228 0 C-N-CA 126.86 2.064 . . . . 0.0 111.699 177.826 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 151' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.007 0 C2'-C3'-O3' 121.098 3.607 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 152' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.674 2 P-O3'-C3' 127.108 6.173 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 153' ' ' ' U' . . . . . 0.428 ' C2 ' ' HB1' ' A' ' 106' ' ' ALA . . . . . . . . 0 C5'--C4' 1.539 2.257 4 N19-C1'-C2' 122.23 5.519 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 020 nuclear build full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.709 4 O4'-C1'-N19 114.557 6.357 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.484 1.248 0 CA-C-O 120.478 0.18 . . . . 0.0 110.528 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -84.3 145.25 28.37 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 120.804 -1.185 . . . . 0.0 112.565 -177.053 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.413 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 86.5 m-85 -127.75 158.32 37.98 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 127.553 2.341 . . . . 0.0 108.885 176.86 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -109.51 161.88 14.91 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.945 1.298 . . . . 0.0 111.568 -179.039 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.623 HD22 ' HB3' ' A' ' 30' ' ' PHE . 17.5 tp -143.15 140.84 30.98 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 126.676 1.99 . . . . 0.0 110.547 173.495 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mp -114.9 129.8 70.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 126.644 1.978 . . . . 0.0 107.853 169.454 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.565 HD21 HD21 ' A' ' 5' ' ' LEU . 78.0 mt -106.93 69.39 0.76 Allowed 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 127.951 2.5 . . . . 0.0 110.721 173.262 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -59.57 113.4 2.2 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 120.678 -1.264 . . . . 0.0 111.139 169.329 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -158.77 169.05 35.06 Favored Glycine 0 CA--C 1.532 1.144 0 N-CA-C 116.753 1.461 . . . . 0.0 116.753 179.674 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . 0.252 0.0 OUTLIER -43.57 -51.76 6.67 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 118.406 2.743 . . . . 0.0 118.406 -168.441 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.4 m -143.78 24.46 1.69 Allowed 'General case' 0 N--CA 1.481 1.087 0 CA-C-O 121.369 0.605 . . . . 0.0 112.488 -169.47 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.635 HD11 HG23 ' A' ' 39' ' ' VAL . 1.1 pp -150.36 -2.64 0.37 Allowed 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 116.456 2.021 . . . . 0.0 116.456 -169.088 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -30.53 132.55 0.08 Allowed 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 115.716 1.747 . . . . 0.0 115.716 -166.984 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -161.46 -171.0 26.91 Favored Glycine 0 C--O 1.223 -0.539 0 N-CA-C 118.537 2.175 . . . . 0.0 118.537 172.979 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -152.2 156.85 40.56 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.23 1.412 . . . . 0.0 111.812 178.01 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.1 t -158.45 -176.15 5.73 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 126.123 1.769 . . . . 0.0 110.074 -175.544 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 65.3 p -142.51 169.97 16.59 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.506 1.523 . . . . 0.0 111.095 176.738 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.614 HG21 ' CG1' ' A' ' 29' ' ' VAL . 4.9 t -155.65 149.56 25.39 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.328 1.051 . . . . 0.0 111.06 176.589 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -77.5 119.92 21.76 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 107.394 -1.335 . . . . 0.0 107.394 167.78 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.01 175.89 9.17 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.001 1.32 . . . . 0.0 113.43 177.358 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 68.0 t -81.4 -46.61 20.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 O-C-N 121.291 -0.881 . . . . 0.0 110.584 169.566 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.413 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 4.6 t70 178.32 -156.95 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 130.846 3.658 . . . . 0.0 106.098 177.22 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.03 -20.72 1.49 Allowed 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 120.92 1.691 . . . . 0.0 114.36 170.504 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.93 -9.71 23.34 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.452 1.101 . . . . 0.0 113.808 172.17 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 54.5 m -140.76 -31.85 0.59 Allowed 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.739 1.616 . . . . 0.0 112.518 178.86 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.416 ' HA ' HG12 ' A' ' 29' ' ' VAL . . . -68.57 -36.65 79.05 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.58 1.152 . . . . 0.0 110.62 173.25 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -78.99 6.57 9.01 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 114.832 1.419 . . . . 0.0 114.832 179.625 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.64 19.12 3.89 Favored 'General case' 0 N--CA 1.463 0.204 0 O-C-N 120.573 -1.33 . . . . 0.0 111.408 172.893 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.614 ' CG1' HG21 ' A' ' 18' ' ' THR . 3.6 p -125.73 -42.13 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 124.021 0.929 . . . . 0.0 112.263 178.248 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.623 ' HB3' HD22 ' A' ' 5' ' ' LEU . 23.2 m-85 -64.77 -26.22 68.26 Favored 'General case' 0 C--O 1.224 -0.273 0 O-C-N 121.706 -0.621 . . . . 0.0 112.246 170.261 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.406 ' HD3' ' CZ2' ' A' ' 43' ' ' TRP . 33.8 mmtp -56.67 -28.38 60.64 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.883 1.273 . . . . 0.0 112.855 173.935 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -79.85 -52.22 8.17 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 118.706 0.685 . . . . 0.0 110.79 176.645 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -62.48 -41.0 98.49 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.215 1.006 . . . . 0.0 112.222 -179.337 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.49 -49.51 77.26 Favored 'General case' 0 N--CA 1.453 -0.286 0 O-C-N 121.317 -0.864 . . . . 0.0 111.426 -179.355 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 59.0 m-80 -69.91 -19.98 63.38 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 178.708 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -79.54 -30.91 41.95 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 173.639 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 57.5 m-80 -80.83 -32.28 35.24 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 118.4 0.545 . . . . 0.0 109.549 168.688 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.36 12.93 9.3 Favored Glycine 0 CA--C 1.53 1.003 0 C-N-CA 128.125 2.774 . . . . 0.0 116.2 169.193 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.635 HG23 HD11 ' A' ' 12' ' ' LEU . 51.9 t -92.6 150.82 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.881 1.273 . . . . 0.0 112.105 172.721 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -165.22 51.35 0.1 Allowed 'General case' 0 CA--C 1.548 0.886 0 CA-C-O 123.03 1.395 . . . . 0.0 110.276 168.414 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -75.85 -149.25 2.47 Favored Glycine 0 CA--C 1.544 1.883 0 C-N-CA 125.304 1.431 . . . . 0.0 115.767 178.874 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -69.22 92.9 0.58 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.275 1.43 . . . . 0.0 112.438 179.827 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.406 ' CZ2' ' HD3' ' A' ' 31' ' ' LYS . 96.0 m95 -65.41 113.1 3.87 Favored 'General case' 0 C--O 1.235 0.339 0 O-C-N 120.677 -1.264 . . . . 0.0 109.975 179.526 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 24.6 m -133.07 161.53 34.13 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 127.898 2.479 . . . . 0.0 108.502 -169.215 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -155.07 167.71 29.46 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.855 1.262 . . . . 0.0 111.116 -169.659 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -141.37 150.43 42.4 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.23 1.412 . . . . 0.0 110.368 176.971 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.474 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -115.49 5.09 14.38 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 -176.61 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -102.46 -29.78 11.4 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.782 1.633 . . . . 0.0 111.71 171.234 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.0 t -125.45 2.04 7.67 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.329 1.052 . . . . 0.0 113.469 178.053 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.474 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 3.2 mmpt? 51.29 42.61 29.17 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.032 1.333 . . . . 0.0 113.191 168.821 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.8 m -120.62 111.74 18.02 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 125.907 1.683 . . . . 0.0 109.0 -171.355 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -65.04 156.63 30.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 122.1 0.952 . . . . 0.0 109.836 169.173 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.5 m -146.73 137.1 23.71 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 106.737 -1.579 . . . . 0.0 106.737 169.745 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.412 ' CG1' HD23 ' A' ' 7' ' ' LEU . 8.6 p -131.04 125.74 58.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 175.681 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 89.9 m -132.55 119.72 20.9 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.203 0.601 . . . . 0.0 110.475 -169.848 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -69.43 66.55 0.19 Allowed 'General case' 0 CA--C 1.552 1.056 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 -179.496 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 91.83 59.16 1.35 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 120.797 -1.189 . . . . 0.0 113.563 170.629 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.3 p 60.07 -11.8 0.04 OUTLIER 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 128.957 2.903 . . . . 0.0 117.442 -177.147 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . 0.27 3.0 p-80 -74.47 79.94 1.93 Allowed 'General case' 0 CA--C 1.548 0.868 0 CA-C-O 122.465 1.126 . . . . 0.0 111.785 179.068 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 71.9 m80 -67.89 64.57 0.09 Allowed 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 127.016 2.126 . . . . 0.0 112.031 178.214 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 15.9 t-160 -66.54 16.58 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 129.43 3.092 . . . . 0.0 115.514 -171.151 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -63.43 163.45 10.8 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.449 1.1 . . . . 0.0 113.709 -174.848 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -136.24 73.93 1.48 Allowed 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 125.81 1.644 . . . . 0.0 108.926 178.557 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -161.55 20.1 0.11 Allowed 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.653 1.181 . . . . 0.0 113.968 170.457 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -61.89 91.7 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 126.517 1.927 . . . . 0.0 110.853 -175.541 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 37.3 t-80 51.87 46.61 26.3 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 124.334 1.053 . . . . 0.0 110.397 -167.835 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.68 34.89 22.58 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 126.143 1.777 . . . . 0.0 113.469 -170.133 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 50.18 33.55 7.33 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 127.571 2.348 . . . . 0.0 113.829 -175.889 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.2 m -75.61 57.83 1.01 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.036 1.734 . . . . 0.0 114.622 -171.067 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 26.1 p -131.53 56.88 26.86 Favored Pre-proline 0 CA--C 1.557 1.221 0 C-N-CA 125.472 1.509 . . . . 0.0 112.931 176.912 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -74.94 175.48 11.17 Favored 'Trans proline' 0 CA--C 1.542 0.909 0 C-N-CA 124.017 3.144 . . . . 0.0 113.291 -176.11 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 91.1 mt -58.01 -22.23 48.71 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 175.663 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -58.1 -22.85 52.5 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.602 1.161 . . . . 0.0 113.523 174.164 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 88.0 m -67.16 -33.21 74.92 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.619 1.168 . . . . 0.0 113.039 171.822 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -84.37 150.05 25.62 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.887 1.275 . . . . 0.0 112.139 -178.005 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.3 t -139.53 137.75 40.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 125.953 1.701 . . . . 0.0 111.539 -170.082 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -88.85 146.54 24.9 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 125.65 1.58 . . . . 0.0 108.006 167.666 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -149.15 154.57 9.4 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.441 0 CA-C-O 122.316 1.055 . . . . 0.0 111.333 171.031 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -137.89 142.02 12.8 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 108.367 -1.893 . . . . 0.0 108.367 168.095 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -153.19 135.88 15.27 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 118.202 1.001 . . . . 0.0 113.375 -168.174 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 35.5 tp 64.55 -42.44 0.29 Allowed 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 129.221 3.008 . . . . 0.0 115.498 177.341 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 146.59 -146.77 17.08 Favored Glycine 0 CA--C 1.529 0.941 0 C-N-CA 124.959 1.266 . . . . 0.0 111.768 -174.56 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -61.85 56.29 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 127.695 2.398 . . . . 0.0 114.386 170.312 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -149.51 176.15 10.86 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.36 1.864 . . . . 0.0 111.48 -178.536 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -171.05 110.65 0.37 Allowed Glycine 0 CA--C 1.529 0.936 0 C-N-CA 123.548 0.594 . . . . 0.0 112.664 -179.727 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -146.73 130.87 17.36 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.503 1.121 . . . . 0.0 110.255 170.982 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.08 -26.93 68.44 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 115.767 1.766 . . . . 0.0 115.767 -178.239 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 32.8 m -51.54 -64.19 0.89 Allowed 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 115.584 1.698 . . . . 0.0 115.584 -168.133 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -75.06 -41.42 59.05 Favored 'General case' 0 CA--C 1.53 0.183 0 O-C-N 121.041 -1.037 . . . . 0.0 110.857 -174.682 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.9 pp -58.79 -35.93 73.62 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 119.551 1.069 . . . . 0.0 111.806 176.033 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -60.93 -48.13 83.23 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 119.578 1.081 . . . . 0.0 112.335 174.57 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.94 -40.1 91.05 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 119.564 1.075 . . . . 0.0 111.992 174.36 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.8 -39.21 93.71 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 124.427 1.091 . . . . 0.0 112.018 -178.01 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.476 ' CD2' HG21 ' A' ' 115' ' ' VAL . 10.7 m-85 -72.07 -63.15 1.2 Allowed 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 125.346 1.458 . . . . 0.0 111.968 173.301 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -62.09 -13.8 43.48 Favored Glycine 0 CA--C 1.544 1.856 0 N-CA-C 115.557 0.983 . . . . 0.0 115.557 -176.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -55.07 -47.1 75.31 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.629 1.571 . . . . 0.0 111.695 167.392 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -67.39 -45.33 76.52 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.773 0.829 . . . . 0.0 110.116 172.776 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 174.46 165.02 30.31 Favored Glycine 0 N--CA 1.476 1.301 0 N-CA-C 115.363 0.905 . . . . 0.0 115.363 169.082 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -57.65 138.74 87.59 Favored 'Trans proline' 0 CA--C 1.536 0.591 0 C-N-CA 122.744 2.296 . . . . 0.0 114.688 -168.277 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.419 ' HA ' ' HA ' ' A' ' 117' ' ' PHE . 0.2 OUTLIER -118.04 142.47 47.36 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.019 1.328 . . . . 0.0 112.101 173.514 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 15.3 ttm-85 -75.17 -33.9 61.52 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.802 1.641 . . . . 0.0 111.128 179.754 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 14.3 m -151.4 153.18 34.21 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 113.502 0.926 . . . . 0.0 113.502 178.822 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 2.4 m -130.13 137.96 55.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 C-N-CA 128.558 2.743 . . . . 0.0 106.85 169.869 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.45 ' CH2' ' HA ' ' A' ' 106' ' ' ALA . 73.9 t90 -141.79 147.92 38.07 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 124.933 1.293 . . . . 0.0 110.798 -175.559 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 24.3 m -143.26 154.49 16.73 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 C-N-CA 125.607 1.563 . . . . 0.0 109.271 174.414 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.45 ' HA ' ' CH2' ' A' ' 104' ' ' TRP . . . -75.62 106.38 7.15 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -170.308 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 5.9 mmm180 -68.44 -18.99 64.55 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 125.137 1.375 . . . . 0.0 113.93 170.925 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -72.51 -157.68 0.0 OUTLIER Pre-proline 0 CA--C 1.57 1.713 0 C-N-CA 126.659 1.984 . . . . 0.0 107.714 168.102 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -49.41 123.61 10.58 Favored 'Trans proline' 0 CA--C 1.55 1.299 0 CA-C-N 123.606 2.324 . . . . 0.0 112.086 169.235 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -80.27 159.9 23.13 Favored 'Trans proline' 0 CA--C 1.541 0.831 0 C-N-CA 122.974 2.45 . . . . 0.0 112.197 -176.266 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 160.31 -31.53 0.39 Allowed Glycine 0 CA--C 1.535 1.308 0 C-N-CA 123.784 0.707 . . . . 0.0 114.325 -178.543 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.406 ' CZ ' ' C5 ' ' B' ' 153' ' ' ' U' 0.262 1.8 p90 -141.69 -176.6 4.82 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.698 1.599 . . . . 0.0 111.742 178.041 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -157.0 172.02 19.43 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 127.796 2.439 . . . . 0.0 112.575 -167.991 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -145.46 168.43 20.57 Favored 'General case' 0 N--CA 1.484 1.244 0 O-C-N 121.34 -0.85 . . . . 0.0 112.651 172.919 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.476 HG21 ' CD2' ' A' ' 94' ' ' PHE . 1.4 t -153.12 162.26 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 126.112 1.765 . . . . 0.0 111.824 -174.898 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -137.58 107.65 6.37 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.257 1.023 . . . . 0.0 109.666 165.98 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.419 ' HA ' ' HA ' ' A' ' 100' ' ' LEU . 44.8 m-85 -78.05 152.68 32.85 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.74 1.616 . . . . 0.0 111.452 169.563 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -73.98 -57.03 4.24 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.297 -0.877 . . . . 0.0 111.757 176.648 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -82.52 124.29 77.9 Favored Pre-proline 0 CA--C 1.545 0.78 0 O-C-N 121.462 -0.774 . . . . 0.0 109.431 173.445 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -61.33 -20.07 66.71 Favored 'Trans proline' 0 CA--C 1.539 0.73 0 C-N-CA 121.82 1.68 . . . . 0.0 112.976 172.932 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.54 -27.25 62.11 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 120.979 -1.076 . . . . 0.0 112.709 169.921 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -67.91 -43.79 78.44 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 120.009 1.277 . . . . 0.0 110.296 169.726 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.08 -40.29 93.14 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 122.957 0.503 . . . . 0.0 112.244 172.002 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.28 -48.76 76.77 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 118.735 0.698 . . . . 0.0 112.196 174.757 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -60.2 -39.6 87.12 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.433 1.015 . . . . 0.0 112.499 174.387 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.25 -59.22 5.65 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 123.848 0.859 . . . . 0.0 109.779 175.672 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 45.0 t -49.09 -45.43 16.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 CA-C-N 119.752 1.16 . . . . 0.0 112.287 173.768 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -63.39 -36.94 85.38 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 126.142 1.777 . . . . 0.0 112.772 -176.014 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -106.34 -19.43 13.7 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 -176.961 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 94.9 mt -97.38 -33.24 11.49 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.082 1.353 . . . . 0.0 113.931 -177.666 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -64.91 113.38 3.81 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 120.261 1.391 . . . . 0.0 112.599 -169.824 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 70.65 14.9 72.94 Favored Glycine 0 CA--C 1.54 1.622 0 N-CA-C 115.14 0.816 . . . . 0.0 115.14 -173.449 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.01 97.46 6.96 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 126.107 1.763 . . . . 0.0 110.005 178.953 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 19.0 m -9.47 110.01 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 130.463 3.505 . . . . 0.0 114.99 171.954 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.85 138.59 25.75 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 127.786 2.434 . . . . 0.0 105.836 -179.479 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 68.5 m 64.68 -41.0 0.27 Allowed 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 126.478 1.911 . . . . 0.0 111.55 -166.23 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 113.63 47.79 0.61 Allowed Glycine 0 CA--C 1.528 0.894 0 N-CA-C 119.126 2.41 . . . . 0.0 119.126 165.763 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 4.7 t -151.83 -39.27 0.11 Allowed 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 118.634 1.217 . . . . 0.0 112.994 169.073 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.96 156.9 1.82 Allowed 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 128.029 2.532 . . . . 0.0 110.618 169.12 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 32.9 m -141.73 162.47 20.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 169.851 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.431 HH11 ' HG2' ' A' ' 141' ' ' ARG . 0.0 OUTLIER -133.3 141.1 47.81 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 129.174 2.989 . . . . 0.0 106.747 169.042 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 60.2 t -149.4 124.65 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 CA-C-N 119.846 1.203 . . . . 0.0 108.653 169.551 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -140.84 167.53 21.96 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 120.356 1.434 . . . . 0.0 111.101 178.938 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 71.1 mt -74.6 147.73 41.4 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 120.067 -1.645 . . . . 0.0 108.367 168.331 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 87.9 p -68.06 118.35 11.11 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 119.321 0.964 . . . . 0.0 111.796 -178.892 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -128.49 0.29 5.6 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.972 1.709 . . . . 0.0 113.211 -173.276 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -132.95 151.36 20.0 Favored Glycine 0 CA--C 1.533 1.21 0 C-N-CA 124.112 0.863 . . . . 0.0 113.896 -177.02 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -171.83 161.96 6.0 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 128.82 2.848 . . . . 0.0 108.117 173.668 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -131.91 36.74 3.66 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 115.826 1.787 . . . . 0.0 115.826 -174.834 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 32.2 mmt-85 . . . . . 0 C--O 1.252 1.196 0 C-N-CA 126.122 1.769 . . . . 0.0 112.259 -171.715 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 151' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.104 0 C2'-C3'-O3' 121.054 3.591 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 152' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.122 3 O4'-C1'-N19 113.989 5.789 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 153' ' ' ' U' . . . . . 0.406 ' C5 ' ' CZ ' ' A' ' 112' ' ' PHE . . . . . . . . 0 O4'--C4' 1.422 -2.59 1 O4'-C1'-N19 115.536 7.336 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 021 nuclear build full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.372 2 O4'-C1'-N19 115.128 6.928 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.9 tpt . . . . . 0 N--CA 1.483 1.22 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -94.15 138.1 32.58 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 120.809 -1.182 . . . . 0.0 111.468 178.335 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.423 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 86.9 m-85 -125.82 154.27 42.86 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 126.644 1.978 . . . . 0.0 108.762 -175.701 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -105.05 161.46 14.2 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.512 1.125 . . . . 0.0 111.375 -179.587 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.643 HD22 ' HB3' ' A' ' 30' ' ' PHE . 13.3 tp -142.98 139.47 30.64 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 126.145 1.778 . . . . 0.0 110.31 172.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mp -116.04 111.31 34.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 126.128 1.771 . . . . 0.0 108.444 171.756 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.482 HD21 HD21 ' A' ' 5' ' ' LEU . 71.3 mt -80.92 72.12 7.91 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.893 1.677 . . . . 0.0 110.597 169.707 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 57.3 m-20 -60.78 59.12 0.01 OUTLIER 'General case' 0 CA--C 1.561 1.393 0 C-N-CA 125.956 1.702 . . . . 0.0 114.348 169.571 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -88.77 175.64 43.78 Favored Glycine 0 CA--C 1.531 1.094 0 O-C-N 119.716 -1.865 . . . . 0.0 115.814 178.416 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.11 -57.69 11.77 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 115.662 1.727 . . . . 0.0 115.662 -173.306 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 35.4 p -129.64 3.6 5.02 Favored 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 114.925 1.454 . . . . 0.0 114.925 -168.806 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.513 HD23 ' H ' ' A' ' 12' ' ' LEU . 2.6 pt? -134.33 -2.68 2.77 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.882 1.673 . . . . 0.0 115.441 -169.163 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.522 ' HE2' ' H ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -40.13 145.72 0.15 Allowed 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 117.261 2.319 . . . . 0.0 117.261 -168.539 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -175.3 -153.91 10.72 Favored Glycine 0 CA--C 1.529 0.948 0 N-CA-C 116.691 1.436 . . . . 0.0 116.691 169.966 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -152.51 159.36 43.32 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 119.12 1.46 . . . . 0.0 113.776 -173.15 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.7 t -158.85 -175.84 5.52 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.555 1.942 . . . . 0.0 110.675 -177.148 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.7 p -141.49 171.96 13.34 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.564 1.546 . . . . 0.0 110.987 173.748 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.63 HG21 HG11 ' A' ' 29' ' ' VAL . 4.4 t -156.68 155.02 31.02 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.592 1.157 . . . . 0.0 110.921 179.496 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -85.29 125.63 33.07 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 107.745 -1.205 . . . . 0.0 107.745 167.658 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.408 ' HB3' ' CD1' ' A' ' 3' ' ' TYR . . . -143.09 173.34 11.66 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.921 1.688 . . . . 0.0 112.735 179.429 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.3 p -87.25 -31.06 5.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 O-C-N 121.24 -0.912 . . . . 0.0 112.94 170.896 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.423 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 2.5 t70 168.12 -157.68 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.074 1 C-N-CA 132.488 4.315 . . . . 0.0 107.102 173.71 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.63 -22.66 2.13 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 120.593 1.542 . . . . 0.0 114.415 171.755 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.95 -8.43 22.54 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.181 0.992 . . . . 0.0 113.612 173.347 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.4 m -134.71 -36.17 0.86 Allowed 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 125.692 1.597 . . . . 0.0 112.436 173.411 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.452 ' HA ' HG12 ' A' ' 29' ' ' VAL . . . -64.67 -35.14 80.08 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.301 1.041 . . . . 0.0 110.692 176.993 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -78.14 5.49 10.02 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 176.608 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.68 20.23 3.31 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 120.335 -1.478 . . . . 0.0 111.755 174.795 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.63 HG11 HG21 ' A' ' 18' ' ' THR . 4.0 p -123.98 -42.23 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 C-N-CA 124.37 1.068 . . . . 0.0 111.905 177.126 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.643 ' HB3' HD22 ' A' ' 5' ' ' LEU . 24.6 m-85 -68.64 -25.15 64.69 Favored 'General case' 0 C--O 1.226 -0.166 0 C-N-CA 123.565 0.746 . . . . 0.0 112.875 173.421 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.403 ' HD3' ' CZ2' ' A' ' 43' ' ' TRP . 34.1 mmtp -54.82 -30.58 57.69 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.264 1.426 . . . . 0.0 112.997 175.132 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -81.7 -50.64 9.06 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.94 0.896 . . . . 0.0 110.67 179.408 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -60.1 -41.88 93.48 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.273 1.029 . . . . 0.0 112.101 177.327 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.21 -53.06 62.59 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.7 0.8 . . . . 0.0 111.015 178.861 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 -65.79 -23.25 66.66 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.012 0.925 . . . . 0.0 113.195 178.4 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -80.05 -29.99 39.32 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 118.9 0.773 . . . . 0.0 112.955 176.09 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 54.7 m-80 -76.59 -44.62 33.67 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 168.026 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 126.04 14.59 3.01 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 128.258 2.837 . . . . 0.0 115.5 171.864 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.447 HG21 ' HB3' ' A' ' 7' ' ' LEU . 93.7 t -87.95 151.34 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 125.595 1.558 . . . . 0.0 111.479 170.159 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -166.48 46.43 0.07 Allowed 'General case' 0 CA--C 1.548 0.897 0 CA-C-O 122.272 1.034 . . . . 0.0 111.121 168.109 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -72.14 -157.57 3.38 Favored Glycine 0 CA--C 1.54 1.644 0 C-N-CA 125.371 1.462 . . . . 0.0 115.835 -176.327 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.427 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 3.5 pt-20 -62.0 125.09 22.66 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 121.137 -1.214 . . . . 0.0 108.865 170.844 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.403 ' CZ2' ' HD3' ' A' ' 31' ' ' LYS . 89.0 m95 -91.55 133.0 35.9 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.473 1.033 . . . . 0.0 110.374 178.186 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -139.12 160.91 38.68 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 127.462 2.305 . . . . 0.0 109.532 -173.325 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -155.01 166.31 33.98 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.216 1.406 . . . . 0.0 110.69 -173.577 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -140.54 139.02 34.95 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.977 1.311 . . . . 0.0 110.445 175.451 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.496 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 31.6 t70 -93.54 -8.55 41.03 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 114.906 1.447 . . . . 0.0 114.906 -175.459 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -102.68 -28.72 11.95 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.172 1.389 . . . . 0.0 112.001 -178.548 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.6 t -117.03 -0.24 12.21 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.103 0.961 . . . . 0.0 113.129 175.65 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.496 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 3.6 mmpt? 51.08 42.47 28.64 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.565 1.546 . . . . 0.0 113.01 169.564 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 51.6 m -123.14 112.03 17.23 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 125.553 1.541 . . . . 0.0 109.259 -171.475 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -67.1 158.71 30.45 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 124.177 0.991 . . . . 0.0 110.487 169.492 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 22.9 m -149.52 130.24 14.12 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 171.742 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.427 ' HA ' ' O ' ' A' ' 42' ' ' GLU . 13.1 p -122.12 110.93 28.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 124.57 1.148 . . . . 0.0 109.984 177.402 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 99.1 m -111.75 118.9 36.87 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.76 0.824 . . . . 0.0 109.7 -169.94 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -69.45 70.16 0.27 Allowed 'General case' 0 N--CA 1.481 1.085 0 CA-C-O 123.217 1.484 . . . . 0.0 113.129 174.932 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -161.74 -150.67 6.02 Favored Glycine 0 CA--C 1.534 1.274 0 C-N-CA 129.769 3.556 . . . . 0.0 108.171 174.482 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.5 m -142.09 145.04 33.86 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.856 0.863 . . . . 0.0 110.264 175.691 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 36.4 m80 16.14 64.33 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 127.651 2.38 . . . . 0.0 115.101 -170.432 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 11.6 p-80 -62.12 21.22 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 116.702 2.112 . . . . 0.0 116.702 -174.983 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 11.0 p-80 -139.93 1.02 1.83 Allowed 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 130.54 3.536 . . . . 0.0 112.251 -177.992 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -151.99 -45.53 0.11 Allowed 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.578 1.551 . . . . 0.0 113.357 -178.066 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -64.06 135.15 56.16 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.142 1.377 . . . . 0.0 112.301 179.508 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 76.9 m80 -142.49 139.19 31.42 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.848 1.659 . . . . 0.0 109.98 176.423 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 57.7 ttm -65.67 129.25 39.1 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.697 0.799 . . . . 0.0 111.103 176.019 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 54.9 p-80 -151.74 -19.13 0.19 Allowed 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 115.723 1.749 . . . . 0.0 115.723 -179.686 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.06 4.35 0.73 Allowed 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 125.099 1.36 . . . . 0.0 114.104 175.541 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -79.02 -8.9 59.33 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 128.489 2.716 . . . . 0.0 114.931 -168.077 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 35.9 p -70.66 -28.83 65.09 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.634 1.174 . . . . 0.0 112.86 169.577 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 16.6 m -149.27 66.26 8.4 Favored Pre-proline 0 CA--C 1.552 1.037 0 C-N-CA 126.684 1.994 . . . . 0.0 111.0 -179.803 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -66.14 116.04 3.8 Favored 'Trans proline' 0 CA--C 1.54 0.787 0 C-N-CA 123.073 2.515 . . . . 0.0 110.647 178.611 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 41.7 tp -75.5 72.21 2.48 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.593 1.557 . . . . 0.0 112.644 -173.441 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 56.04 7.91 0.34 Allowed 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 127.493 2.317 . . . . 0.0 117.066 174.056 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 4.5 t -73.98 4.31 5.59 Favored 'General case' 0 CA--C 1.55 0.968 0 O-C-N 120.24 -1.538 . . . . 0.0 113.951 176.281 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 23.4 tttp -60.56 143.42 53.81 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 168.714 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 39.2 t -116.28 137.83 48.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 CA-C-O 121.946 0.879 . . . . 0.0 112.603 -167.482 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -95.88 150.43 20.44 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 127.447 2.299 . . . . 0.0 110.344 169.695 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.463 HG13 ' HB3' ' A' ' 113' ' ' ALA . 0.2 OUTLIER -147.96 140.35 18.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.346 0.593 . . . . 0.0 110.857 169.474 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -168.89 -159.74 15.27 Favored Glycine 0 N--CA 1.473 1.119 0 N-CA-C 116.655 1.422 . . . . 0.0 116.655 -179.172 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.1 t30 76.24 -19.85 0.39 Allowed 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 128.548 2.739 . . . . 0.0 115.584 173.55 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.402 ' HA ' ' HB3' ' A' ' 138' ' ' CYS . 7.0 tp -41.1 -44.47 2.49 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 127.379 2.272 . . . . 0.0 111.899 169.037 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 66.31 -3.33 3.46 Favored Glycine 0 CA--C 1.542 1.725 0 N-CA-C 117.944 1.938 . . . . 0.0 117.944 169.682 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -133.74 0.8 3.28 Favored 'General case' 0 CA--C 1.551 1.007 0 CA-C-N 119.547 1.673 . . . . 0.0 114.207 -170.499 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -158.53 149.59 20.58 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.634 1.173 . . . . 0.0 111.181 174.297 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -141.29 65.05 0.51 Allowed Glycine 0 N--CA 1.466 0.649 0 C-N-CA 126.229 1.871 . . . . 0.0 110.147 176.589 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 27.6 t30 -136.77 146.66 46.02 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.724 2.009 . . . . 0.0 108.112 170.382 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.94 -12.93 58.14 Favored 'General case' 0 C--O 1.222 -0.38 0 N-CA-C 116.436 2.013 . . . . 0.0 116.436 -169.294 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 60.0 m -51.32 -56.29 13.87 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 115.725 1.75 . . . . 0.0 115.725 -168.962 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -74.44 -44.36 52.12 Favored 'General case' 0 C--N 1.344 0.327 0 CA-C-N 119.832 1.196 . . . . 0.0 110.924 -178.628 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . 0.255 3.5 pp -59.87 -36.19 76.39 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 119.72 1.145 . . . . 0.0 112.073 179.206 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -60.0 -49.84 76.07 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 124.308 1.043 . . . . 0.0 112.589 172.746 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.2 ppt_? -63.83 -35.69 81.44 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 119.732 1.151 . . . . 0.0 112.216 173.506 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.93 -41.15 71.56 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 123.616 0.767 . . . . 0.0 111.997 -175.056 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.686 ' CD1' HD23 ' A' ' 130' ' ' LEU . 15.7 m-85 -67.86 -61.61 1.79 Allowed 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 123.812 0.845 . . . . 0.0 110.141 172.194 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.39 -18.11 42.14 Favored Glycine 0 CA--C 1.546 2.006 0 N-CA-C 115.695 1.038 . . . . 0.0 115.695 -176.934 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -55.2 -48.12 74.31 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 126.028 1.731 . . . . 0.0 112.165 167.882 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.421 ' HE2' HD22 ' A' ' 130' ' ' LEU . 93.3 m-85 -67.18 -43.38 82.31 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.71 0.804 . . . . 0.0 110.453 174.02 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 177.29 164.36 30.79 Favored Glycine 0 N--CA 1.476 1.331 0 CA-C-O 119.028 -0.873 . . . . 0.0 114.571 169.495 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -57.66 129.39 33.4 Favored 'Trans proline' 0 N--CA 1.46 -0.492 0 C-N-CA 122.667 2.245 . . . . 0.0 115.121 -168.312 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.655 HD11 ' HB2' ' A' ' 94' ' ' PHE . 19.2 mt -73.58 157.69 36.21 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 113.006 -1.906 . . . . 0.0 111.728 170.08 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -118.18 -30.62 5.24 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.015 1.326 . . . . 0.0 111.537 172.406 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 7.5 m -141.17 142.37 34.03 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.438 1.095 . . . . 0.0 110.693 171.557 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.57 ' CG2' HD13 ' A' ' 100' ' ' LEU . 15.4 t -140.94 124.5 16.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 124.86 1.264 . . . . 0.0 108.374 176.618 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 83.7 t90 -141.67 148.47 39.19 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 125.087 1.355 . . . . 0.0 111.419 -171.071 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 4.8 m -140.41 149.83 21.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 124.672 1.189 . . . . 0.0 109.145 171.024 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -77.6 150.07 34.72 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 -169.757 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 4.5 ppt_? -79.89 11.32 3.37 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 116.14 1.904 . . . . 0.0 116.14 -178.228 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -138.39 -62.44 0.02 OUTLIER Pre-proline 0 CA--C 1.546 0.793 0 CA-C-O 116.596 -1.669 . . . . 0.0 114.514 174.919 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -76.43 112.5 3.48 Favored 'Trans proline' 0 CA--C 1.545 1.055 0 C-N-CA 122.439 2.093 . . . . 0.0 111.579 -177.271 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -84.73 58.2 5.25 Favored 'Trans proline' 0 CA--C 1.542 0.922 0 C-N-CA 123.377 2.718 . . . . 0.0 111.233 -173.426 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -176.85 24.27 0.05 OUTLIER Glycine 0 N--CA 1.469 0.887 0 O-C-N 121.262 -0.899 . . . . 0.0 113.81 -177.394 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -152.31 138.96 18.75 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 126.375 1.87 . . . . 0.0 108.258 -169.399 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.463 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -161.11 171.67 18.13 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.875 1.27 . . . . 0.0 113.23 -168.187 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -145.28 149.0 34.07 Favored 'General case' 0 N--CA 1.48 1.029 0 O-C-N 121.946 -0.471 . . . . 0.0 111.634 171.852 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.5 HG11 ' CE2' ' A' ' 94' ' ' PHE . 14.6 m -138.65 170.3 16.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 CA-C-O 122.281 1.038 . . . . 0.0 112.555 178.057 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -149.37 117.59 6.41 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 124.856 1.262 . . . . 0.0 108.781 176.57 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.405 ' HA ' ' HA ' ' A' ' 100' ' ' LEU . 58.6 m-85 -80.66 156.17 26.46 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 121.711 0.767 . . . . 0.0 112.142 177.301 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -70.48 -18.31 62.97 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.45 0.7 . . . . 0.0 112.517 177.248 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -139.3 136.68 18.16 Favored Pre-proline 0 CA--C 1.553 1.06 0 C-N-CA 127.894 2.477 . . . . 0.0 110.339 178.782 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -71.81 -20.9 25.55 Favored 'Trans proline' 0 CA--C 1.537 0.641 0 C-N-CA 123.001 2.467 . . . . 0.0 114.448 -174.087 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.43 -29.6 53.01 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 120.917 -1.114 . . . . 0.0 111.218 174.282 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -62.53 -45.18 94.17 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 119.271 0.942 . . . . 0.0 109.908 168.904 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.66 -41.52 95.16 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 118.695 -0.669 . . . . 0.0 112.728 173.214 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.78 -43.25 84.46 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 119.813 1.188 . . . . 0.0 113.29 178.075 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -58.13 -41.43 83.64 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 121.359 -0.838 . . . . 0.0 110.922 173.094 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.82 -46.23 79.35 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.667 -0.645 . . . . 0.0 111.422 173.385 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.94 -15.66 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 O-C-N 120.526 -1.359 . . . . 0.0 114.191 -177.079 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -121.4 -5.15 9.35 Favored 'General case' 0 N--CA 1.485 1.302 0 N-CA-C 118.121 2.637 . . . . 0.0 118.121 170.594 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -114.54 -20.52 10.71 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-N 120.746 1.612 . . . . 0.0 114.484 170.718 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.686 HD23 ' CD1' ' A' ' 94' ' ' PHE . 7.5 tp -98.67 -21.21 16.55 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.629 1.572 . . . . 0.0 112.335 179.572 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -68.17 144.27 55.04 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.441 1.497 . . . . 0.0 112.498 169.94 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 72.91 -40.26 0.82 Allowed Glycine 0 CA--C 1.537 1.442 0 C-N-CA 126.538 2.018 . . . . 0.0 117.672 170.382 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -51.58 -51.19 57.47 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 125.77 1.628 . . . . 0.0 115.23 -168.753 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 6.9 m 140.91 143.67 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.281 1 C-N-CA 132.36 4.264 . . . . 0.0 107.35 -174.306 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 43.0 tp -161.8 133.62 5.56 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 -179.417 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 49.4 t 61.39 -48.47 0.13 Allowed 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.932 2.093 . . . . 0.0 112.131 -168.163 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 173.2 20.03 0.02 OUTLIER Glycine 0 C--N 1.345 1.047 0 N-CA-C 118.69 2.236 . . . . 0.0 118.69 168.426 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 138' ' ' CYS . . . . . 0.402 ' HB3' ' HA ' ' A' ' 81' ' ' LEU . 46.0 t -154.78 175.98 13.04 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 118.703 1.251 . . . . 0.0 108.499 -172.623 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -65.17 130.17 42.38 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 178.001 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 11.2 p -116.68 144.69 23.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 C-N-CA 125.069 1.347 . . . . 0.0 110.045 -169.639 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 17.4 mtp85 -109.75 136.99 48.2 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 106.548 -1.649 . . . . 0.0 106.548 168.964 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 71.2 t -143.63 118.49 4.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 170.842 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -142.86 158.97 43.1 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 119.799 1.181 . . . . 0.0 111.95 -172.381 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 41.3 mt -80.73 153.08 28.03 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 120.656 -1.278 . . . . 0.0 109.588 169.556 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 32.3 t -23.94 118.51 0.05 OUTLIER 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 126.934 2.093 . . . . 0.0 115.27 172.823 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -58.68 86.06 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 126.577 1.951 . . . . 0.0 114.036 -175.867 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -156.37 -166.68 16.55 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 126.192 1.854 . . . . 0.0 112.696 -178.97 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -140.86 150.95 43.9 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.193 1.397 . . . . 0.0 111.704 -177.786 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 5.3 ttpp -153.38 153.03 31.76 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.03 0.932 . . . . 0.0 111.709 167.493 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 24.0 mmt85 . . . . . 0 C--O 1.249 1.044 0 C-N-CA 127.269 2.228 . . . . 0.0 109.135 170.878 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 151' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.556 3.508 1 C3'-C2'-C1' 105.868 4.854 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 152' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.074 2 C4'-C3'-C2' 97.521 -5.179 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.56 2 C3'-C2'-C1' 106.844 5.938 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.98 2 O4'-C1'-N19 113.803 5.603 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 mpp? . . . . . 0 N--CA 1.482 1.175 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -87.34 142.49 27.84 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 120.971 -1.08 . . . . 0.0 111.66 176.279 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.436 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 91.6 m-85 -127.14 154.78 44.33 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 127.595 2.358 . . . . 0.0 108.909 -178.446 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -110.3 162.73 14.34 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.646 1.178 . . . . 0.0 111.76 -177.659 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.59 HD21 HD21 ' A' ' 7' ' ' LEU . 13.5 tp -145.33 139.41 27.02 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 126.805 2.042 . . . . 0.0 110.915 174.337 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mp -118.49 109.01 25.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 126.496 1.918 . . . . 0.0 109.152 173.975 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.59 HD21 HD21 ' A' ' 5' ' ' LEU . 55.4 mt -81.32 72.05 8.34 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.48 1.912 . . . . 0.0 111.017 170.58 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 -64.32 66.3 0.02 OUTLIER 'General case' 0 CA--C 1.56 1.358 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 173.215 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.7 153.02 16.94 Favored Glycine 0 CA--C 1.534 1.274 0 O-C-N 120.407 -1.433 . . . . 0.0 115.824 -177.926 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -12.99 -78.52 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 130.288 3.435 . . . . 0.0 117.779 -169.394 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.7 p -125.74 -3.61 7.15 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.634 1.573 . . . . 0.0 112.191 -178.678 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.506 ' H ' HD23 ' A' ' 12' ' ' LEU . 1.9 pt? -108.81 -2.42 18.51 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 126.965 2.106 . . . . 0.0 114.444 -168.792 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -36.26 146.49 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 126.616 1.966 . . . . 0.0 116.112 -169.423 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -165.98 -165.01 22.62 Favored Glycine 0 C--O 1.226 -0.383 0 N-CA-C 117.211 1.644 . . . . 0.0 117.211 171.318 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -152.73 157.08 40.34 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.741 1.216 . . . . 0.0 112.371 -179.4 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.0 t -156.83 -176.03 5.75 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 126.333 1.853 . . . . 0.0 109.805 -177.213 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 56.6 p -143.72 171.37 14.29 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.793 1.637 . . . . 0.0 110.856 176.599 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.2 t -155.59 154.66 32.03 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.104 0.961 . . . . 0.0 111.028 171.348 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -82.91 116.56 22.26 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 168.843 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -138.43 177.8 7.62 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.687 1.595 . . . . 0.0 112.599 -178.569 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.5 p -83.28 -39.43 15.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 O-C-N 120.977 -1.077 . . . . 0.0 111.683 169.408 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.436 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 3.9 t70 173.01 -160.39 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 131.486 3.914 . . . . 0.0 106.815 -179.326 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.56 -20.56 1.99 Allowed 'General case' 0 CA--C 1.545 0.786 0 O-C-N 120.113 -1.617 . . . . 0.0 114.422 170.64 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.93 -5.68 18.18 Favored 'General case' 0 CA--C 1.546 0.825 0 O-C-N 120.848 -1.158 . . . . 0.0 113.523 173.031 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.1 m -137.22 -37.27 0.64 Allowed 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.988 1.715 . . . . 0.0 112.348 173.681 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.96 -38.17 85.61 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.92 1.288 . . . . 0.0 111.173 177.184 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -75.62 4.83 6.94 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 178.637 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.84 18.56 4.64 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 125.182 1.393 . . . . 0.0 111.482 172.227 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.2 t -119.07 -52.96 3.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 125.292 1.437 . . . . 0.0 110.099 178.057 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.546 ' HB3' HD22 ' A' ' 5' ' ' LEU . 23.3 m-85 -61.98 -26.6 68.31 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 176.947 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -54.46 -29.74 50.72 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.732 1.213 . . . . 0.0 113.178 175.088 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -81.32 -55.75 4.51 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.386 0.674 . . . . 0.0 109.613 177.325 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -58.99 -42.25 89.59 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.213 1.005 . . . . 0.0 112.458 -177.173 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.05 -51.77 67.93 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.01 0.924 . . . . 0.0 111.807 176.826 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 62.8 m-80 -72.11 -16.66 62.01 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 177.322 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -77.54 -31.57 53.37 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 119.494 1.043 . . . . 0.0 112.108 171.556 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -78.13 -40.55 37.76 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 168.331 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 118.8 6.74 11.08 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 128.868 3.128 . . . . 0.0 114.742 171.111 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.9 t -79.19 144.85 10.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 124.216 1.006 . . . . 0.0 110.943 173.369 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -164.86 63.81 0.13 Allowed 'General case' 0 CA--C 1.55 0.969 0 CA-C-O 122.577 1.179 . . . . 0.0 112.377 168.89 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.423 ' H ' HG22 ' A' ' 54' ' ' VAL . . . -91.99 -137.74 7.87 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 125.613 1.578 . . . . 0.0 115.805 176.019 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -68.54 86.96 0.31 Allowed 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.259 1.424 . . . . 0.0 112.984 -174.662 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 73.9 m95 -62.79 109.16 1.34 Allowed 'General case' 0 N--CA 1.467 0.413 0 O-C-N 120.384 -1.447 . . . . 0.0 109.785 179.445 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 75.3 m -134.07 162.03 33.22 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 126.86 2.064 . . . . 0.0 109.103 -169.383 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -154.9 165.13 37.66 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.638 1.575 . . . . 0.0 110.613 -173.575 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -142.54 156.0 45.07 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 126.338 1.855 . . . . 0.0 110.345 -174.298 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.434 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -126.24 1.93 7.1 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 114.884 1.438 . . . . 0.0 114.884 -177.379 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -89.36 -30.06 18.66 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.428 1.091 . . . . 0.0 110.309 169.332 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.04 -7.75 3.89 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 -175.586 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.434 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 1.2 mmpt? 60.68 46.71 8.89 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.328 1.851 . . . . 0.0 112.679 179.037 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 63.6 m -120.46 112.87 19.51 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.184 0.994 . . . . 0.0 111.695 -171.843 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -66.4 159.15 27.57 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.917 0.887 . . . . 0.0 111.524 169.27 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 52.8 m -146.72 153.67 40.52 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.532 1.533 . . . . 0.0 108.353 169.794 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.423 HG22 ' H ' ' A' ' 41' ' ' GLY 0.263 8.1 p -148.0 64.35 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 CA-C-O 123.204 1.478 . . . . 0.0 111.709 -177.228 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.3 m -66.04 95.85 0.29 Allowed 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.54 1.536 . . . . 0.0 112.928 -177.027 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -77.03 -31.41 56.27 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.874 1.269 . . . . 0.0 111.044 169.471 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 138.21 51.42 0.06 OUTLIER Glycine 0 CA--C 1.527 0.811 0 C-N-CA 124.218 0.914 . . . . 0.0 113.174 175.332 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.0 t -51.19 136.36 24.35 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 118.228 1.014 . . . . 0.0 112.064 172.527 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -59.39 -18.6 40.25 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.186 0.994 . . . . 0.0 113.542 170.694 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 52.6 t60 -109.09 105.56 15.1 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.025 1.73 . . . . 0.0 108.376 168.596 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -120.89 17.49 11.79 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.936 1.294 . . . . 0.0 113.326 -174.647 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 70.56 -31.13 0.21 Allowed 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 128.903 2.881 . . . . 0.0 116.069 169.878 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.493 ' CD2' HH22 ' A' ' 67' ' ' ARG . 0.0 OUTLIER -57.52 -28.48 63.51 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.424 1.489 . . . . 0.0 114.098 -175.388 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 27.8 p80 -65.92 -15.88 63.36 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 114.913 1.449 . . . . 0.0 114.913 176.984 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 15.1 mmt -69.02 -14.15 62.87 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 -178.617 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -149.98 167.4 26.81 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.37 1.468 . . . . 0.0 110.731 -179.265 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.493 HH22 ' CD2' ' A' ' 63' ' ' HIS . 6.6 mmp_? -134.15 -54.83 0.86 Allowed 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 125.299 1.44 . . . . 0.0 111.236 179.228 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 45.85 -36.92 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.222 1 C-N-CA 134.053 4.941 . . . . 0.0 120.055 170.99 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 96.9 p -73.85 -13.91 61.0 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 127.185 2.194 . . . . 0.0 115.006 178.979 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 80.5 m -64.62 -38.99 36.15 Favored Pre-proline 0 CA--C 1.554 1.102 0 N-CA-C 117.56 2.43 . . . . 0.0 117.56 -170.293 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -75.84 123.57 7.5 Favored 'Trans proline' 0 C--N 1.353 0.815 0 CA-C-N 122.601 1.964 . . . . 0.0 111.112 -174.718 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 11.0 mp -67.71 160.92 27.08 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-O 121.813 0.816 . . . . 0.0 111.833 173.547 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -150.96 -53.16 0.14 Allowed 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.885 1.274 . . . . 0.0 110.901 176.17 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 34.2 m 52.19 25.71 3.48 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 125.958 1.703 . . . . 0.0 115.205 171.605 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 116' ' ' GLU . 63.3 mttp -68.2 145.47 54.28 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 120.9 -1.125 . . . . 0.0 111.925 173.781 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 73.0 t -133.64 149.64 31.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 125.853 1.661 . . . . 0.0 110.072 -174.637 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -112.85 140.83 47.31 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 127.106 2.162 . . . . 0.0 109.255 177.231 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.487 HG13 ' HB3' ' A' ' 113' ' ' ALA . 6.1 p -144.23 142.28 24.1 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 C-N-CA 123.342 0.657 . . . . 0.0 112.442 177.46 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -153.27 -174.94 24.12 Favored Glycine 0 CA--C 1.533 1.172 0 N-CA-C 116.519 1.368 . . . . 0.0 116.519 177.837 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . 0.264 9.6 m120 51.68 -13.13 0.0 OUTLIER 'General case' 0 CA--C 1.557 1.213 1 C-N-CA 131.857 4.063 . . . . 0.0 118.901 -175.428 . . . . . . . . 3 2 . 1 . 023 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 55.0 tp -62.01 162.46 9.22 Favored 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 127.589 2.355 . . . . 0.0 110.369 169.564 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -154.06 143.87 10.58 Favored Glycine 0 CA--C 1.532 1.104 0 C-N-CA 125.944 1.735 . . . . 0.0 111.521 172.224 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -157.56 -56.67 0.08 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.583 1.153 . . . . 0.0 111.876 179.6 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 51.4 p30 -156.5 -27.89 0.1 Allowed 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.42 1.888 . . . . 0.0 113.463 174.44 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 77.69 42.93 16.09 Favored Glycine 0 CA--C 1.531 1.033 0 C-N-CA 124.247 0.927 . . . . 0.0 113.97 -175.488 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -111.79 -52.61 2.77 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 117.557 -1.211 . . . . 0.0 112.229 170.016 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.4 ptmm? 143.76 -23.78 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 131.018 3.727 . . . . 0.0 115.268 -178.456 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 52.0 m -49.59 -52.92 26.86 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 115.673 1.731 . . . . 0.0 115.673 -168.125 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -66.05 -55.4 16.81 Favored 'General case' 0 C--N 1.339 0.12 0 CA-C-N 119.035 0.834 . . . . 0.0 110.934 -179.564 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.9 pp -61.89 -35.03 77.15 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -177.247 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -58.63 -43.28 89.66 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.505 1.122 . . . . 0.0 112.188 172.859 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.44 -41.88 72.29 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 118.803 0.728 . . . . 0.0 111.913 172.318 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.06 -44.33 82.93 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.226 1.01 . . . . 0.0 112.442 177.955 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.538 ' CD2' HG21 ' A' ' 115' ' ' VAL . 18.6 m-85 -70.75 -60.99 1.94 Allowed 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 125.953 1.701 . . . . 0.0 111.942 175.853 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -65.64 -12.48 56.61 Favored Glycine 0 CA--C 1.542 1.767 0 C-N-CA 120.213 -0.994 . . . . 0.0 115.085 -173.965 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -58.42 -49.19 78.17 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.208 1.803 . . . . 0.0 112.365 168.196 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -62.9 -42.08 99.66 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 118.448 0.567 . . . . 0.0 109.693 172.82 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 178.39 157.98 20.15 Favored Glycine 0 N--CA 1.475 1.242 0 CA-C-O 118.869 -0.962 . . . . 0.0 114.731 168.772 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -58.35 142.34 97.57 Favored 'Trans proline' 0 CA--C 1.536 0.618 0 C-N-CA 122.421 2.08 . . . . 0.0 113.733 -169.1 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.459 HD22 HG22 ' A' ' 103' ' ' VAL . 0.2 OUTLIER -127.17 150.75 49.37 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.092 1.357 . . . . 0.0 112.468 179.261 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 18.6 ttm180 -93.95 -38.47 11.17 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.666 1.586 . . . . 0.0 112.97 -169.662 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.0 m -136.55 140.58 43.03 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.933 0.893 . . . . 0.0 109.833 -175.897 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.459 HG22 HD22 ' A' ' 100' ' ' LEU . 19.0 t -145.52 129.69 11.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 124.702 1.201 . . . . 0.0 107.957 -178.925 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 83.0 t90 -142.84 150.19 39.57 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 124.331 1.052 . . . . 0.0 111.208 -169.947 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.464 HG12 ' HB1' ' A' ' 113' ' ' ALA . 14.0 m -140.39 151.82 21.24 Favored 'Isoleucine or valine' 0 C--O 1.238 0.47 0 C-N-CA 124.031 0.932 . . . . 0.0 109.181 169.65 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -68.17 170.03 9.29 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.846 0.858 . . . . 0.0 113.173 178.966 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.99 45.9 0.96 Allowed 'General case' 0 N--CA 1.484 1.236 0 CA-C-O 122.752 1.263 . . . . 0.0 113.098 -173.132 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -160.47 174.72 3.66 Favored Pre-proline 0 CA--C 1.553 1.07 0 C-N-CA 130.892 3.677 . . . . 0.0 108.009 -173.392 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -50.49 154.28 6.49 Favored 'Trans proline' 0 CA--C 1.548 1.193 0 C-N-CA 122.398 2.065 . . . . 0.0 111.805 169.082 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -78.32 34.66 0.5 Allowed 'Trans proline' 0 CA--C 1.543 0.927 0 C-N-CA 124.716 3.611 . . . . 0.0 113.141 -169.848 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -68.13 -5.15 39.62 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 124.687 1.137 . . . . 0.0 111.977 169.718 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -158.55 122.69 4.04 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 127.503 2.321 . . . . 0.0 108.678 171.873 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.487 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -164.57 170.71 15.44 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 126.364 1.866 . . . . 0.0 112.477 -168.555 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.408 ' CE2' ' C4 ' ' B' ' 152' ' ' ' A' . 77.7 m-85 -144.0 163.34 33.78 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 -174.849 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.538 HG21 ' CD2' ' A' ' 94' ' ' PHE . 1.4 t -146.21 163.21 10.02 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 126.006 1.722 . . . . 0.0 111.853 -175.37 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.418 ' HA ' ' HA ' ' A' ' 75' ' ' LYS . 62.0 tt0 -142.07 99.27 3.49 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.799 2.04 . . . . 0.0 111.153 169.556 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -68.97 173.83 5.06 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.034 0.934 . . . . 0.0 112.836 170.497 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -119.08 0.63 11.31 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.251 1.02 . . . . 0.0 113.421 -179.429 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -148.34 125.48 5.58 Favored Pre-proline 0 CA--C 1.547 0.845 0 O-C-N 120.607 -1.308 . . . . 0.0 110.376 177.855 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -69.15 -24.31 32.62 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 123.131 2.554 . . . . 0.0 113.779 -173.716 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 22.8 ttp-105 -61.17 -51.42 69.12 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 119.765 1.166 . . . . 0.0 110.338 170.309 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -75.05 -35.87 61.85 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.318 -174.899 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.85 -37.55 87.79 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 122.964 0.506 . . . . 0.0 112.311 171.173 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -68.37 -45.7 72.07 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 119.297 0.953 . . . . 0.0 111.938 174.917 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.81 -42.97 80.48 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.232 0.613 . . . . 0.0 111.394 172.415 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.99 -57.91 9.88 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.112 0.565 . . . . 0.0 110.463 174.766 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 24.3 t -52.9 -35.11 21.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 125.428 1.491 . . . . 0.0 113.785 178.965 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.65 -1.92 36.8 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 114.676 1.361 . . . . 0.0 114.676 -174.684 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -116.46 -22.95 8.5 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.169 0.987 . . . . 0.0 113.034 169.543 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.408 HD13 ' CE1' ' A' ' 94' ' ' PHE . 86.3 mt -91.17 6.71 43.96 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 126.544 1.937 . . . . 0.0 111.787 169.142 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 22.0 p30 -42.59 -27.56 0.17 Allowed 'General case' 0 CA--C 1.553 1.066 0 N-CA-C 119.519 3.155 . . . . 0.0 119.519 -169.688 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 164.55 -27.1 0.2 Allowed Glycine 0 CA--C 1.533 1.183 0 C-N-CA 124.809 1.195 . . . . 0.0 115.933 -169.825 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 19.2 mtt180 -40.72 -70.11 0.11 Allowed 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 126.918 2.087 . . . . 0.0 115.127 -169.596 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 2.0 m 174.3 154.75 0.12 Allowed 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 131.334 3.854 . . . . 0.0 106.587 -177.768 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -138.2 -63.19 0.56 Allowed 'General case' 0 N--CA 1.478 0.954 0 CA-C-N 118.54 0.609 . . . . 0.0 111.025 172.194 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 2.7 t -82.67 -51.22 7.93 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 118.781 0.719 . . . . 0.0 109.852 169.254 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 170.31 33.32 0.02 OUTLIER Glycine 0 N--CA 1.476 1.337 0 CA-C-O 121.728 0.627 . . . . 0.0 113.87 177.434 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -161.9 157.76 24.36 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 128.8 2.84 . . . . 0.0 106.649 -168.235 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -69.29 130.59 43.03 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.202 0.601 . . . . 0.0 109.745 -169.356 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 7.5 p -109.21 56.77 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 126.424 1.89 . . . . 0.0 109.013 -169.979 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.95 113.08 2.12 Favored 'General case' 0 N--CA 1.479 0.983 0 O-C-N 120.786 -1.196 . . . . 0.0 109.504 -171.137 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 6.4 t -120.99 143.82 31.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 123.094 0.558 . . . . 0.0 111.106 -172.645 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -140.58 172.32 12.87 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.417 1.087 . . . . 0.0 110.916 171.008 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 6.2 tt -82.28 128.34 34.1 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 168.413 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.1 137.72 53.69 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -169.609 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 63.35 -44.22 0.23 Allowed 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 129.712 3.205 . . . . 0.0 116.581 170.394 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 165.11 179.69 39.17 Favored Glycine 0 CA--C 1.537 1.426 0 C-N-CA 126.385 1.945 . . . . 0.0 112.509 -174.795 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -132.91 159.76 38.98 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.657 1.183 . . . . 0.0 111.587 -178.24 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . 0.321 0.0 OUTLIER -87.48 55.83 3.69 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-O 123.096 1.427 . . . . 0.0 113.175 -171.346 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.174 0 C-N-CA 127.917 2.487 . . . . 0.0 112.001 179.759 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 151' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.128 1 C3'-C2'-C1' 105.435 4.372 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 152' ' ' ' A' . . . . . 0.408 ' C4 ' ' CE2' ' A' ' 114' ' ' PHE . . . . . . . . 0 C5'--C4' 1.537 2.05 4 O4'-C1'-N19 114.485 6.285 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.924 2 O5'-C5'-C4' 116.498 4.498 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.781 3 P-O3'-C3' 126.972 6.06 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.9 mmm . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 119.266 -0.397 . . . . 0.0 111.425 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 60.19 132.17 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 129.086 2.954 . . . . 0.0 114.965 -169.66 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.408 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 92.8 m-85 -127.98 154.35 45.69 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 126.739 2.016 . . . . 0.0 109.107 -176.58 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -112.06 161.5 16.41 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.402 1.081 . . . . 0.0 111.776 -174.998 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.414 ' CD1' ' HG ' ' A' ' 7' ' ' LEU . 2.2 tm? -144.26 133.51 23.05 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 126.328 1.851 . . . . 0.0 110.579 176.34 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mp -114.66 112.82 41.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 125.918 1.687 . . . . 0.0 110.02 172.513 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.424 HD11 ' CE2' ' A' ' 33' ' ' TYR . 42.7 mt -83.09 43.44 0.87 Allowed 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 127.518 2.327 . . . . 0.0 111.912 173.57 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -58.27 124.95 21.2 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 119.612 -1.93 . . . . 0.0 112.305 -175.91 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -146.58 -163.73 10.59 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 116.902 1.521 . . . . 0.0 116.902 172.068 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.37 -30.34 6.61 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.716 1.606 . . . . 0.0 112.763 172.649 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 93.5 m -71.37 -34.49 70.48 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.411 1.084 . . . . 0.0 110.626 171.88 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.463 HD21 HG23 ' A' ' 39' ' ' VAL . 0.7 OUTLIER -163.09 -174.69 3.96 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 128.521 2.728 . . . . 0.0 109.267 170.347 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.49 151.52 20.74 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 125.39 1.476 . . . . 0.0 110.363 166.209 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -172.6 -170.13 36.02 Favored Glycine 0 CA--C 1.529 0.949 0 N-CA-C 115.526 0.97 . . . . 0.0 115.526 168.621 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -155.32 157.96 37.99 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.637 1.175 . . . . 0.0 112.959 -179.615 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.9 t -156.25 -175.9 5.68 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 126.117 1.767 . . . . 0.0 110.404 179.194 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.6 p -141.66 175.05 10.0 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 125.211 1.405 . . . . 0.0 110.874 173.729 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.0 t -157.85 151.35 23.61 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 124.031 0.933 . . . . 0.0 110.772 171.906 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -77.03 125.9 30.08 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 106.546 -1.65 . . . . 0.0 106.546 166.392 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.428 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -143.67 174.52 10.72 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.364 1.466 . . . . 0.0 111.556 178.489 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.1 t -77.1 -47.14 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 O-C-N 121.666 -0.646 . . . . 0.0 109.994 169.158 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.408 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 4.4 t70 179.0 -157.12 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 130.429 3.492 . . . . 0.0 106.281 179.269 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.23 -20.81 2.87 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 120.049 -1.657 . . . . 0.0 113.963 169.661 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.61 -7.41 10.38 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.578 1.151 . . . . 0.0 113.826 172.156 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.428 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 45.3 m -138.68 -37.0 0.55 Allowed 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.538 1.535 . . . . 0.0 112.17 176.178 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.72 -38.12 86.05 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.939 1.296 . . . . 0.0 111.215 177.445 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -74.34 2.91 8.25 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 179.603 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.415 ' HE3' HG23 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -130.57 19.07 5.21 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 125.169 1.388 . . . . 0.0 111.57 173.454 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.415 HG23 ' HE3' ' A' ' 28' ' ' LYS . 3.1 t -119.54 -52.08 3.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 125.234 1.414 . . . . 0.0 109.924 177.998 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -62.75 -26.31 68.63 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 178.11 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -56.27 -32.89 64.95 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.571 1.148 . . . . 0.0 112.583 175.744 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -79.53 -49.77 11.74 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.312 0.645 . . . . 0.0 110.597 179.154 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.424 ' CE2' HD11 ' A' ' 7' ' ' LEU . 86.2 t80 -59.1 -41.82 89.02 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.538 1.135 . . . . 0.0 112.23 178.729 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.1 -46.23 90.0 Favored 'General case' 0 N--CA 1.451 -0.397 0 O-C-N 121.177 -0.952 . . . . 0.0 111.582 179.174 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -69.48 -17.41 63.61 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 114.167 1.173 . . . . 0.0 114.167 178.089 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . 0.285 1.2 p30 -91.21 -16.38 27.74 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 120.206 1.366 . . . . 0.0 114.419 171.673 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 63.6 m-80 -87.62 -32.73 19.13 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.273 0.629 . . . . 0.0 109.824 167.671 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.02 6.88 22.22 Favored Glycine 0 CA--C 1.531 1.067 0 C-N-CA 127.792 2.615 . . . . 0.0 114.928 171.219 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.463 HG23 HD21 ' A' ' 12' ' ' LEU . 34.2 t -84.82 152.6 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 123.857 0.863 . . . . 0.0 111.693 173.708 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -162.51 52.35 0.2 Allowed 'General case' 0 CA--C 1.549 0.93 0 CA-C-O 123.067 1.413 . . . . 0.0 111.969 168.889 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.44 -154.69 1.3 Allowed Glycine 0 CA--C 1.545 1.959 0 C-N-CA 127.188 2.327 . . . . 0.0 117.714 177.855 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -62.49 0.59 0.45 Allowed 'General case' 0 N--CA 1.486 1.349 1 N-CA-C 121.839 4.015 . . . . 0.0 121.839 -168.265 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 82.2 m95 28.4 74.51 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 129.225 3.01 . . . . 0.0 116.27 -174.735 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.46 165.48 11.63 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 125.657 1.583 . . . . 0.0 112.003 176.291 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -151.52 164.32 37.07 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 126.236 1.814 . . . . 0.0 110.737 178.688 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -139.72 168.76 19.08 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.916 1.286 . . . . 0.0 111.742 -178.239 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.423 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.4 OUTLIER -129.33 -6.16 4.8 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.768 1.627 . . . . 0.0 114.276 176.823 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.91 -32.75 51.86 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 121.467 -0.771 . . . . 0.0 110.624 170.481 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.4 t -139.01 8.78 2.53 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 177.943 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.423 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 2.8 mmpt? 53.78 42.05 31.89 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-O 122.657 1.218 . . . . 0.0 113.269 168.623 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 46.4 m -121.17 113.91 20.67 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 125.883 1.673 . . . . 0.0 109.419 -169.815 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -66.27 156.8 33.27 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.044 0.938 . . . . 0.0 110.518 169.299 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.3 m -149.18 133.47 17.42 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 108.201 -1.036 . . . . 0.0 108.201 171.11 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.2 p -130.42 66.07 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 123.12 1.438 . . . . 0.0 109.917 -171.466 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 31.0 m -58.66 100.58 0.07 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 114.359 -1.292 . . . . 0.0 113.446 -173.44 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -64.72 -14.28 58.04 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 127.871 2.468 . . . . 0.0 113.12 174.545 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -66.19 -22.64 71.0 Favored Glycine 0 CA--C 1.538 1.492 0 C-N-CA 124.341 0.972 . . . . 0.0 113.074 169.016 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.5 p 56.11 -20.65 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 129.83 3.252 . . . . 0.0 119.316 175.084 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -106.69 -7.77 17.16 Favored 'General case' 0 CA--C 1.548 0.865 0 C-N-CA 124.831 1.253 . . . . 0.0 113.385 -170.588 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -150.71 143.74 24.72 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.764 1.226 . . . . 0.0 110.851 173.592 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 31.2 m-70 -71.03 82.64 0.68 Allowed 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 126.185 1.794 . . . . 0.0 112.926 -178.674 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 33.2 m80 -75.99 54.9 0.87 Allowed 'General case' 0 CA--C 1.55 0.946 0 O-C-N 120.972 -1.08 . . . . 0.0 112.641 179.688 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -74.99 39.91 0.14 Allowed 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 126.597 1.959 . . . . 0.0 113.211 178.683 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 22.0 p80 -147.98 165.21 31.42 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.012 1.325 . . . . 0.0 112.749 -169.996 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.0 174.35 3.85 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.602 0.761 . . . . 0.0 112.534 170.014 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -72.8 51.06 0.27 Allowed 'General case' 0 CA--C 1.555 1.144 0 C-N-CA 125.976 1.711 . . . . 0.0 114.731 -172.953 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -67.38 179.34 1.29 Allowed 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.647 1.579 . . . . 0.0 114.492 -179.791 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -61.68 158.91 14.4 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 127.842 2.457 . . . . 0.0 115.124 174.877 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.2 t 52.68 21.32 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 128.309 2.644 . . . . 0.0 116.896 169.445 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 98.3 m -69.67 145.53 95.0 Favored Pre-proline 0 CA--C 1.555 1.16 0 O-C-N 120.698 -1.251 . . . . 0.0 112.408 179.233 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -55.72 54.85 0.04 OUTLIER 'Trans proline' 0 CA--C 1.555 1.553 1 C-N-CA 127.661 5.574 . . . . 0.0 118.291 172.825 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 85.7 mt -117.84 -0.12 11.81 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.374 1.47 . . . . 0.0 114.28 -169.672 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -156.09 169.86 23.51 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.967 1.707 . . . . 0.0 110.158 -179.231 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 4.7 m -94.82 -8.1 38.39 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.247 1.419 . . . . 0.0 113.378 175.96 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.12 130.2 39.76 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.434 1.094 . . . . 0.0 111.156 179.9 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 42.8 t -130.08 134.34 62.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 125.396 1.478 . . . . 0.0 110.935 -172.089 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -90.65 147.46 23.28 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 124.682 1.193 . . . . 0.0 109.056 169.149 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.5 HG13 ' HB3' ' A' ' 113' ' ' ALA . 0.2 OUTLIER -150.12 152.65 11.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.879 0.847 . . . . 0.0 111.89 170.749 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.494 ' HA2' ' HA ' ' A' ' 112' ' ' PHE . . . -134.05 139.76 11.17 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 108.333 -1.907 . . . . 0.0 108.333 167.464 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -146.16 155.18 42.54 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 117.973 0.886 . . . . 0.0 113.295 -167.666 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 54.4 tp 56.5 -28.14 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 130.277 3.431 . . . . 0.0 117.901 176.694 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.42 26.3 70.5 Favored Glycine 0 CA--C 1.539 1.568 0 CA-C-N 120.272 1.396 . . . . 0.0 114.855 179.515 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 21.2 t30 -142.18 -47.18 0.35 Allowed 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 118.334 1.067 . . . . 0.0 113.319 -179.573 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -161.68 165.95 27.43 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.216 1.806 . . . . 0.0 110.199 179.08 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -83.88 138.98 18.13 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.975 -0.45 . . . . 0.0 111.975 171.611 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -155.76 141.46 17.94 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.243 1.817 . . . . 0.0 107.842 168.042 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.9 ptmm? -94.31 -18.42 21.64 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 115.171 1.545 . . . . 0.0 115.171 -170.233 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 14.6 m -47.6 -62.0 1.66 Allowed 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 120.403 1.456 . . . . 0.0 114.753 -169.478 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -76.26 -42.85 44.34 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 117.681 -1.152 . . . . 0.0 110.221 -176.555 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.427 HD12 ' N ' ' A' ' 91' ' ' GLU 0.259 2.7 pp -60.02 -36.1 76.52 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 120.731 1.605 . . . . 0.0 112.618 179.56 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.427 ' N ' HD12 ' A' ' 90' ' ' LEU . 22.1 tt0 -61.01 -48.72 80.51 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.611 1.164 . . . . 0.0 112.429 173.898 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.9 ppt_? -65.47 -39.33 91.84 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 119.497 1.044 . . . . 0.0 112.446 172.124 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.3 -43.12 92.12 Favored 'General case' 0 C--O 1.221 -0.427 0 C-N-CA 125.127 1.371 . . . . 0.0 111.042 -174.845 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.506 ' CD2' HG21 ' A' ' 115' ' ' VAL . 10.5 m-85 -63.68 -64.66 0.84 Allowed 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 124.431 1.092 . . . . 0.0 111.497 173.229 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -61.75 -17.72 54.94 Favored Glycine 0 CA--C 1.545 1.954 0 N-CA-C 115.112 0.805 . . . . 0.0 115.112 -174.593 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -56.4 -50.93 70.18 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.848 1.659 . . . . 0.0 112.902 168.806 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -68.24 -38.74 82.16 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.403 0.681 . . . . 0.0 111.128 177.361 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -174.1 156.18 23.04 Favored Glycine 0 N--CA 1.472 1.093 0 CA-C-O 118.182 -1.344 . . . . 0.0 113.307 169.513 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -61.87 149.79 88.7 Favored 'Trans proline' 0 CA--C 1.536 0.595 0 CA-C-N 121.187 2.494 . . . . 0.0 113.215 -169.647 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -132.24 158.9 40.59 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 177.293 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 20.9 ptt-85 -120.65 -8.88 9.45 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.582 1.553 . . . . 0.0 114.607 -169.681 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.7 t -148.11 139.41 23.48 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.072 0.949 . . . . 0.0 110.935 169.329 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 12.6 t -143.73 124.64 9.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 125.759 1.624 . . . . 0.0 108.517 174.389 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 78.0 t90 -137.72 152.34 49.14 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 125.542 1.537 . . . . 0.0 111.412 179.559 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 4.5 m -145.37 150.5 15.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 124.42 1.088 . . . . 0.0 110.981 176.054 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -79.66 110.02 14.6 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.019 0.528 . . . . 0.0 110.459 178.128 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.71 23.67 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 126.893 2.077 . . . . 0.0 115.985 -174.83 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 25.3 p-10 -145.44 171.31 6.68 Favored Pre-proline 0 CA--C 1.558 1.276 0 C-N-CA 127.172 2.189 . . . . 0.0 111.083 -173.467 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -47.72 -30.34 12.62 Favored 'Trans proline' 0 CA--C 1.546 1.097 0 C-N-CA 124.708 3.606 . . . . 0.0 119.581 -172.091 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -45.66 -32.82 9.09 Favored 'Trans proline' 0 C--N 1.356 0.966 0 C-N-CA 123.965 3.11 . . . . 0.0 115.07 169.444 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 63.99 -13.01 0.15 Allowed Glycine 0 CA--C 1.536 1.352 0 N-CA-C 118.659 2.224 . . . . 0.0 118.659 168.787 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.494 ' HA ' ' HA2' ' A' ' 79' ' ' GLY 0.379 0.1 OUTLIER -66.66 176.76 1.82 Allowed 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 119.096 1.448 . . . . 0.0 113.041 174.951 . . . . . . . . 4 4 . 1 . 024 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.5 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -158.95 170.84 21.21 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 126.346 1.858 . . . . 0.0 113.547 -168.162 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.407 ' CE2' ' C4 ' ' B' ' 152' ' ' ' A' . 89.2 m-85 -147.14 157.7 43.69 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 177.576 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.506 HG21 ' CD2' ' A' ' 94' ' ' PHE . 2.3 t -149.28 157.45 6.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 125.038 1.335 . . . . 0.0 112.604 -174.408 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -133.08 112.43 11.78 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.551 1.14 . . . . 0.0 108.355 165.725 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -74.02 168.03 20.34 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.959 1.303 . . . . 0.0 113.806 173.46 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -71.34 -43.66 66.56 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 121.229 -0.92 . . . . 0.0 112.244 176.78 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -132.84 153.88 81.21 Favored Pre-proline 0 CA--C 1.555 1.153 0 C-N-CA 125.567 1.547 . . . . 0.0 112.468 179.693 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -57.62 -31.83 92.85 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 123.771 2.981 . . . . 0.0 115.024 178.539 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.84 -38.53 79.86 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 120.153 1.342 . . . . 0.0 111.984 173.969 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -57.01 -49.14 76.71 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 119.268 0.94 . . . . 0.0 110.272 173.729 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.47 -43.74 98.1 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-O 118.727 -0.654 . . . . 0.0 112.678 174.6 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.51 -44.5 86.79 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 119.915 1.234 . . . . 0.0 112.691 -178.493 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -64.47 -40.41 95.64 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 118.631 0.65 . . . . 0.0 110.987 174.826 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.49 -53.62 39.88 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 122.023 -0.423 . . . . 0.0 111.695 177.49 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 38.2 t -52.69 -42.54 41.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 125.51 1.524 . . . . 0.0 111.8 176.126 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 34.7 ttp-105 -69.41 -38.58 77.99 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.428 0.691 . . . . 0.0 112.445 179.746 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -97.58 -0.3 46.06 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 -176.245 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.466 ' HB3' HG21 ' A' ' 142' ' ' VAL . 90.4 mt -115.19 -17.15 11.45 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.29 1.836 . . . . 0.0 112.804 173.067 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 41.8 p30 6.43 -54.74 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.973 1 C-N-CA 132.441 4.297 . . . . 0.0 120.145 169.805 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 167.47 12.45 0.02 OUTLIER Glycine 0 CA--C 1.539 1.583 0 C-N-CA 128.349 2.88 . . . . 0.0 116.393 -179.071 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -69.81 -49.1 55.97 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.847 1.659 . . . . 0.0 115.168 -169.503 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 165.09 146.8 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 130.34 3.456 . . . . 0.0 108.747 175.999 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 10.9 tp -165.82 147.02 6.95 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 127.001 2.12 . . . . 0.0 106.484 177.452 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 64.3 m 63.35 -40.91 0.2 Allowed 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 127.72 2.408 . . . . 0.0 112.098 -166.998 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 144.22 28.14 0.11 Allowed Glycine 0 CA--C 1.528 0.904 0 C-N-CA 126.772 2.13 . . . . 0.0 115.048 168.373 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 12.0 t -148.69 -152.31 0.43 Allowed 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.019 1.327 . . . . 0.0 107.6 -174.718 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -70.72 142.21 51.49 Favored 'General case' 0 N--CA 1.463 0.217 0 O-C-N 121.351 -0.843 . . . . 0.0 110.854 171.084 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 9.5 p -130.32 169.86 20.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 105.558 -2.015 . . . . 0.0 105.558 168.074 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -161.51 133.56 5.75 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 126.172 1.789 . . . . 0.0 107.725 168.968 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.466 HG21 ' HB3' ' A' ' 130' ' ' LEU . 64.5 t -139.18 134.59 41.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 CA-C-N 119.293 0.951 . . . . 0.0 110.206 -174.473 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -139.85 161.62 37.14 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.714 0.806 . . . . 0.0 111.179 -176.324 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.76 134.58 38.03 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 168.872 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.42 149.7 47.89 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 -169.833 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 146' ' ' ASN . . . . . 0.471 HD22 ' N4 ' ' B' ' 151' ' ' ' C' . 70.8 m-80 -134.96 158.87 43.21 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.982 1.713 . . . . 0.0 111.734 -175.505 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -63.14 -27.81 71.15 Favored Glycine 0 CA--C 1.538 1.508 0 C-N-CA 123.624 0.63 . . . . 0.0 113.715 171.45 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -153.68 143.28 21.74 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.58 1.552 . . . . 0.0 110.846 170.051 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? 168.63 163.89 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 130.006 3.322 . . . . 0.0 111.096 169.28 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.052 0 C-N-CA 127.109 2.164 . . . . 0.0 110.81 170.508 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 151' ' ' ' C' . . . . . 0.471 ' N4 ' HD22 ' A' ' 146' ' ' ASN . . . . . . . . 0 O4'--C4' 1.417 -2.98 1 C3'-C2'-C1' 105.94 4.934 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 152' ' ' ' A' . . . . . 0.407 ' C4 ' ' CE2' ' A' ' 114' ' ' PHE . . . . . . . . 0 O4'--C4' 1.432 -1.712 3 C4'-C3'-C2' 96.393 -6.307 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 153' ' ' ' U' . . . . . 0.4 " H3'" H5'' ' B' ' 154' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.549 2.971 2 C5'-C4'-O4' 117.473 5.909 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 154' ' ' ' C' . . . . . 0.4 H5'' " H3'" ' B' ' 153' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.416 -3.063 2 O4'-C1'-N19 114.587 6.387 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 91.9 mtp . . . . . 0 N--CA 1.486 1.365 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . 0.266 15.9 tt0 64.74 137.77 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 128.154 2.582 . . . . 0.0 114.835 -169.749 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.431 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 89.8 m-85 -128.55 150.1 50.33 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 127.058 2.143 . . . . 0.0 108.885 -176.703 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -105.71 162.35 13.6 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.743 1.217 . . . . 0.0 111.491 -179.455 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.55 HD11 ' CD2' ' A' ' 7' ' ' LEU . 1.5 tm? -144.92 137.91 26.53 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 127.044 2.138 . . . . 0.0 110.315 175.96 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.3 mp -117.28 113.63 43.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 126.42 1.888 . . . . 0.0 109.7 173.434 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.55 ' CD2' HD11 ' A' ' 5' ' ' LEU . 84.2 mt -85.18 66.8 9.92 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 126.508 1.923 . . . . 0.0 110.271 171.65 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.426 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 55.8 t30 -67.34 72.71 0.13 Allowed 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.352 1.242 . . . . 0.0 114.352 -177.035 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -114.1 132.98 10.86 Favored Glycine 0 N--CA 1.471 1.024 0 CA-C-O 122.864 1.258 . . . . 0.0 115.251 177.244 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.14 -39.25 5.87 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 127.669 2.387 . . . . 0.0 117.422 -169.379 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 38.8 m -105.48 -9.22 17.62 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.384 1.074 . . . . 0.0 113.212 -173.988 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.464 HD11 HG23 ' A' ' 39' ' ' VAL . 2.5 pt? -147.7 2.22 0.71 Allowed 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 117.682 2.475 . . . . 0.0 117.682 -166.754 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.25 146.1 0.09 Allowed 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 117.154 2.279 . . . . 0.0 117.154 -168.426 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.86 -160.63 15.8 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 117.364 1.705 . . . . 0.0 117.364 169.585 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -147.29 165.54 29.81 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.344 1.458 . . . . 0.0 111.647 -175.628 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.0 t -160.19 -177.53 6.34 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.883 1.673 . . . . 0.0 110.238 169.15 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 74.8 p -141.47 170.09 16.37 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 126.022 1.729 . . . . 0.0 109.711 172.112 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.0 t -155.92 155.79 33.45 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 121.204 -0.935 . . . . 0.0 110.876 170.734 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -84.09 119.51 25.06 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 168.252 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.36 173.86 11.11 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.698 1.599 . . . . 0.0 112.077 -176.704 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 83.9 t -77.87 -46.63 26.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 O-C-N 121.631 -0.668 . . . . 0.0 110.5 169.275 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.431 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 5.3 t70 177.25 -156.88 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 131.064 3.746 . . . . 0.0 106.07 179.429 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.67 -20.37 2.03 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 120.014 -1.679 . . . . 0.0 114.163 169.841 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.17 -7.24 11.72 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.452 1.101 . . . . 0.0 113.735 172.002 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 54.3 m -140.34 -37.69 0.46 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.979 1.712 . . . . 0.0 112.101 177.035 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.01 -38.85 86.7 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.164 1.386 . . . . 0.0 111.046 177.622 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -74.48 3.31 7.78 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.437 ' HE3' HG23 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -131.27 19.13 4.87 Favored 'General case' 0 C--O 1.226 -0.176 0 C-N-CA 125.111 1.364 . . . . 0.0 111.492 172.924 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.437 HG23 ' HE3' ' A' ' 28' ' ' LYS . 3.5 t -119.21 -51.73 3.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 124.928 1.291 . . . . 0.0 110.117 176.79 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -60.38 -27.46 67.43 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.816 0.672 . . . . 0.0 112.816 177.084 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -56.87 -30.31 63.73 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.886 1.274 . . . . 0.0 112.78 174.119 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -77.78 -52.4 8.98 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 118.605 0.639 . . . . 0.0 110.71 176.808 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -61.8 -41.8 98.21 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.362 1.065 . . . . 0.0 112.383 -178.09 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.38 -50.58 73.14 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 123.353 0.661 . . . . 0.0 111.455 178.116 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 57.4 m-80 -71.82 -15.83 62.15 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 179.881 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -81.78 -31.34 31.9 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 118.99 0.814 . . . . 0.0 112.89 172.112 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 56.8 m-80 -76.97 -35.91 56.85 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 168.08 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 118.56 -3.73 15.3 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 129.297 3.332 . . . . 0.0 114.28 172.4 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.464 HG23 HD11 ' A' ' 12' ' ' LEU . 71.4 t -72.28 148.47 9.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 CA-C-N 118.603 1.202 . . . . 0.0 111.878 176.312 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -164.64 52.24 0.12 Allowed 'General case' 0 CA--C 1.547 0.856 0 CA-C-O 123.323 1.535 . . . . 0.0 109.866 167.953 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.38 -157.42 0.22 Allowed Glycine 0 CA--C 1.539 1.555 0 C-N-CA 127.067 2.27 . . . . 0.0 116.351 172.721 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -71.6 95.61 1.45 Allowed 'General case' 0 CA--C 1.546 0.789 0 O-C-N 121.344 -1.091 . . . . 0.0 112.178 177.843 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 84.8 m95 -60.6 118.88 7.1 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 120.717 -1.24 . . . . 0.0 110.07 -179.313 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -130.72 161.05 32.54 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 126.851 2.06 . . . . 0.0 110.243 -174.397 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -153.09 164.87 37.22 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.69 1.196 . . . . 0.0 111.101 -179.688 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -140.6 164.22 30.75 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.015 1.726 . . . . 0.0 110.463 -176.826 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.405 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 21.4 t70 -132.57 -2.02 3.43 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.095 1.358 . . . . 0.0 114.59 -179.311 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.83 -28.88 32.84 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 121.453 -0.779 . . . . 0.0 110.28 169.572 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.6 p -135.11 -12.88 2.15 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 125.667 1.587 . . . . 0.0 113.175 -171.951 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.405 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 1.0 OUTLIER 62.54 46.58 5.49 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.622 1.569 . . . . 0.0 112.407 178.018 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 95.4 m -118.25 113.64 21.8 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 125.041 1.337 . . . . 0.0 111.088 -174.059 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -67.64 159.31 30.22 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.994 0.918 . . . . 0.0 111.171 169.033 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 25.7 m -146.23 159.6 43.11 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 125.321 1.449 . . . . 0.0 107.814 170.645 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.501 ' CG1' HD23 ' A' ' 7' ' ' LEU 0.259 12.2 p -152.73 68.84 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-O 122.77 1.272 . . . . 0.0 110.943 -179.519 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.426 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 94.8 m -66.48 113.68 4.9 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.496 -0.752 . . . . 0.0 112.266 -172.146 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.43 86.83 5.71 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.214 1.405 . . . . 0.0 113.338 -170.004 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -123.69 37.31 2.75 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 126.566 2.031 . . . . 0.0 109.69 168.797 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 94.1 p -126.43 -20.63 4.36 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 126.06 1.744 . . . . 0.0 113.735 -169.674 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -132.42 71.45 1.47 Allowed 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.883 2.073 . . . . 0.0 109.053 -176.947 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -58.37 -18.9 31.34 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 120.838 -1.164 . . . . 0.0 113.744 -178.714 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 32.0 p80 -62.63 -18.83 63.01 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 170.926 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 25.8 m170 -76.85 -11.39 59.82 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 119.451 1.023 . . . . 0.0 113.646 169.761 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 44.0 t60 -59.89 141.66 55.04 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 119.806 1.185 . . . . 0.0 113.238 -171.318 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 33.7 t-80 -146.88 173.66 12.21 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 127.384 2.274 . . . . 0.0 108.336 174.569 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 43.3 tpp -66.33 75.32 0.09 Allowed 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.521 1.528 . . . . 0.0 113.474 -175.408 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 56.8 m-70 -141.35 136.05 31.09 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.596 1.558 . . . . 0.0 113.344 -173.029 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.2 mmt180 -139.31 7.7 2.4 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 126.414 1.885 . . . . 0.0 111.404 167.344 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -62.75 161.42 12.53 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.485 0.714 . . . . 0.0 110.649 169.177 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.9 m 63.29 -18.8 0.06 Allowed 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 116.034 1.864 . . . . 0.0 116.034 -178.846 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 7.2 t -145.25 67.49 13.17 Favored Pre-proline 0 CA--C 1.554 1.114 0 C-N-CA 126.399 1.879 . . . . 0.0 110.568 170.629 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -55.45 -18.48 19.59 Favored 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 124.705 3.603 . . . . 0.0 116.923 -174.154 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.5 tp -141.47 179.74 6.62 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.056 1.742 . . . . 0.0 110.053 177.734 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -147.67 168.95 20.74 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.093 0.957 . . . . 0.0 111.671 -172.523 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 4.4 t -76.74 34.99 0.15 Allowed 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.16 1.384 . . . . 0.0 112.633 176.335 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.33 139.35 37.12 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 126.812 2.045 . . . . 0.0 112.258 -169.352 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -134.94 154.57 36.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 C-N-CA 126.807 2.043 . . . . 0.0 109.089 -177.787 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -112.45 148.82 33.57 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 127.926 2.49 . . . . 0.0 109.829 -176.723 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.615 HG13 ' HB3' ' A' ' 113' ' ' ALA . 2.9 p -144.98 140.23 22.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-O 121.609 0.719 . . . . 0.0 111.321 169.152 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -154.65 -177.86 28.42 Favored Glycine 0 N--CA 1.474 1.231 0 N-CA-C 116.29 1.276 . . . . 0.0 116.29 175.458 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 25.3 m120 48.14 62.24 2.6 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.688 1.595 . . . . 0.0 112.127 -173.925 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.3 pp -114.42 -16.0 12.01 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 116.178 1.918 . . . . 0.0 116.178 -169.507 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 114.34 -171.52 13.8 Favored Glycine 0 N--CA 1.48 1.582 0 CA-C-N 120.823 1.647 . . . . 0.0 115.805 174.726 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -78.65 45.37 0.58 Allowed 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 126.966 2.106 . . . . 0.0 112.502 -179.947 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 63.0 t-20 -150.02 158.42 44.15 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 127.39 2.276 . . . . 0.0 108.49 -169.608 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 163.08 -141.04 6.87 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 120.629 -1.294 . . . . 0.0 116.302 -170.203 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 61.3 t30 66.27 -41.72 0.37 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 130.487 3.515 . . . . 0.0 114.248 -169.59 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.277 20.3 pttp 150.39 -32.77 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.068 1 C-N-CA 131.86 4.064 . . . . 0.0 114.44 168.457 . . . . . . . . 3 2 . 1 . 025 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 54.5 m -40.2 -58.43 1.48 Allowed 'General case' 0 N--CA 1.483 1.225 0 N-CA-C 115.438 1.644 . . . . 0.0 115.438 -169.192 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.91 -56.54 12.67 Favored 'General case' 0 C--O 1.235 0.318 0 O-C-N 122.068 -0.395 . . . . 0.0 110.628 -178.242 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.404 HD12 ' N ' ' A' ' 91' ' ' GLU . 3.4 pp -65.42 -28.68 69.42 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -174.218 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.404 ' N ' HD12 ' A' ' 90' ' ' LEU . 38.2 tt0 -64.59 -47.94 76.8 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 126.346 1.858 . . . . 0.0 111.116 175.896 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.78 -31.95 71.33 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 119.398 0.999 . . . . 0.0 112.525 170.695 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.59 -45.45 94.06 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 118.827 0.74 . . . . 0.0 112.158 176.059 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.476 ' CZ ' HG11 ' A' ' 115' ' ' VAL . 11.2 m-85 -64.49 -64.81 0.78 Allowed 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 125.961 1.704 . . . . 0.0 110.984 173.617 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -54.08 -22.31 20.52 Favored Glycine 0 CA--C 1.546 2.006 0 N-CA-C 116.178 1.231 . . . . 0.0 116.178 -179.447 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -56.58 -50.72 71.1 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.583 1.553 . . . . 0.0 113.257 169.021 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.551 ' CE2' HD22 ' A' ' 130' ' ' LEU . 88.9 m-85 -63.91 -38.14 90.0 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 118.97 0.805 . . . . 0.0 109.997 175.511 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 176.05 165.45 31.89 Favored Glycine 0 N--CA 1.471 1.012 0 CA-C-O 118.863 -0.965 . . . . 0.0 113.982 168.871 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -61.04 126.06 18.61 Favored 'Trans proline' 0 N--CA 1.459 -0.516 0 CA-C-N 120.565 2.183 . . . . 0.0 114.483 -169.006 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 23.5 mt -63.17 161.12 14.1 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 126.532 1.933 . . . . 0.0 113.067 171.113 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.7 ttm180 -110.8 -35.96 5.83 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.541 1.536 . . . . 0.0 110.743 169.043 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.6 m -168.98 161.06 10.46 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 126.148 1.779 . . . . 0.0 111.216 171.191 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 60.4 t -142.06 141.89 28.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 125.35 1.46 . . . . 0.0 109.305 177.303 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 72.0 t90 -140.66 142.68 34.92 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.716 1.607 . . . . 0.0 110.372 179.112 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.514 HG12 ' HB1' ' A' ' 113' ' ' ALA . 0.9 OUTLIER -142.29 146.77 22.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 169.28 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -57.08 152.61 13.0 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 -178.63 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -76.24 -37.45 57.65 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.162 0.985 . . . . 0.0 109.957 169.5 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -64.95 156.13 81.19 Favored Pre-proline 0 CA--C 1.552 1.027 0 C-N-CA 124.305 1.042 . . . . 0.0 108.611 167.249 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 0.8 OUTLIER -24.17 97.14 0.01 OUTLIER 'Trans proline' 0 CA--C 1.551 1.348 1 C-N-CA 126.44 4.76 . . . . 0.0 117.037 -169.538 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -57.5 15.81 0.03 OUTLIER 'Trans proline' 0 CA--C 1.545 1.04 1 C-N-CA 126.882 5.055 . . . . 0.0 119.415 -173.02 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -69.54 12.81 1.3 Allowed Glycine 0 CA--C 1.54 1.639 0 C-N-CA 125.93 1.729 . . . . 0.0 114.877 178.321 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -157.17 143.17 17.78 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 129.752 3.221 . . . . 0.0 106.89 -171.028 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.615 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -163.21 171.5 16.16 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 124.049 0.94 . . . . 0.0 112.887 -169.576 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -135.95 157.46 46.79 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.698 1.199 . . . . 0.0 112.647 176.942 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.476 HG11 ' CZ ' ' A' ' 94' ' ' PHE . 1.1 p -156.61 154.72 5.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 124.389 1.075 . . . . 0.0 111.763 -170.515 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -143.79 150.36 38.44 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 125.425 1.49 . . . . 0.0 110.082 168.11 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -121.0 160.72 22.95 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.977 1.311 . . . . 0.0 111.854 -172.807 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -81.21 -21.69 39.38 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 120.921 -1.112 . . . . 0.0 113.33 -175.83 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -125.91 125.05 24.82 Favored Pre-proline 0 CA--C 1.545 0.784 0 C-N-CA 126.285 1.834 . . . . 0.0 107.915 170.486 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -49.26 -28.88 15.83 Favored 'Trans proline' 0 CA--C 1.535 0.561 0 C-N-CA 123.705 2.936 . . . . 0.0 114.413 171.771 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.12 -26.08 62.86 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.169 0.987 . . . . 0.0 113.168 174.165 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -67.76 -45.8 73.88 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 119.796 1.18 . . . . 0.0 110.273 169.72 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.78 -34.88 78.18 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 118.462 -0.78 . . . . 0.0 112.002 172.941 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.54 -45.27 76.16 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 120.06 1.3 . . . . 0.0 112.914 174.307 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -54.21 -46.09 72.4 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.191 0.596 . . . . 0.0 110.445 170.532 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.411 ' HB1' HD23 ' A' ' 130' ' ' LEU . . . -64.87 -51.01 64.32 Favored 'General case' 0 CA--C 1.549 0.941 0 O-C-N 121.577 -0.702 . . . . 0.0 111.672 176.699 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 24.2 t -56.95 -18.15 6.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 O-C-N 119.748 -1.845 . . . . 0.0 114.222 178.186 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.72 -2.91 11.79 Favored 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 116.026 1.862 . . . . 0.0 116.026 173.009 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -132.56 -1.53 3.47 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.163 1.385 . . . . 0.0 114.543 -176.142 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.551 HD22 ' CE2' ' A' ' 97' ' ' TYR . 8.6 tp -126.31 -6.31 6.52 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 128.092 2.557 . . . . 0.0 111.409 -177.971 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -86.93 133.84 33.56 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 127.456 2.302 . . . . 0.0 112.937 179.024 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 53.44 37.66 56.22 Favored Glycine 0 CA--C 1.537 1.443 0 O-C-N 120.463 -1.398 . . . . 0.0 113.856 179.295 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 27.0 mmt-85 -111.66 -17.18 13.07 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 115.047 1.499 . . . . 0.0 115.047 -169.634 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 97.0 m 63.19 131.4 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 127.498 2.319 . . . . 0.0 110.713 -168.27 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 18.8 tp -150.23 -78.98 0.13 Allowed 'General case' 0 N--CA 1.472 0.625 0 O-C-N 121.316 -0.865 . . . . 0.0 111.627 -169.587 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 12.3 m -69.08 -21.41 64.07 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 123.756 0.823 . . . . 0.0 111.33 178.781 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 158.56 -21.54 0.33 Allowed Glycine 0 CA--C 1.536 1.402 0 C-N-CA 125.396 1.474 . . . . 0.0 116.237 169.864 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 11.9 t -106.33 -90.02 0.43 Allowed 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 118.639 1.219 . . . . 0.0 113.055 -169.757 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -141.94 -29.94 0.59 Allowed 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 116.931 2.197 . . . . 0.0 116.931 -170.361 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . 0.291 3.3 m 45.72 74.21 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 129.798 3.239 . . . . 0.0 115.996 -171.395 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -65.36 134.84 54.4 Favored 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 105.748 -1.945 . . . . 0.0 105.748 166.275 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 81.2 t -141.08 129.04 22.74 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 CA-C-N 119.754 1.161 . . . . 0.0 108.631 -176.289 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -144.39 171.7 13.97 Favored 'General case' 0 N--CA 1.483 1.193 0 CA-C-N 119.011 0.823 . . . . 0.0 111.38 -172.067 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 8.9 tt -73.22 135.86 44.6 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 119.828 -1.795 . . . . 0.0 108.656 168.253 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 24.5 t -80.77 142.39 33.82 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -172.954 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -50.81 -26.13 5.31 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 116.18 1.919 . . . . 0.0 116.18 -177.789 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 170.11 -170.24 42.75 Favored Glycine 0 CA--C 1.529 0.928 0 C-N-CA 124.295 0.95 . . . . 0.0 112.942 178.572 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -166.31 166.14 16.88 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.733 1.613 . . . . 0.0 111.122 170.232 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.56 143.88 42.98 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.634 1.173 . . . . 0.0 111.798 172.561 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 33.7 mmt180 . . . . . 0 C--O 1.246 0.896 0 C-N-CA 127.491 2.316 . . . . 0.0 110.463 -171.257 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 151' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.802 1 C3'-C2'-C1' 105.189 4.099 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 152' ' ' ' A' . . . . . 0.475 " H4'" ' C5 ' ' B' ' 153' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.537 2.106 2 O4'-C1'-N19 114.879 6.679 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 153' ' ' ' U' . . . . . 0.475 ' C5 ' " H4'" ' B' ' 152' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.544 2.616 3 C2'-C3'-O3' 124.298 4.749 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 025 nuclear build full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.107 3 O4'-C1'-N19 117.064 8.864 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.5 mmm . . . . . 0 N--CA 1.485 1.303 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -85.68 143.07 28.59 Favored 'General case' 0 CA--C 1.546 0.813 0 O-C-N 120.552 -1.343 . . . . 0.0 111.76 177.875 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -127.06 153.56 45.81 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 127.425 2.29 . . . . 0.0 108.951 -179.792 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -103.68 161.26 14.06 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.492 1.117 . . . . 0.0 111.177 178.343 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.482 HD11 ' CD2' ' A' ' 7' ' ' LEU . 0.8 OUTLIER -144.96 135.8 24.66 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 126.641 1.976 . . . . 0.0 110.118 175.052 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mp -114.49 109.77 29.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 126.309 1.843 . . . . 0.0 109.505 172.325 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.482 ' CD2' HD11 ' A' ' 5' ' ' LEU . 88.0 mt -78.77 79.22 5.19 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 124.473 1.109 . . . . 0.0 108.162 168.91 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 22.3 m-20 -63.1 49.72 0.02 OUTLIER 'General case' 0 CA--C 1.56 1.353 0 C-N-CA 125.469 1.507 . . . . 0.0 111.952 168.607 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.26 73.65 2.07 Favored Glycine 0 C--N 1.334 0.467 0 O-C-N 119.465 -2.022 . . . . 0.0 111.572 -172.967 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.415 ' HE2' HG23 ' A' ' 11' ' ' THR . 7.4 ttpm? 25.52 -84.58 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 129.649 3.18 . . . . 0.0 115.429 172.29 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.415 HG23 ' HE2' ' A' ' 10' ' ' LYS . 0.6 OUTLIER -75.18 -32.48 61.26 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 126.637 1.975 . . . . 0.0 113.099 -171.432 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.2 pp -109.8 -37.02 5.76 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 114.686 1.365 . . . . 0.0 114.686 -168.991 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 12.91 145.74 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.965 1 C-N-CA 133.881 4.872 . . . . 0.0 121.527 -168.761 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.83 -161.98 18.68 Favored Glycine 0 CA--C 1.531 1.078 0 N-CA-C 117.562 1.785 . . . . 0.0 117.562 169.763 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -156.46 157.02 34.77 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.632 1.573 . . . . 0.0 112.843 -179.626 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.9 t -159.98 -172.03 3.47 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 126.168 1.787 . . . . 0.0 109.521 178.047 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 64.3 p -138.55 169.42 17.81 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 126.086 1.755 . . . . 0.0 110.733 176.715 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.643 HG21 ' CG1' ' A' ' 29' ' ' VAL . 3.0 t -153.46 151.87 30.36 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.404 1.082 . . . . 0.0 110.593 177.483 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.9 tp10 -84.02 115.98 22.61 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 169.241 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.76 177.01 8.19 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.198 1.399 . . . . 0.0 113.653 179.823 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 97.7 t -79.33 -49.17 20.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 O-C-N 120.842 -1.161 . . . . 0.0 110.61 169.323 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 t70 178.49 -157.7 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 131.52 3.928 . . . . 0.0 105.821 179.729 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.98 -18.87 1.53 Allowed 'General case' 0 CA--C 1.546 0.824 0 CA-C-N 121.376 1.898 . . . . 0.0 114.667 170.859 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.27 -10.41 42.08 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.451 1.1 . . . . 0.0 113.488 172.999 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 46.4 m -140.06 -32.41 0.61 Allowed 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.269 1.827 . . . . 0.0 112.542 178.682 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.423 ' HA ' HG12 ' A' ' 29' ' ' VAL . . . -68.4 -36.13 78.67 Favored 'General case' 0 CA--C 1.546 0.799 0 O-C-N 120.838 -1.164 . . . . 0.0 110.632 174.868 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -76.41 5.17 7.59 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 114.656 1.354 . . . . 0.0 114.656 178.449 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.19 18.33 3.42 Favored 'General case' 0 N--CA 1.466 0.351 0 O-C-N 120.307 -1.495 . . . . 0.0 111.738 173.561 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.643 ' CG1' HG21 ' A' ' 18' ' ' THR . 3.1 p -120.47 -41.75 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 C-N-CA 124.377 1.071 . . . . 0.0 112.195 177.287 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.441 ' CZ ' HG22 ' A' ' 18' ' ' THR . 25.8 m-85 -68.78 -26.02 65.0 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 123.99 0.916 . . . . 0.0 113.11 173.296 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -54.97 -29.95 58.04 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.261 1.424 . . . . 0.0 112.959 175.123 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -80.25 -53.18 6.89 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 123.993 0.917 . . . . 0.0 110.283 177.033 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -57.0 -43.04 81.36 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.471 1.109 . . . . 0.0 112.327 178.878 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.79 -53.3 58.37 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 124.075 0.95 . . . . 0.0 111.541 175.751 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -69.86 -16.1 63.2 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.128 0.971 . . . . 0.0 113.504 177.261 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -78.19 -31.44 49.51 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 120.191 1.36 . . . . 0.0 112.299 170.831 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -77.95 -37.32 47.78 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 168.0 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 123.23 -11.35 8.62 Favored Glycine 0 CA--C 1.539 1.551 1 C-N-CA 130.727 4.013 . . . . 0.0 113.896 172.549 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.5 t -62.11 148.07 10.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 CA-C-N 118.834 1.317 . . . . 0.0 111.986 -177.389 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -163.96 61.04 0.16 Allowed 'General case' 0 CA--C 1.551 0.999 0 CA-C-O 122.517 1.151 . . . . 0.0 113.407 169.458 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -88.29 -150.98 21.9 Favored Glycine 0 CA--C 1.543 1.802 0 C-N-CA 126.342 1.925 . . . . 0.0 116.295 -176.742 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -71.94 94.7 1.48 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.848 1.659 . . . . 0.0 111.809 175.804 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -64.22 128.98 38.13 Favored 'General case' 0 N--CA 1.465 0.308 0 O-C-N 120.617 -1.302 . . . . 0.0 110.342 -179.384 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.69 162.63 32.21 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 126.529 1.932 . . . . 0.0 110.373 -170.931 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -154.39 167.86 28.57 Favored 'General case' 0 CA--C 1.543 0.712 0 C-N-CA 124.201 1.0 . . . . 0.0 111.834 -178.841 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -144.24 161.48 38.8 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.39 1.876 . . . . 0.0 110.523 -177.767 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.406 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.3 OUTLIER -129.68 -1.68 4.83 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 179.446 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.52 -28.43 33.98 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 121.521 -0.737 . . . . 0.0 110.664 170.273 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.6 p -135.23 -13.04 2.11 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.719 1.608 . . . . 0.0 113.203 -172.369 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.406 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 1.1 mmpt? 63.65 47.31 3.75 Favored 'General case' 0 C--N 1.347 0.489 0 C-N-CA 125.848 1.659 . . . . 0.0 112.425 178.544 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 89.6 m -117.09 110.86 18.73 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.81 1.244 . . . . 0.0 111.615 -173.931 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -64.62 160.62 19.32 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.043 0.937 . . . . 0.0 110.959 168.623 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 32.4 m -147.19 161.54 40.7 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 125.216 1.406 . . . . 0.0 107.963 170.498 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.426 ' CG1' HD23 ' A' ' 7' ' ' LEU . 12.6 p -151.06 93.58 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 C-N-CA 124.752 1.221 . . . . 0.0 110.629 172.309 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 50.0 m -85.59 116.1 23.68 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 121.625 -0.672 . . . . 0.0 110.884 -178.45 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -72.94 47.22 0.18 Allowed 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.237 1.415 . . . . 0.0 114.101 179.039 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.3 -17.02 37.21 Favored Glycine 0 CA--C 1.54 1.598 0 C-N-CA 125.007 1.289 . . . . 0.0 113.215 169.489 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.7 p -62.73 -12.21 22.45 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.962 2.105 . . . . 0.0 114.2 169.155 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . 0.275 0.1 OUTLIER 57.36 -13.85 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 130.52 3.528 . . . . 0.0 119.747 172.172 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 48.3 m80 -70.26 3.07 3.1 Favored 'General case' 0 CA--C 1.553 1.072 0 N-CA-C 115.594 1.702 . . . . 0.0 115.594 -177.459 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 73.63 -44.98 0.59 Allowed 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 129.183 2.993 . . . . 0.0 115.459 173.63 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.2 p-80 -147.51 131.93 17.62 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 114.395 1.257 . . . . 0.0 114.395 -174.487 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 39.2 m-70 61.43 151.26 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 128.944 2.897 . . . . 0.0 116.1 175.617 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -152.91 161.89 41.99 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.478 1.511 . . . . 0.0 110.389 175.637 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 9.7 tpt 61.6 4.61 1.06 Allowed 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 126.235 1.814 . . . . 0.0 113.638 -169.293 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 36.2 m80 -151.11 159.15 44.66 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 129.093 2.957 . . . . 0.0 108.194 -176.625 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.8 tpp180 -144.41 67.38 1.26 Allowed 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 175.803 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -71.77 -30.79 65.94 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.728 1.211 . . . . 0.0 114.0 170.216 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 81.2 p -160.72 162.63 32.58 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.625 1.17 . . . . 0.0 113.097 -173.284 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -150.11 165.85 16.54 Favored Pre-proline 0 CA--C 1.548 0.892 0 C-N-CA 126.358 1.863 . . . . 0.0 111.007 173.981 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -65.4 155.54 68.17 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 122.574 2.183 . . . . 0.0 112.107 179.63 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 38.1 mt -118.86 12.15 12.81 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.019 1.328 . . . . 0.0 112.364 -171.329 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -157.86 -39.64 0.07 Allowed 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.386 1.475 . . . . 0.0 113.708 -168.407 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 8.9 t -66.58 -23.03 66.14 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.058 1.343 . . . . 0.0 113.444 -175.919 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.4 ttmm -166.99 128.95 1.68 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 128.379 2.672 . . . . 0.0 109.482 168.156 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.463 HG22 HG22 ' A' ' 115' ' ' VAL . 2.0 m -118.23 150.95 20.32 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 C-N-CA 127.848 2.459 . . . . 0.0 108.204 176.212 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -98.15 151.75 20.07 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 124.993 1.317 . . . . 0.0 110.131 178.002 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -155.51 151.11 10.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 122.065 0.936 . . . . 0.0 112.049 175.609 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -150.28 134.48 4.81 Favored Glycine 0 CA--C 1.528 0.892 0 N-CA-C 110.129 -1.189 . . . . 0.0 110.129 168.487 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -146.69 151.21 36.85 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 118.096 0.948 . . . . 0.0 112.877 -169.772 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.6 tp 60.26 -37.01 0.08 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 129.473 3.109 . . . . 0.0 115.861 -177.671 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 70.5 165.18 5.52 Favored Glycine 0 CA--C 1.538 1.496 0 C-N-CA 126.612 2.053 . . . . 0.0 113.097 -169.483 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 18.3 m120 57.06 -8.53 0.03 OUTLIER 'General case' 0 CA--C 1.557 1.219 0 C-N-CA 127.712 2.405 . . . . 0.0 117.465 -178.32 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -157.18 162.46 39.32 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.13 1.372 . . . . 0.0 112.35 171.266 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -140.53 127.49 3.49 Favored Glycine 0 N--CA 1.472 1.049 0 C-N-CA 125.947 1.737 . . . . 0.0 112.044 -176.997 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -149.54 134.97 18.38 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.88 1.272 . . . . 0.0 109.857 170.618 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.29 -22.67 64.72 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 115.508 1.669 . . . . 0.0 115.508 -177.704 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 26.7 m -52.36 -56.46 14.76 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 114.992 1.479 . . . . 0.0 114.992 -169.182 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -75.86 -43.69 44.42 Favored 'General case' 0 C--N 1.345 0.375 0 CA-C-N 119.579 1.081 . . . . 0.0 110.541 -176.966 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.2 pp -60.78 -35.53 76.68 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 120.158 1.345 . . . . 0.0 112.334 178.769 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -60.28 -50.04 75.23 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 121.139 -0.976 . . . . 0.0 112.163 173.212 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.38 -34.69 78.91 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 119.555 1.07 . . . . 0.0 112.279 173.513 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.86 -43.32 83.89 Favored 'General case' 0 C--O 1.223 -0.311 0 C-N-CA 124.159 0.984 . . . . 0.0 111.427 -177.443 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.464 ' CD2' HG11 ' A' ' 115' ' ' VAL . 15.8 m-85 -67.75 -62.62 1.33 Allowed 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 124.562 1.145 . . . . 0.0 111.422 173.557 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.03 -17.91 45.98 Favored Glycine 0 CA--C 1.545 1.964 0 N-CA-C 115.817 1.087 . . . . 0.0 115.817 -178.543 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -54.82 -50.06 69.5 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 119.143 1.471 . . . . 0.0 112.182 168.446 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -65.59 -43.17 90.53 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.601 0.76 . . . . 0.0 110.281 175.027 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 179.01 159.13 22.71 Favored Glycine 0 N--CA 1.476 1.303 0 CA-C-O 118.483 -1.176 . . . . 0.0 114.787 169.205 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -51.31 128.04 24.18 Favored 'Trans proline' 0 C--O 1.235 0.363 0 C-N-CA 122.895 2.396 . . . . 0.0 116.06 -169.288 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.558 HD13 ' CG2' ' A' ' 103' ' ' VAL . 15.1 mt -68.43 152.81 44.88 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 113.676 -1.602 . . . . 0.0 111.492 169.808 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -98.04 -29.8 13.06 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.827 1.651 . . . . 0.0 111.525 169.909 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.6 m -169.97 163.33 9.43 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 126.075 1.75 . . . . 0.0 111.11 169.245 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.558 ' CG2' HD13 ' A' ' 100' ' ' LEU . 62.4 t -139.9 140.6 35.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 125.794 1.637 . . . . 0.0 109.442 179.204 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 86.3 t90 -145.62 140.25 27.21 Favored 'General case' 0 N--CA 1.461 0.116 0 C-N-CA 125.335 1.454 . . . . 0.0 111.31 179.831 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -144.32 150.49 16.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 168.203 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.415 ' HB1' " H1'" ' B' ' 153' ' ' ' U' . . . -59.19 128.85 39.21 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.907 -0.495 . . . . 0.0 111.528 175.415 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 2.2 tpm_? -75.58 -27.26 58.49 Favored 'General case' 0 N--CA 1.48 1.028 0 O-C-N 121.853 -0.529 . . . . 0.0 111.36 175.581 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -62.47 146.94 92.97 Favored Pre-proline 0 CA--C 1.559 1.313 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 167.39 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_exo -47.7 -32.02 15.76 Favored 'Trans proline' 0 CA--C 1.548 1.179 0 N-CA-C 119.616 2.891 . . . . 0.0 119.616 -170.729 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_exo -46.26 103.83 0.06 OUTLIER 'Trans proline' 0 CA--C 1.544 0.981 0 C-N-CA 124.345 3.364 . . . . 0.0 115.799 173.774 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -67.81 53.07 0.36 Allowed Glycine 0 N--CA 1.473 1.119 1 C-N-CA 130.823 4.059 . . . . 0.0 115.344 178.624 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -124.08 151.95 43.26 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 127.98 2.512 . . . . 0.0 106.811 178.576 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -158.18 175.12 14.18 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 115.404 1.631 . . . . 0.0 115.404 -166.02 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -145.4 149.04 34.02 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.534 0.734 . . . . 0.0 111.403 170.794 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.464 HG11 ' CD2' ' A' ' 94' ' ' PHE . 28.4 m -138.68 172.25 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 O-C-N 120.802 -1.186 . . . . 0.0 112.235 172.294 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -148.14 153.0 38.25 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 124.162 0.985 . . . . 0.0 110.143 169.63 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -122.52 153.5 39.11 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.711 1.204 . . . . 0.0 112.244 -169.59 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -72.76 -17.25 61.61 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 178.631 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -146.14 126.77 7.17 Favored Pre-proline 0 CA--C 1.555 1.163 0 C-N-CA 124.477 1.111 . . . . 0.0 112.504 -173.947 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -53.41 -36.02 77.71 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 124.5 3.466 . . . . 0.0 115.41 174.864 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 23.3 ttp-105 -57.13 -48.15 79.36 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 119.235 0.925 . . . . 0.0 110.432 174.721 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -77.09 -34.84 56.84 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 119.099 -0.477 . . . . 0.0 111.275 -173.902 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.18 -45.35 93.41 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.57 0.748 . . . . 0.0 111.648 169.833 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.44 -46.09 74.13 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.708 0.803 . . . . 0.0 111.807 179.834 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -68.44 -33.2 73.78 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.654 0.661 . . . . 0.0 112.261 178.511 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.87 -57.14 13.93 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.303 0.641 . . . . 0.0 110.029 169.914 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 41.1 t -50.72 -42.83 23.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 124.396 1.078 . . . . 0.0 112.444 174.329 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 53.3 ttp85 -61.75 -31.98 72.19 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 126.115 1.766 . . . . 0.0 113.314 179.264 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -109.78 -10.56 14.78 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 124.694 1.198 . . . . 0.0 114.133 -176.215 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 53.0 mt -100.57 -34.08 10.05 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.447 1.499 . . . . 0.0 114.16 -176.863 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -67.79 142.73 56.11 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 -172.486 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 69.9 -24.73 0.41 Allowed Glycine 0 CA--C 1.538 1.497 0 N-CA-C 119.848 2.699 . . . . 0.0 119.848 169.099 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -71.88 -81.08 0.06 Allowed 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.53 1.532 . . . . 0.0 114.439 -169.323 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.8 m -179.72 141.99 0.16 Allowed 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 130.11 3.364 . . . . 0.0 107.591 -174.808 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -159.3 136.21 9.51 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 177.239 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 17.5 t 68.44 -44.59 0.51 Allowed 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 127.184 2.194 . . . . 0.0 110.731 -167.086 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 162.53 12.13 0.03 OUTLIER Glycine 0 CA--C 1.532 1.095 0 N-CA-C 117.498 1.759 . . . . 0.0 117.498 168.658 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 6.4 t -157.33 -168.37 2.58 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.377 1.588 . . . . 0.0 108.738 -176.687 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 3.9 ptt180 -30.79 118.35 0.18 Allowed 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 128.548 2.739 . . . . 0.0 113.957 175.615 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 9.1 p -129.29 148.36 33.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 C-N-CA 125.824 1.65 . . . . 0.0 110.138 171.951 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -149.26 140.31 22.97 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 126.373 1.869 . . . . 0.0 108.985 172.515 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 58.9 t -146.32 125.65 5.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -170.026 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -135.32 -179.16 5.46 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 119.307 0.958 . . . . 0.0 110.927 -173.695 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -97.84 137.04 37.3 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 120.874 -1.141 . . . . 0.0 108.288 169.825 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 84.7 p -65.03 157.67 27.77 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 -169.462 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 2.2 t30 59.58 30.31 19.93 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 124.961 1.304 . . . . 0.0 113.686 169.662 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -68.33 -3.33 31.24 Favored Glycine 0 CA--C 1.541 1.69 0 O-C-N 121.038 -1.038 . . . . 0.0 115.346 179.812 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -135.4 -30.53 1.02 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.126 1.77 . . . . 0.0 114.857 -170.617 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -67.93 140.97 56.47 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 171.075 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.908 0 C-N-CA 123.707 0.803 . . . . 0.0 110.973 -169.882 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 151' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.648 1 C3'-C2'-C1' 106.264 5.293 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 152' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.063 2 C4'-C3'-C2' 96.693 -6.007 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 153' ' ' ' U' . . . . . 0.415 " H1'" ' HB1' ' A' ' 106' ' ' ALA . . . . . . . . 0 C5'--C4' 1.552 3.193 3 N19-C1'-C2' 126.411 8.132 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 026 nuclear build full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.712 2 O4'-C1'-N19 117.882 9.682 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.4 tpt . . . . . 0 N--CA 1.482 1.13 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -85.18 142.19 29.63 Favored 'General case' 0 CA--C 1.548 0.882 0 O-C-N 120.604 -1.31 . . . . 0.0 111.75 179.273 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -127.21 154.98 44.15 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 127.503 2.321 . . . . 0.0 109.27 -179.015 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -105.85 162.75 13.28 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 124.857 1.263 . . . . 0.0 111.679 -179.753 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.531 HD22 ' N ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -149.21 131.59 15.64 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 126.511 1.925 . . . . 0.0 110.966 176.159 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.531 ' N ' HD22 ' A' ' 5' ' ' LEU . 1.5 mp -110.18 120.47 61.23 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.247 0 C-N-CA 126.257 1.823 . . . . 0.0 111.217 175.375 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.436 ' CD2' ' HA ' ' A' ' 34' ' ' ALA . 3.0 mp -97.67 60.92 1.58 Allowed 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 126.947 2.099 . . . . 0.0 111.588 -178.648 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -65.17 72.44 0.04 OUTLIER 'General case' 0 CA--C 1.551 1.018 0 O-C-N 121.084 -1.01 . . . . 0.0 113.153 174.873 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.2 22.32 7.27 Favored Glycine 0 N--CA 1.471 1.015 0 O-C-N 119.844 -1.785 . . . . 0.0 116.112 -175.905 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . 0.26 17.3 pttm 53.47 -61.26 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 130.63 3.572 . . . . 0.0 118.158 -176.571 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 36.2 m -70.93 -27.23 63.61 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.702 1.601 . . . . 0.0 110.565 176.353 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -133.31 169.75 16.45 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 128.653 2.781 . . . . 0.0 108.259 168.846 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.25 160.21 39.58 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 123.989 0.916 . . . . 0.0 112.299 169.492 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -168.76 -167.96 30.14 Favored Glycine 0 CA--C 1.532 1.134 0 N-CA-C 116.274 1.269 . . . . 0.0 116.274 169.626 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -159.54 153.76 23.66 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.966 1.706 . . . . 0.0 112.157 174.36 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.3 t -153.6 -172.18 4.14 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.138 1.375 . . . . 0.0 109.603 175.486 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.1 p -141.55 172.79 12.2 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.588 1.555 . . . . 0.0 110.501 176.154 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.64 HG21 ' CG1' ' A' ' 29' ' ' VAL . 4.5 t -158.03 148.67 20.68 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 121.222 -0.924 . . . . 0.0 111.106 178.658 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.2 tp10 -77.02 120.57 22.31 Favored 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 107.3 -1.37 . . . . 0.0 107.3 167.548 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.39 175.97 9.11 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.26 1.424 . . . . 0.0 113.087 175.671 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.7 t -78.94 -47.8 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 O-C-N 120.939 -1.101 . . . . 0.0 110.227 169.035 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 t70 178.53 -156.94 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 131.251 3.821 . . . . 0.0 105.86 178.984 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.77 -19.69 1.78 Allowed 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 121.158 1.799 . . . . 0.0 114.581 170.693 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.83 -9.84 32.48 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.42 1.088 . . . . 0.0 113.745 172.753 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 44.6 m -140.27 -32.41 0.6 Allowed 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.917 1.687 . . . . 0.0 112.582 178.127 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.435 ' HA ' HG12 ' A' ' 29' ' ' VAL . . . -67.51 -37.29 82.57 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 120.852 -1.155 . . . . 0.0 110.402 174.707 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -76.23 5.03 7.53 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 178.254 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.13 18.65 3.43 Favored 'General case' 0 N--CA 1.468 0.425 0 O-C-N 120.291 -1.506 . . . . 0.0 111.874 173.336 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.64 ' CG1' HG21 ' A' ' 18' ' ' THR . 3.1 p -121.27 -41.69 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 C-N-CA 124.423 1.089 . . . . 0.0 112.27 176.662 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.483 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.8 m-85 -68.24 -27.05 66.02 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 124.662 1.185 . . . . 0.0 112.991 173.281 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -54.7 -32.7 59.88 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.925 1.29 . . . . 0.0 112.985 175.764 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -81.03 -48.8 11.72 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.686 0.795 . . . . 0.0 110.829 179.651 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -63.4 -40.46 97.28 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.431 1.092 . . . . 0.0 111.982 179.408 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.436 ' HA ' ' CD2' ' A' ' 7' ' ' LEU . . . -63.3 -45.17 92.62 Favored 'General case' 0 N--CA 1.452 -0.353 0 O-C-N 121.237 -0.914 . . . . 0.0 112.32 178.16 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -67.07 -18.98 65.58 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.777 1.029 . . . . 0.0 113.777 173.312 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -80.42 -31.01 37.7 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.615 1.098 . . . . 0.0 112.943 173.202 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -75.44 -36.31 60.75 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 167.938 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 110.97 0.71 28.6 Favored Glycine 0 N--CA 1.436 -1.34 0 C-N-CA 128.72 3.057 . . . . 0.0 113.916 177.08 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.7 t -77.29 144.03 12.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-N 118.627 1.214 . . . . 0.0 110.605 177.307 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -160.1 50.8 0.31 Allowed 'General case' 0 CA--C 1.553 1.067 0 CA-C-O 122.545 1.164 . . . . 0.0 113.169 170.3 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.22 -145.52 4.64 Favored Glycine 0 CA--C 1.541 1.666 0 C-N-CA 126.493 1.997 . . . . 0.0 116.482 177.767 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -64.66 94.08 0.12 Allowed 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.926 1.69 . . . . 0.0 112.345 -177.507 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 79.4 m95 -64.81 108.25 1.69 Allowed 'General case' 0 N--CA 1.466 0.326 0 O-C-N 120.166 -1.584 . . . . 0.0 109.907 178.052 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -123.53 163.42 20.98 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 126.675 1.99 . . . . 0.0 110.716 -172.41 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -154.21 166.55 32.76 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.207 1.003 . . . . 0.0 112.069 -178.939 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -144.0 162.51 36.02 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.445 1.898 . . . . 0.0 110.592 -177.44 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -130.18 -2.36 4.51 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 179.319 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.54 -28.71 37.23 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 121.621 -0.674 . . . . 0.0 110.512 170.063 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.7 p -135.4 -12.76 2.08 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 125.678 1.591 . . . . 0.0 113.212 -172.173 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? 63.82 46.72 3.84 Favored 'General case' 0 C--N 1.347 0.469 0 C-N-CA 125.821 1.648 . . . . 0.0 112.518 178.03 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 92.7 m -117.55 111.7 19.58 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.863 1.265 . . . . 0.0 111.863 -172.77 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -65.52 162.04 18.9 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.198 0.999 . . . . 0.0 110.669 168.463 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 22.1 m -147.75 159.68 43.54 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.298 1.439 . . . . 0.0 108.118 169.84 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.273 9.5 p -149.13 56.55 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 125.325 1.45 . . . . 0.0 111.815 -178.23 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.4 m -63.98 111.59 2.58 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.835 1.254 . . . . 0.0 112.62 -177.653 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -75.64 63.1 1.53 Allowed 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.225 1.41 . . . . 0.0 112.48 176.346 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 44.92 65.67 1.72 Allowed Glycine 0 CA--C 1.531 1.049 0 C-N-CA 125.985 1.755 . . . . 0.0 113.988 176.088 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.4 t -63.74 26.61 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 128.134 2.574 . . . . 0.0 117.227 -169.743 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 22.8 m80 -71.59 38.28 0.06 Allowed 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 128.061 2.544 . . . . 0.0 112.934 171.593 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -62.65 94.68 0.07 Allowed 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.437 1.495 . . . . 0.0 111.966 -175.002 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -57.46 147.26 26.97 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.905 0.882 . . . . 0.0 111.745 173.409 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -159.63 156.23 27.54 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.366 1.866 . . . . 0.0 110.039 173.527 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -156.57 174.0 16.1 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.783 0.833 . . . . 0.0 111.537 171.686 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -136.53 159.99 40.13 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.136 1.374 . . . . 0.0 110.626 171.123 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 90.6 mmm -144.57 160.52 41.01 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.8 1.64 . . . . 0.0 110.821 -179.452 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -146.72 173.54 12.27 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.652 1.581 . . . . 0.0 111.71 179.372 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -137.02 179.91 6.09 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.95 1.7 . . . . 0.0 112.299 176.712 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -138.73 175.7 9.33 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.605 1.962 . . . . 0.0 111.906 -173.333 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.3 m -149.78 47.2 0.94 Allowed 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.986 1.314 . . . . 0.0 110.785 169.643 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 54.0 t -145.56 -57.06 0.02 OUTLIER Pre-proline 0 CA--C 1.55 0.967 0 N-CA-C 114.751 1.389 . . . . 0.0 114.751 -176.786 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -70.58 31.58 0.21 Allowed 'Trans proline' 0 CA--C 1.553 1.462 0 C-N-CA 124.406 3.404 . . . . 0.0 114.432 171.299 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 96.0 mt -137.78 125.45 22.3 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 127.186 2.194 . . . . 0.0 109.746 -179.019 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -77.2 141.36 40.12 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.223 0.609 . . . . 0.0 112.567 -177.403 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 56.3 m -69.19 -19.3 63.98 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.744 1.218 . . . . 0.0 114.186 178.417 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 44.5 tptt -86.44 126.5 34.45 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.379 1.472 . . . . 0.0 107.496 168.795 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -134.72 139.36 47.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 CA-C-O 123.017 1.389 . . . . 0.0 110.96 -172.682 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.458 ' CZ ' H5'' ' B' ' 151' ' ' ' C' . 13.1 t80 -83.87 152.18 24.7 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 127.732 2.413 . . . . 0.0 110.283 176.674 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.498 HG13 ' HB3' ' A' ' 113' ' ' ALA . 0.8 OUTLIER -152.9 149.24 13.58 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.181 0 N-CA-C 115.0 1.481 . . . . 0.0 115.0 176.624 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -147.36 142.51 10.31 Favored Glycine 0 CA--C 1.535 1.337 0 C-N-CA 125.871 1.7 . . . . 0.0 110.537 168.049 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -150.61 162.21 41.1 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 118.168 0.984 . . . . 0.0 113.206 -172.729 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 51.3 tp 56.31 -62.21 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 130.078 3.351 . . . . 0.0 117.149 170.189 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 173.91 -48.37 0.15 Allowed Glycine 0 N--CA 1.472 1.087 0 C-N-CA 126.63 2.062 . . . . 0.0 110.31 -179.034 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -150.73 146.35 26.37 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.126 1.77 . . . . 0.0 109.392 168.512 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -164.07 116.6 1.39 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.709 1.203 . . . . 0.0 111.017 -178.188 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -132.94 34.88 2.39 Favored Glycine 0 CA--C 1.531 1.076 0 C-N-CA 124.706 1.146 . . . . 0.0 111.921 169.813 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -122.92 -9.31 8.29 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.209 1.404 . . . . 0.0 112.691 -173.858 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.342 0.0 OUTLIER 50.29 1.43 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 119.399 3.111 . . . . 0.0 119.399 173.237 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 4.4 m -58.78 -52.28 66.39 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.205 1.402 . . . . 0.0 111.521 172.723 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.06 -55.57 33.29 Favored 'General case' 0 C--N 1.34 0.185 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 178.378 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.7 mt -48.45 -59.81 3.18 Favored 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 124.706 1.202 . . . . 0.0 110.492 -178.466 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -59.61 -42.52 92.8 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 123.678 0.791 . . . . 0.0 112.099 -171.114 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.69 -35.41 65.17 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 118.56 -0.733 . . . . 0.0 112.712 174.058 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -67.54 -44.73 77.63 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 119.483 1.038 . . . . 0.0 111.629 -176.886 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.633 ' CE2' HG11 ' A' ' 115' ' ' VAL . 17.5 m-85 -69.12 -61.68 1.69 Allowed 'General case' 0 CA--C 1.509 -0.622 0 C-N-CA 125.886 1.674 . . . . 0.0 111.895 173.821 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -64.52 -13.1 54.42 Favored Glycine 0 CA--C 1.547 2.072 0 CA-C-O 118.964 -0.909 . . . . 0.0 114.445 -176.161 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -56.82 -49.88 74.06 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 119.175 1.487 . . . . 0.0 110.977 167.046 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -63.74 -46.91 83.2 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.706 0.802 . . . . 0.0 109.627 172.546 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 176.21 154.57 11.8 Favored Glycine 0 CA--C 1.534 1.261 0 N-CA-C 115.427 0.931 . . . . 0.0 115.427 169.201 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -48.43 124.53 10.83 Favored 'Trans proline' 0 CA--C 1.535 0.537 0 C-N-CA 124.371 3.381 . . . . 0.0 115.903 -169.646 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 33.6 mt -67.1 152.75 45.2 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.706 1.603 . . . . 0.0 112.474 169.932 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -79.41 -39.18 33.06 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 166.632 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.2 p -173.8 168.54 4.29 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 126.136 1.774 . . . . 0.0 113.078 168.989 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 2.7 p -128.04 145.18 35.63 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 126.019 1.728 . . . . 0.0 110.17 171.22 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 87.9 t90 -133.97 143.26 48.06 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 126.66 1.984 . . . . 0.0 110.232 -179.497 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 12.5 m -143.47 152.72 16.43 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 124.23 1.012 . . . . 0.0 109.491 174.96 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -68.56 152.57 45.19 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-O 122.521 1.153 . . . . 0.0 114.049 -174.323 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 25.3 ttp-105 -52.2 -29.24 21.56 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 129.494 3.117 . . . . 0.0 116.906 -170.005 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -135.43 129.66 18.73 Favored Pre-proline 0 CA--C 1.547 0.828 0 CA-C-O 116.475 -1.726 . . . . 0.0 109.524 -172.739 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_exo -22.63 84.03 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 1 C-N-CA 127.929 5.753 . . . . 0.0 117.003 -169.454 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -92.94 171.66 2.17 Favored 'Trans proline' 0 N--CA 1.457 -0.65 0 C-N-CA 123.628 2.885 . . . . 0.0 112.996 -168.898 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -97.11 12.44 65.44 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 124.638 1.113 . . . . 0.0 113.979 175.749 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -162.29 -178.5 6.37 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 125.542 1.537 . . . . 0.0 112.59 -170.422 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.498 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -171.14 175.94 4.13 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 126.186 1.794 . . . . 0.0 111.902 -169.121 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -144.5 150.02 36.89 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.175 -0.953 . . . . 0.0 113.033 173.414 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.633 HG11 ' CE2' ' A' ' 94' ' ' PHE . 29.7 m -144.71 168.42 9.74 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 N-CA-C 115.156 1.539 . . . . 0.0 115.156 -178.975 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -146.96 130.61 16.9 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.233 1.413 . . . . 0.0 110.975 177.184 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.401 ' CZ ' ' HB3' ' A' ' 94' ' ' PHE . 83.8 m-85 -104.31 -20.85 13.63 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.05 1.34 . . . . 0.0 113.365 175.331 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 57.28 -13.51 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 128.103 2.561 . . . . 0.0 117.042 -169.757 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -100.42 132.28 22.7 Favored Pre-proline 0 CA--C 1.547 0.856 0 C-N-CA 125.732 1.613 . . . . 0.0 110.125 169.795 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -77.58 -24.64 8.76 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 122.342 2.028 . . . . 0.0 114.329 -173.145 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.61 -37.6 30.87 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 121.019 1.736 . . . . 0.0 111.156 175.883 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -55.36 -53.02 61.44 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 123.137 0.575 . . . . 0.0 109.554 172.018 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.92 -41.0 95.92 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 118.395 -0.812 . . . . 0.0 112.785 176.263 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -58.83 -45.63 89.55 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 120.614 1.552 . . . . 0.0 112.947 177.762 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -64.9 -39.45 93.55 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-O 121.885 0.85 . . . . 0.0 110.816 175.2 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -80.36 8.22 8.0 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.465 1.906 . . . . 0.0 114.52 177.232 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 13.0 t -123.09 -24.02 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 125.96 1.704 . . . . 0.0 111.248 173.187 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.79 -1.13 12.12 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 116.158 1.91 . . . . 0.0 116.158 -176.145 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -126.76 -34.67 2.38 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.966 0.907 . . . . 0.0 110.819 168.985 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.43 ' CD2' ' CD1' ' A' ' 94' ' ' PHE . 13.6 tp -70.53 14.88 0.11 Allowed 'General case' 0 CA--C 1.557 1.214 0 C-N-CA 126.116 1.766 . . . . 0.0 114.372 170.466 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -130.88 139.62 50.13 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 120.026 -1.671 . . . . 0.0 112.59 -169.8 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 68.93 -19.64 0.42 Allowed Glycine 0 CA--C 1.541 1.662 0 C-N-CA 127.351 2.405 . . . . 0.0 118.166 175.077 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . 0.279 2.0 ppt_? -89.3 -34.09 16.7 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 118.994 2.961 . . . . 0.0 118.994 -168.287 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.443 ' H ' HG12 ' A' ' 140' ' ' VAL . 2.5 m 145.54 152.28 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 131.33 3.852 . . . . 0.0 109.437 -177.505 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 135' ' ' LEU 0.258 13.4 tp -130.63 -96.02 0.36 Allowed 'General case' 0 N--CA 1.486 1.342 0 CA-C-N 119.958 1.254 . . . . 0.0 112.949 169.011 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 36.4 t -56.96 -39.17 74.08 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-N 121.339 1.881 . . . . 0.0 111.744 172.297 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 162.55 31.4 0.02 OUTLIER Glycine 0 CA--C 1.535 1.284 0 N-CA-C 115.387 0.915 . . . . 0.0 115.387 172.138 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 19.9 t -160.9 -161.72 0.86 Allowed 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 105.372 -2.084 . . . . 0.0 105.372 -176.224 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 15.0 ptt180 -41.43 141.79 0.67 Allowed 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.206 1.402 . . . . 0.0 114.688 179.811 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.443 HG12 ' H ' ' A' ' 134' ' ' THR . 5.1 p -141.22 132.09 27.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 C-N-CA 125.521 1.528 . . . . 0.0 107.006 166.607 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.61 104.07 3.58 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 -172.281 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 99.1 t -137.04 129.38 43.79 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 123.707 0.803 . . . . 0.0 109.805 -168.001 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -147.65 150.53 34.55 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 119.505 1.048 . . . . 0.0 111.68 -171.317 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.06 152.97 43.51 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 120.264 1.393 . . . . 0.0 111.466 172.76 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 67.9 m -61.96 99.71 0.13 Allowed 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 114.795 1.406 . . . . 0.0 114.795 -169.496 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -93.21 48.14 1.3 Allowed 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 126.109 1.764 . . . . 0.0 107.514 168.718 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -167.17 -133.89 1.61 Allowed Glycine 0 CA--C 1.535 1.329 0 C-N-CA 127.335 2.397 . . . . 0.0 110.703 -169.466 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -93.64 170.54 9.5 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.48 1.112 . . . . 0.0 112.698 -178.936 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -152.3 158.86 43.37 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.13 0.972 . . . . 0.0 113.294 170.29 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.163 0 C-N-CA 128.235 2.614 . . . . 0.0 110.162 -176.539 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 151' ' ' ' C' . . . . . 0.458 H5'' ' CZ ' ' A' ' 77' ' ' TYR . . . . . . . . 0 C5'--C4' 1.551 3.139 1 C3'-C2'-C1' 105.521 4.468 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 152' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.521 1 P-O3'-C3' 124.576 4.064 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.501 2 O5'-C5'-C4' 119.213 6.438 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 154' ' ' ' C' . . . . . 0.429 H5'' ' C6 ' ' B' ' 154' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.547 2.811 2 O4'-C1'-N19 113.126 4.926 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.2 mpp? . . . . . 0 N--CA 1.485 1.298 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -81.16 144.43 31.65 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 120.727 -1.233 . . . . 0.0 111.933 177.079 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.431 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 86.4 m-85 -126.0 155.04 42.06 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 127.698 2.399 . . . . 0.0 109.04 175.98 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -107.14 161.76 14.47 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.925 1.29 . . . . 0.0 111.461 -179.666 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.691 HD22 ' HB3' ' A' ' 30' ' ' PHE . 17.5 tp -142.47 140.55 31.93 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 126.746 2.018 . . . . 0.0 110.56 173.045 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.6 mp -120.9 113.92 41.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 125.241 1.416 . . . . 0.0 110.47 174.851 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.402 ' HA ' HG13 ' A' ' 54' ' ' VAL . 3.6 mp -86.85 67.75 9.91 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 127.721 2.408 . . . . 0.0 109.215 178.55 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 -63.47 56.15 0.02 OUTLIER 'General case' 0 CA--C 1.561 1.4 0 C-N-CA 126.563 1.945 . . . . 0.0 114.313 -179.45 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -94.75 133.92 11.77 Favored Glycine 0 N--CA 1.469 0.871 0 O-C-N 119.615 -1.928 . . . . 0.0 115.047 -179.667 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -31.03 -49.22 0.13 Allowed 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 129.049 2.939 . . . . 0.0 118.253 -171.412 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.7 p -127.31 5.75 6.35 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.323 1.449 . . . . 0.0 113.598 -169.348 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -143.64 -2.08 0.97 Allowed 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 115.358 1.614 . . . . 0.0 115.358 -171.342 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.4 148.29 0.09 Allowed 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 117.243 2.312 . . . . 0.0 117.243 -168.758 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -168.87 -157.42 11.52 Favored Glycine 0 CA--C 1.527 0.83 0 N-CA-C 116.661 1.424 . . . . 0.0 116.661 169.679 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -143.49 162.67 35.2 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.082 1.353 . . . . 0.0 111.716 -174.202 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.8 t -158.13 -177.55 6.64 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.469 1.508 . . . . 0.0 110.551 169.758 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 72.4 p -142.39 168.22 20.26 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 125.658 1.583 . . . . 0.0 110.503 173.382 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.6 HG21 ' CG1' ' A' ' 29' ' ' VAL . 5.2 t -153.36 149.37 27.76 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.336 1.054 . . . . 0.0 110.99 175.81 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.6 tp10 -78.51 118.98 21.16 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 167.614 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -138.95 176.05 9.03 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.002 1.321 . . . . 0.0 113.45 177.723 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 62.1 t -79.33 -48.0 21.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 O-C-N 121.2 -0.938 . . . . 0.0 110.25 169.19 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.431 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 5.2 t70 178.47 -157.3 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 131.17 3.788 . . . . 0.0 105.973 178.888 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.79 -20.26 1.22 Allowed 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 121.189 1.813 . . . . 0.0 114.306 169.821 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.75 -8.34 20.65 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.502 1.121 . . . . 0.0 113.685 172.654 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 36.9 m -140.56 -35.41 0.49 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.112 1.765 . . . . 0.0 112.441 177.341 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.403 ' HA ' HG12 ' A' ' 29' ' ' VAL . . . -68.6 -36.87 79.26 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.416 1.486 . . . . 0.0 111.052 176.407 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -76.74 6.97 5.15 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 114.527 1.306 . . . . 0.0 114.527 179.376 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.19 13.96 3.87 Favored 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 124.972 1.309 . . . . 0.0 111.997 174.957 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.6 ' CG1' HG21 ' A' ' 18' ' ' THR . 3.2 p -120.09 -42.31 2.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 124.292 1.037 . . . . 0.0 112.545 179.745 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.691 ' HB3' HD22 ' A' ' 5' ' ' LEU . 22.1 m-85 -64.57 -27.54 69.02 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.15 0.58 . . . . 0.0 112.053 169.7 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -62.13 -3.46 1.29 Allowed 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.435 1.494 . . . . 0.0 115.029 176.034 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -107.0 -52.68 2.73 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.114 0.966 . . . . 0.0 109.093 169.645 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -61.66 -44.87 96.14 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 123.254 0.622 . . . . 0.0 112.303 -176.09 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.31 -52.9 63.5 Favored 'General case' 0 N--CA 1.456 -0.171 0 O-C-N 121.464 -0.772 . . . . 0.0 110.979 175.522 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.485 HD22 ' CE1' ' A' ' 62' ' ' HIS . 5.1 m120 -67.37 -18.79 65.28 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.081 1.752 . . . . 0.0 112.717 -177.12 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -84.43 -32.3 24.15 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.943 1.297 . . . . 0.0 112.055 173.967 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 66.4 m-80 -72.9 -33.82 66.25 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 168.037 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 122.35 -5.95 10.06 Favored Glycine 0 N--CA 1.439 -1.136 0 C-N-CA 128.612 3.006 . . . . 0.0 113.894 171.943 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.408 HG11 HG13 ' A' ' 54' ' ' VAL . 37.6 t -69.1 148.48 11.59 Favored 'Isoleucine or valine' 0 C--N 1.342 0.251 0 CA-C-N 118.7 1.25 . . . . 0.0 112.005 175.364 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -163.43 34.35 0.09 Allowed 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 114.577 -1.192 . . . . 0.0 111.632 173.59 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -57.5 -159.17 0.02 OUTLIER Glycine 0 CA--C 1.541 1.704 0 C-N-CA 127.461 2.458 . . . . 0.0 117.976 179.732 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -65.33 88.62 0.08 Allowed 'General case' 0 CA--C 1.547 0.853 0 O-C-N 121.23 -1.159 . . . . 0.0 111.648 172.664 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 84.2 m95 -59.25 117.42 4.75 Favored 'General case' 0 C--O 1.235 0.294 0 O-C-N 120.492 -1.38 . . . . 0.0 110.024 179.926 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.01 163.07 28.4 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 126.689 1.996 . . . . 0.0 110.608 -171.848 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -153.04 164.7 37.51 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.39 1.076 . . . . 0.0 111.408 179.624 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -141.31 152.6 44.58 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.639 1.975 . . . . 0.0 110.0 -174.302 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.452 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -124.64 4.53 8.22 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 114.785 1.402 . . . . 0.0 114.785 -177.338 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -92.09 -29.87 16.31 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.862 1.265 . . . . 0.0 110.573 169.547 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -130.37 -7.83 4.22 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 -176.206 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.452 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 1.6 mmpt? 61.03 45.77 8.95 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.063 1.745 . . . . 0.0 112.681 179.232 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 63.5 m -120.47 111.84 18.22 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.912 0.885 . . . . 0.0 111.368 -172.507 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -63.9 158.13 22.99 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 122.068 0.937 . . . . 0.0 111.104 169.003 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 27.0 m -145.13 160.61 41.15 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 125.334 1.454 . . . . 0.0 107.496 170.406 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.408 HG13 HG11 ' A' ' 39' ' ' VAL 0.252 7.2 p -156.23 70.14 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 CA-C-O 122.728 1.251 . . . . 0.0 109.662 -177.071 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 62.9 m -68.64 112.8 5.63 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.569 1.147 . . . . 0.0 111.274 -175.35 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -113.74 85.88 2.29 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 127.367 2.267 . . . . 0.0 111.703 -168.326 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -158.71 -42.84 0.02 OUTLIER Glycine 0 CA--C 1.536 1.391 0 C-N-CA 128.286 2.851 . . . . 0.0 109.021 172.188 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.1 p -62.79 -44.16 96.91 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 127.627 2.371 . . . . 0.0 112.384 168.679 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -124.26 61.65 1.12 Allowed 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 127.447 2.299 . . . . 0.0 108.757 170.563 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.29 145.08 33.23 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.283 0.846 . . . . 0.0 113.283 179.1 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 37.5 m80 61.9 143.27 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 130.251 3.42 . . . . 0.0 117.256 176.739 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.485 ' CE1' HD22 ' A' ' 35' ' ' ASN . 9.0 t60 -67.52 -52.9 33.52 Favored 'General case' 0 N--CA 1.466 0.355 0 O-C-N 121.422 -0.799 . . . . 0.0 111.651 171.341 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -173.08 -66.75 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.052 1.341 . . . . 0.0 110.869 172.55 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 58.81 -46.08 0.06 Allowed 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 130.178 3.391 . . . . 0.0 116.844 -179.917 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 9.9 tpt -161.74 -43.71 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 126.43 1.892 . . . . 0.0 111.282 174.741 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 45.0 t-80 -155.83 125.62 6.45 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.301 1.84 . . . . 0.0 108.596 178.915 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 33.2 ttm105 -79.75 80.48 6.14 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 121.432 -0.793 . . . . 0.0 112.813 -172.822 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -134.82 -177.67 4.73 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.688 1.595 . . . . 0.0 111.645 169.84 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.2 m -58.39 -24.65 60.61 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 114.576 1.324 . . . . 0.0 114.576 -178.815 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 37.5 t -148.85 87.95 5.32 Favored Pre-proline 0 CA--C 1.554 1.101 0 C-N-CA 125.807 1.643 . . . . 0.0 110.05 176.996 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -50.01 -2.99 0.05 OUTLIER 'Trans proline' 0 CA--C 1.543 0.972 1 C-N-CA 127.275 5.317 . . . . 0.0 119.861 -172.917 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 24.1 tp -70.95 54.48 0.17 Allowed 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 126.724 2.01 . . . . 0.0 112.171 171.479 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -63.28 156.3 25.99 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.669 1.588 . . . . 0.0 113.452 -178.188 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 18.8 t -118.82 -9.11 10.21 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.138 1.775 . . . . 0.0 112.685 -178.996 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.497 ' HZ3' ' N6 ' ' B' ' 152' ' ' ' A' . 10.0 mtmp? -62.09 147.81 46.24 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 122.825 1.297 . . . . 0.0 111.739 174.718 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 74.1 t -119.2 126.81 75.69 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 C-N-CA 128.177 2.591 . . . . 0.0 108.426 -169.531 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -79.03 152.18 31.06 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 123.444 0.698 . . . . 0.0 110.134 176.68 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.467 HG13 ' HB3' ' A' ' 113' ' ' ALA . 0.2 OUTLIER -154.17 154.21 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 122.192 0.996 . . . . 0.0 112.862 170.125 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -153.56 138.12 6.12 Favored Glycine 0 CA--C 1.53 0.995 0 C-N-CA 126.474 1.987 . . . . 0.0 109.989 168.859 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.416 ' HA ' HG12 ' A' ' 140' ' ' VAL . 47.2 t30 -130.47 141.6 50.51 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 118.5 1.15 . . . . 0.0 111.859 -169.316 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.7 tt 56.93 -52.31 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 130.784 3.634 . . . . 0.0 114.379 -172.442 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 172.14 -52.75 0.17 Allowed Glycine 0 CA--C 1.53 0.986 0 C-N-CA 128.976 3.179 . . . . 0.0 108.619 172.364 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -144.66 84.53 1.74 Allowed 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.524 1.53 . . . . 0.0 111.441 173.683 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -130.26 -5.08 4.34 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 116.406 2.002 . . . . 0.0 116.406 173.551 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 7.75 75.91 0.01 OUTLIER Glycine 0 N--CA 1.482 1.744 0 C-N-CA 128.749 3.071 . . . . 0.0 117.801 171.611 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -143.01 129.9 20.53 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.934 1.294 . . . . 0.0 110.028 176.596 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.94 -30.19 69.43 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 115.451 1.648 . . . . 0.0 115.451 -171.762 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 7.9 m -58.08 -52.39 65.73 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 119.869 1.213 . . . . 0.0 112.36 -171.782 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.93 -58.98 6.14 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 -177.641 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.9 pp -65.76 -32.65 74.31 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 118.91 -0.567 . . . . 0.0 111.432 -173.109 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -57.33 -49.35 76.41 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 119.528 1.058 . . . . 0.0 111.948 173.821 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.09 -33.61 73.8 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 119.105 0.866 . . . . 0.0 112.272 173.839 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.32 -38.31 89.77 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.54 0.736 . . . . 0.0 112.203 -179.289 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.498 ' CD2' HG11 ' A' ' 115' ' ' VAL . 14.9 m-85 -76.56 -62.35 1.66 Allowed 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 125.36 1.464 . . . . 0.0 111.412 175.949 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -52.2 -22.62 10.43 Favored Glycine 0 CA--C 1.547 2.081 0 N-CA-C 115.692 1.037 . . . . 0.0 115.692 177.287 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -51.83 -51.61 55.29 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.314 1.445 . . . . 0.0 112.956 168.29 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -69.89 -43.85 70.94 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.951 0.901 . . . . 0.0 111.18 179.482 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -170.95 162.74 35.71 Favored Glycine 0 N--CA 1.478 1.494 0 CA-C-O 118.343 -1.254 . . . . 0.0 113.259 175.248 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -67.35 132.71 28.22 Favored 'Trans proline' 0 CA--C 1.534 0.498 0 CA-C-N 121.552 2.676 . . . . 0.0 113.794 -169.534 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.402 HD13 ' CG2' ' A' ' 103' ' ' VAL . 16.5 mt -69.49 166.38 18.95 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.057 1.743 . . . . 0.0 113.051 175.089 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -130.15 -23.74 2.68 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 127.093 2.157 . . . . 0.0 112.495 175.596 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 11.2 t -157.21 151.65 25.21 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.05 1.34 . . . . 0.0 111.015 169.474 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.402 ' CG2' HD13 ' A' ' 100' ' ' LEU . 80.1 t -143.91 132.13 18.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 125.341 1.456 . . . . 0.0 109.302 173.395 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 53.7 t90 -144.56 153.17 41.54 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 126.598 1.959 . . . . 0.0 111.303 178.741 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.427 ' HA ' ' HA ' ' A' ' 113' ' ' ALA . 2.9 m -139.16 149.57 23.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 O-C-N 121.045 -1.034 . . . . 0.0 112.108 169.934 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -81.11 78.28 7.93 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.656 0.782 . . . . 0.0 112.956 -173.38 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.55 -45.63 0.38 Allowed 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 129.666 3.186 . . . . 0.0 116.548 174.466 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . 0.25 28.9 t-20 143.23 -59.82 0.0 OUTLIER Pre-proline 0 CA--C 1.549 0.914 1 C-N-CA 132.228 4.211 . . . . 0.0 111.974 173.965 . . . . . . . . 3 2 . 1 . 028 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_endo -57.39 -41.12 75.88 Favored 'Trans proline' 0 CA--C 1.548 1.194 0 C-N-CA 122.619 2.213 . . . . 0.0 115.852 -179.41 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_exo -52.73 -18.67 9.26 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 124.119 3.213 . . . . 0.0 115.912 169.52 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 81.71 -40.39 2.62 Favored Glycine 0 CA--C 1.527 0.828 0 C-N-CA 125.661 1.601 . . . . 0.0 115.969 169.515 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -77.39 171.45 14.86 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-O 123.055 1.407 . . . . 0.0 113.945 -179.375 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.467 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -153.63 173.41 15.82 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 127.906 2.483 . . . . 0.0 112.625 -172.994 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -145.0 147.71 32.94 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.705 0.802 . . . . 0.0 112.579 170.598 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.498 HG11 ' CD2' ' A' ' 94' ' ' PHE . 14.4 m -137.18 179.63 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 C-N-CA 124.626 1.171 . . . . 0.0 112.269 176.468 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -152.69 150.49 29.51 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.415 1.486 . . . . 0.0 109.078 169.854 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.447 ' CZ ' ' HB3' ' A' ' 94' ' ' PHE . 47.1 m-85 -117.46 166.64 12.1 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.42 1.088 . . . . 0.0 112.93 -176.372 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -53.31 -35.08 59.77 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.831 1.252 . . . . 0.0 112.469 172.078 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -151.98 135.4 9.43 Favored Pre-proline 0 CA--C 1.549 0.936 0 C-N-CA 124.977 1.311 . . . . 0.0 110.421 -171.637 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -47.71 -29.08 10.38 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 125.042 3.828 . . . . 0.0 115.336 170.21 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 11.2 ptt-85 -54.57 -38.98 67.32 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 119.702 1.137 . . . . 0.0 111.736 171.52 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -83.75 -41.72 17.32 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -172.562 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.97 -45.63 82.75 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.436 0.694 . . . . 0.0 112.184 169.994 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.31 -44.48 87.76 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.984 0.914 . . . . 0.0 112.795 178.984 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -74.15 -31.58 62.78 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.43 -0.794 . . . . 0.0 112.5 179.364 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.43 -55.94 25.72 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 169.246 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.416 HG22 HG12 ' A' ' 142' ' ' VAL . 35.3 t -48.26 -46.5 13.73 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 124.645 1.178 . . . . 0.0 112.053 171.552 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -51.21 -43.45 61.4 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.471 1.509 . . . . 0.0 112.597 179.429 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -113.65 2.9 15.42 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 115.641 1.719 . . . . 0.0 115.641 -176.946 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.45 ' HB3' HG21 ' A' ' 142' ' ' VAL . 42.7 mt -99.25 -38.3 8.93 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.448 1.499 . . . . 0.0 114.173 173.828 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -64.89 149.63 49.23 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 115.407 1.632 . . . . 0.0 115.407 -168.911 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 69.86 -56.49 0.76 Allowed Glycine 0 CA--C 1.535 1.339 0 C-N-CA 128.193 2.806 . . . . 0.0 118.278 169.218 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 46.6 mtm180 -62.13 -69.4 0.25 Allowed 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.167 1.787 . . . . 0.0 115.656 -167.794 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.2 m -175.6 147.65 0.84 Allowed 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 126.669 1.988 . . . . 0.0 109.008 -170.938 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 2.4 tt -140.67 -62.9 0.48 Allowed 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.216 1.006 . . . . 0.0 109.668 169.46 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 4.0 t -70.0 -44.08 70.09 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 119.199 0.909 . . . . 0.0 111.562 169.835 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 154.8 14.05 0.06 OUTLIER Glycine 0 CA--C 1.538 1.478 0 N-CA-C 116.434 1.334 . . . . 0.0 116.434 -176.998 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 8.9 t -150.45 174.12 13.28 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.744 1.618 . . . . 0.0 107.817 173.836 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.22 130.49 47.22 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.261 1.424 . . . . 0.0 111.514 -169.846 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.416 HG12 ' HA ' ' A' ' 80' ' ' ASN . 22.6 m -117.3 179.06 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 126.814 2.046 . . . . 0.0 112.543 -173.984 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -140.11 133.33 29.71 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 127.763 2.425 . . . . 0.0 108.226 173.419 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.45 HG21 ' HB3' ' A' ' 130' ' ' LEU . 58.4 t -147.47 122.47 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 169.212 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -148.66 -162.15 1.49 Allowed 'General case' 0 N--CA 1.476 0.831 0 O-C-N 121.221 -0.924 . . . . 0.0 111.595 -169.977 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 10.3 tp -118.37 146.3 44.5 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.156 1.383 . . . . 0.0 109.686 174.356 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 19.1 m -41.17 129.16 2.89 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.338 1.455 . . . . 0.0 114.853 -177.867 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -148.65 -9.82 0.35 Allowed 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 177.565 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -121.51 -169.42 13.66 Favored Glycine 0 CA--C 1.532 1.15 0 N-CA-C 118.046 1.978 . . . . 0.0 118.046 -168.946 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -167.81 -50.96 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 127.623 2.369 . . . . 0.0 110.939 -169.609 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 3.3 mmtm -140.85 18.42 2.32 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 129.098 2.959 . . . . 0.0 113.78 169.681 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.188 0 C-N-CA 126.345 1.858 . . . . 0.0 114.015 -175.29 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 151' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.026 2 O4'-C1'-N19 113.595 5.395 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 152' ' ' ' A' . . . . . 0.497 ' N6 ' ' HZ3' ' A' ' 75' ' ' LYS . . . . . . . . 0 O4'--C4' 1.419 -2.871 1 P-O3'-C3' 126.326 5.521 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 028 nuclear build full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.556 3.572 4 N19-C1'-C2' 125.828 7.768 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.557 3.645 4 O4'-C1'-N19 114.281 6.081 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 . . . . . 0 CA--C 1.546 0.8 0 CA-C-O 120.957 0.408 . . . . 0.0 111.929 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.418 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 96.9 m-85 -130.5 158.27 40.38 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 127.4 2.28 . . . . 0.0 109.089 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -112.26 162.65 15.27 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.158 1.383 . . . . 0.0 111.672 -176.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.501 HD11 ' HG ' ' A' ' 7' ' ' LEU . 1.5 tm? -146.8 136.77 23.36 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 126.278 1.831 . . . . 0.0 110.86 174.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mp -116.05 131.76 67.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 126.5 1.92 . . . . 0.0 110.746 173.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.501 ' HG ' HD11 ' A' ' 5' ' ' LEU . 2.8 mp -107.34 55.71 0.65 Allowed 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 128.183 2.593 . . . . 0.0 110.918 -176.179 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 . . . . . 0 CA--C 1.555 1.167 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 -178.94 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.467 0.409 0 N-CA-C 117.283 2.327 . . . . 0.0 117.283 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -170.11 -155.49 10.25 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 117.484 1.754 . . . . 0.0 117.484 169.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -156.44 158.78 37.88 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 126.481 1.912 . . . . 0.0 112.133 177.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.0 t -156.73 -175.49 5.46 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.908 1.683 . . . . 0.0 110.092 177.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 61.9 p -142.76 170.72 15.17 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 125.804 1.642 . . . . 0.0 110.739 176.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.8 t -157.23 152.73 26.52 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.814 0.846 . . . . 0.0 111.584 172.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.7 tp10 -76.29 122.21 24.08 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 107.0 -1.481 . . . . 0.0 107.0 166.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.22 178.13 7.41 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.461 1.504 . . . . 0.0 112.02 174.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.9 p -84.44 -39.91 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 O-C-N 120.989 -1.07 . . . . 0.0 110.807 169.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.418 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 3.2 p30 178.19 -163.69 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 129.86 3.264 . . . . 0.0 108.054 -179.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.32 -27.19 0.97 Allowed 'General case' 0 CA--C 1.553 1.091 0 N-CA-C 114.093 1.145 . . . . 0.0 114.093 170.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.77 -5.41 20.52 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.688 1.595 . . . . 0.0 113.88 178.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.9 m -134.09 -35.38 0.95 Allowed 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 125.079 1.352 . . . . 0.0 112.277 173.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.26 -37.99 89.44 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.775 0.83 . . . . 0.0 110.861 175.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -74.63 4.9 5.43 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 178.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.44 18.53 3.97 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 120.298 -1.501 . . . . 0.0 111.788 174.462 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.7 t -119.59 -52.14 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 125.344 1.457 . . . . 0.0 110.01 177.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -61.4 -27.12 68.31 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 123.767 0.827 . . . . 0.0 113.171 176.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -55.76 -30.43 61.24 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.642 1.177 . . . . 0.0 112.975 175.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -81.16 -53.81 6.06 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.291 0.637 . . . . 0.0 109.932 177.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -59.92 -41.7 92.32 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.336 1.054 . . . . 0.0 112.372 -177.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.78 -49.45 77.67 Favored 'General case' 0 N--CA 1.452 -0.354 0 O-C-N 121.384 -0.823 . . . . 0.0 111.724 176.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -65.29 -22.24 66.82 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 174.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -77.44 -29.43 52.88 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.67 1.123 . . . . 0.0 112.626 174.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 -78.17 -41.57 34.28 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 168.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 125.67 -1.84 8.05 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 129.016 3.198 . . . . 0.0 114.556 171.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 41.3 t -73.61 146.0 10.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 CA-C-N 118.925 1.363 . . . . 0.0 110.865 176.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -161.61 53.71 0.25 Allowed 'General case' 0 CA--C 1.55 0.96 0 CA-C-O 121.78 0.8 . . . . 0.0 112.663 169.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.404 ' H ' HG22 ' A' ' 54' ' ' VAL . . . -92.08 -137.72 7.9 Favored Glycine 0 CA--C 1.541 1.672 0 C-N-CA 125.627 1.584 . . . . 0.0 115.451 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -69.86 93.68 0.77 Allowed 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.724 1.21 . . . . 0.0 113.002 -172.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 84.5 m95 -64.74 113.74 3.98 Favored 'General case' 0 C--O 1.235 0.315 0 O-C-N 120.158 -1.589 . . . . 0.0 110.7 178.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.88 163.67 25.83 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 125.982 1.713 . . . . 0.0 111.27 -172.213 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -147.21 147.01 30.03 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.389 1.475 . . . . 0.0 110.161 175.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -112.25 121.21 44.27 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 124.288 1.035 . . . . 0.0 108.93 171.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.7 0.59 42.68 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 115.343 1.609 . . . . 0.0 115.343 -173.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -111.98 -29.2 7.72 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.183 1.393 . . . . 0.0 112.607 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.2 t -113.65 3.35 15.6 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.74 0.816 . . . . 0.0 112.488 173.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? 54.65 40.43 31.88 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 126.076 1.75 . . . . 0.0 112.527 169.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.8 m -121.77 114.42 21.07 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 125.718 1.607 . . . . 0.0 109.167 -170.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -68.03 162.41 24.58 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 122.249 1.024 . . . . 0.0 111.271 169.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.7 m -145.67 157.77 43.92 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 124.713 1.205 . . . . 0.0 108.043 169.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.404 HG22 ' H ' ' A' ' 41' ' ' GLY . 9.1 p -147.67 72.83 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 126.273 1.829 . . . . 0.0 109.486 177.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.9 m . . . . . 0 N--CA 1.473 0.699 0 O-C-N 121.305 -0.872 . . . . 0.0 110.202 179.331 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.1 mppt? . . . . . 0 N--CA 1.475 0.803 0 CA-C-O 121.965 0.888 . . . . 0.0 111.805 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.61 ' HB ' HG13 ' A' ' 115' ' ' VAL . 14.4 t -138.68 158.28 30.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 126.685 1.994 . . . . 0.0 109.706 -169.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -122.88 144.61 49.1 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 128.123 2.569 . . . . 0.0 110.225 178.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.425 HG13 ' HB3' ' A' ' 113' ' ' ALA . 2.0 p -143.61 134.14 21.78 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-O 121.373 0.606 . . . . 0.0 110.739 169.297 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.944 0 N-CA-C 115.47 0.948 . . . . 0.0 115.47 173.648 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.253 19.0 pttp . . . . . 0 N--CA 1.483 1.191 0 N-CA-C 119.085 2.995 . . . . 0.0 119.085 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 22.1 m -50.09 -47.65 53.64 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 126.555 1.942 . . . . 0.0 113.946 -169.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.72 -57.62 9.4 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 -178.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.406 HD12 ' N ' ' A' ' 91' ' ' GLU . 3.8 pp -64.51 -32.36 73.96 Favored 'General case' 0 C--O 1.22 -0.476 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.335 -176.385 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.406 ' N ' HD12 ' A' ' 90' ' ' LEU . 36.7 tt0 -64.73 -48.63 73.93 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 125.521 1.529 . . . . 0.0 111.284 178.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.44 -31.96 70.6 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 118.536 -0.745 . . . . 0.0 112.378 172.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.09 -46.85 87.24 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 119.187 0.903 . . . . 0.0 111.464 175.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.648 ' CZ ' HG11 ' A' ' 115' ' ' VAL . 15.0 m-85 -62.95 -63.24 1.26 Allowed 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 125.038 1.335 . . . . 0.0 111.411 174.212 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -58.08 -20.25 41.58 Favored Glycine 0 CA--C 1.546 2.024 0 N-CA-C 115.917 1.127 . . . . 0.0 115.917 -179.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -57.69 -50.75 72.16 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 119.295 1.547 . . . . 0.0 112.976 169.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -63.17 -37.99 89.4 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 118.822 0.737 . . . . 0.0 110.07 174.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 174.74 160.84 23.49 Favored Glycine 0 N--CA 1.473 1.147 0 CA-C-O 118.577 -1.124 . . . . 0.0 114.625 168.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -54.22 127.67 26.77 Favored 'Trans proline' 0 CA--C 1.536 0.61 0 CA-C-N 121.133 2.466 . . . . 0.0 117.113 -169.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.418 ' HA ' ' HA ' ' A' ' 117' ' ' PHE . 21.3 mt -67.4 169.21 9.37 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.785 2.034 . . . . 0.0 113.243 169.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -123.78 -37.55 2.6 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.756 2.022 . . . . 0.0 111.25 169.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 9.0 t -154.6 157.26 37.95 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.73 1.212 . . . . 0.0 111.594 174.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 78.6 t -144.71 142.22 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 125.614 1.566 . . . . 0.0 108.829 176.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 81.5 t90 -138.77 145.01 39.67 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 125.703 1.601 . . . . 0.0 110.365 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 14.2 m -141.06 153.02 20.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 C-N-CA 124.416 1.087 . . . . 0.0 108.361 170.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.552 1.057 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -169.949 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.544 0.713 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.425 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -164.25 175.24 10.29 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.341 1.056 . . . . 0.0 112.801 -167.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -135.01 164.14 28.3 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-O 122.074 0.94 . . . . 0.0 112.835 175.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.648 HG11 ' CZ ' ' A' ' 94' ' ' PHE . 0.2 OUTLIER -153.91 155.45 6.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 124.502 1.121 . . . . 0.0 110.785 -169.198 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -143.28 128.57 18.83 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.569 1.548 . . . . 0.0 109.498 169.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.418 ' HA ' ' HA ' ' A' ' 100' ' ' LEU . 53.0 m-85 -97.58 173.56 7.08 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.212 1.005 . . . . 0.0 112.72 176.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -90.12 -55.0 3.78 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 120.977 -1.077 . . . . 0.0 112.491 176.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -87.5 130.72 46.31 Favored Pre-proline 0 CA--C 1.547 0.845 0 C-N-CA 124.4 1.08 . . . . 0.0 109.026 170.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -61.72 -22.16 73.77 Favored 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 121.889 1.726 . . . . 0.0 112.56 175.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.9 -27.04 62.58 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.597 1.159 . . . . 0.0 113.009 171.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -66.88 -46.9 73.52 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 119.683 1.129 . . . . 0.0 110.315 169.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.37 -44.96 89.07 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 122.752 0.421 . . . . 0.0 111.945 172.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.28 -49.39 77.22 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 118.645 0.657 . . . . 0.0 112.603 178.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.22 -42.91 99.42 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 118.78 0.718 . . . . 0.0 111.642 177.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.88 -55.33 34.31 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.254 0.622 . . . . 0.0 110.416 177.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 41.5 t -52.49 -41.02 35.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 124.733 1.213 . . . . 0.0 111.898 175.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.68 -20.56 61.92 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 114.968 1.47 . . . . 0.0 114.968 -179.358 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -127.75 16.2 6.92 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 115.343 1.608 . . . . 0.0 115.343 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 24.0 mt -112.09 -8.11 14.04 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.176 1.791 . . . . 0.0 113.94 172.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -93.17 151.53 19.78 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 117.19 2.292 . . . . 0.0 117.19 -168.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 57.56 22.09 44.57 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 127.077 2.275 . . . . 0.0 118.406 168.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 19.8 mtm180 -128.42 -72.81 0.6 Allowed 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.357 1.579 . . . . 0.0 114.724 -169.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 5.6 m 165.19 145.53 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 130.301 3.44 . . . . 0.0 107.853 -169.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -144.19 -65.03 0.36 Allowed 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 118.18 0.446 . . . . 0.0 110.81 168.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 18.7 t -84.72 -46.42 11.46 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 118.253 0.479 . . . . 0.0 110.657 170.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 170.29 48.05 0.03 OUTLIER Glycine 0 CA--C 1.532 1.151 0 N-CA-C 115.745 1.058 . . . . 0.0 115.745 173.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 5.9 t -153.42 -133.78 0.05 OUTLIER 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 124.197 0.999 . . . . 0.0 111.505 -174.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 18.5 mtm-85 -126.13 -3.86 6.89 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 115.939 1.829 . . . . 0.0 115.939 -170.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 6.1 m 34.13 80.63 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 130.555 3.542 . . . . 0.0 117.145 172.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -76.37 123.82 26.57 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 105.963 -1.866 . . . . 0.0 105.963 166.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 96.7 t -137.43 122.8 25.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 -171.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -142.75 167.78 21.27 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.464 0.705 . . . . 0.0 110.706 -169.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 4.2 pp -69.95 147.8 49.74 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 120.302 -1.499 . . . . 0.0 108.551 167.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.5 t . . . . . 0 N--CA 1.469 0.513 0 O-C-N 121.777 -0.577 . . . . 0.0 111.046 -179.777 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 . . . . . 0 CA--C 1.544 0.727 0 CA-C-O 121.014 0.435 . . . . 0.0 111.647 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.443 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 89.8 m-85 -128.7 156.57 43.28 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 127.347 2.259 . . . . 0.0 108.759 -178.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -110.7 161.55 15.65 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.903 1.281 . . . . 0.0 111.414 -178.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.467 HD11 ' HG ' ' A' ' 7' ' ' LEU . 1.5 tm? -146.03 135.45 23.01 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 126.097 1.759 . . . . 0.0 110.572 175.191 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mp -111.62 129.04 67.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 126.218 1.807 . . . . 0.0 110.458 172.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.467 ' HG ' HD11 ' A' ' 5' ' ' LEU . 2.4 mp -102.63 65.06 0.9 Allowed 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 128.005 2.522 . . . . 0.0 109.651 178.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 . . . . . 0 CA--C 1.555 1.147 0 C-N-CA 124.108 0.963 . . . . 0.0 112.46 172.088 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.469 0.515 0 N-CA-C 116.851 2.167 . . . . 0.0 116.851 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -168.4 -157.54 11.4 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 117.7 1.84 . . . . 0.0 117.7 169.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -157.84 157.88 34.1 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.448 1.899 . . . . 0.0 112.075 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.3 t -156.8 -174.77 5.08 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.921 1.688 . . . . 0.0 110.1 177.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 64.0 p -141.53 170.19 16.18 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 125.84 1.656 . . . . 0.0 110.899 176.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.3 t -156.45 154.82 31.03 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.833 0.853 . . . . 0.0 111.432 171.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -80.66 117.08 21.04 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 168.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -134.82 177.13 8.03 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.627 1.571 . . . . 0.0 112.645 179.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 52.3 t -85.95 -39.07 13.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 O-C-N 121.294 -0.879 . . . . 0.0 111.741 170.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.443 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 2.9 t70 175.95 -156.05 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 131.14 3.776 . . . . 0.0 106.679 172.26 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.19 -21.97 2.34 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 120.402 1.455 . . . . 0.0 114.325 169.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.39 -7.81 21.63 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.788 1.235 . . . . 0.0 113.589 173.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 22.1 m -138.02 -35.72 0.62 Allowed 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.579 1.552 . . . . 0.0 112.62 176.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.24 -39.54 92.85 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.362 1.065 . . . . 0.0 110.511 175.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -76.87 8.82 3.36 Favored 'General case' 0 CA--C 1.553 1.068 0 N-CA-C 114.435 1.272 . . . . 0.0 114.435 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.404 ' O ' ' HE3' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -132.33 17.63 4.46 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.966 1.706 . . . . 0.0 112.482 170.124 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.8 t -118.36 -48.4 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 124.752 1.221 . . . . 0.0 109.418 172.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -63.22 -29.23 70.61 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 178.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -61.66 -31.24 71.34 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.521 0.728 . . . . 0.0 112.675 176.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -84.74 -44.93 12.9 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.55 1.14 . . . . 0.0 110.159 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -63.02 -42.86 99.9 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.63 0.772 . . . . 0.0 111.989 177.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.76 -47.45 80.95 Favored 'General case' 0 N--CA 1.453 -0.302 0 O-C-N 121.318 -0.864 . . . . 0.0 112.053 -178.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -64.28 -23.13 67.19 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 174.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -79.04 -28.76 43.26 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.248 0.931 . . . . 0.0 113.135 175.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -77.97 -40.97 37.62 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 167.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 125.64 -0.41 7.95 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 128.439 2.923 . . . . 0.0 114.988 169.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.4 t -77.96 141.9 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-N 118.799 1.299 . . . . 0.0 109.908 175.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -161.61 60.7 0.26 Allowed 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 122.378 1.085 . . . . 0.0 113.046 169.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.427 ' H ' HG22 ' A' ' 54' ' ' VAL . . . -92.04 -147.65 20.99 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 125.163 1.363 . . . . 0.0 115.54 177.445 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -65.47 117.48 8.03 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.695 0.798 . . . . 0.0 111.011 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 77.8 m95 -81.64 130.63 35.12 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.916 0.865 . . . . 0.0 110.592 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -136.03 159.18 42.49 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 126.594 1.958 . . . . 0.0 110.105 -173.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -156.29 165.95 34.86 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.389 1.476 . . . . 0.0 110.701 -178.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -141.97 165.56 27.12 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.623 1.169 . . . . 0.0 112.18 176.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.454 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -125.18 0.31 7.8 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 115.122 1.527 . . . . 0.0 115.122 -179.592 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -94.01 -31.21 14.33 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.011 1.325 . . . . 0.0 111.367 170.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.1 t -129.73 2.43 4.94 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.611 1.164 . . . . 0.0 113.728 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.454 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 3.0 mmpt? 51.57 41.05 28.35 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 125.044 1.338 . . . . 0.0 113.612 168.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 45.2 m -118.02 111.6 19.16 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 125.815 1.646 . . . . 0.0 109.119 -170.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -67.42 162.97 21.89 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 122.196 0.998 . . . . 0.0 111.316 169.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.2 m -146.59 153.24 40.11 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 124.822 1.249 . . . . 0.0 108.139 169.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.427 HG22 ' H ' ' A' ' 41' ' ' GLY . 13.1 p -138.24 107.58 4.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 126.1 1.76 . . . . 0.0 108.403 171.559 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 87.0 m . . . . . 0 N--CA 1.477 0.89 0 C-N-CA 123.776 0.83 . . . . 0.0 110.689 -173.195 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 48.1 mttp . . . . . 0 N--CA 1.472 0.648 0 CA-C-O 121.264 0.554 . . . . 0.0 111.569 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.447 HG13 HG13 ' A' ' 115' ' ' VAL . 0.2 OUTLIER -133.51 147.14 31.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 C-N-CA 125.874 1.67 . . . . 0.0 109.858 179.213 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -87.18 149.86 24.34 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 127.372 2.269 . . . . 0.0 109.796 177.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.1 p -148.79 115.58 0.86 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.312 0 CA-C-N 118.84 0.745 . . . . 0.0 110.731 169.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.142 0 N-CA-C 117.72 1.848 . . . . 0.0 117.72 -171.507 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.5 ptmm? . . . . . 0 N--CA 1.473 0.712 0 N-CA-C 116.208 1.929 . . . . 0.0 116.208 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 5.5 m -58.0 -52.17 66.61 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 120.629 1.559 . . . . 0.0 111.175 175.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.87 -49.5 77.21 Favored 'General case' 0 C--N 1.339 0.135 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 176.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 59.8 mt -54.39 -55.77 25.3 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-O 121.737 0.779 . . . . 0.0 111.219 -175.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -60.32 -42.57 95.87 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 125.277 1.431 . . . . 0.0 112.01 -174.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.39 -37.05 66.11 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 119.192 0.906 . . . . 0.0 113.231 171.247 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.97 -46.33 85.1 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 119.242 0.928 . . . . 0.0 110.774 -176.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.424 ' HB3' ' CZ ' ' A' ' 117' ' ' PHE . 11.9 m-85 -63.68 -62.96 1.32 Allowed 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 125.477 1.511 . . . . 0.0 112.084 173.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.82 -19.8 56.18 Favored Glycine 0 CA--C 1.542 1.765 0 N-CA-C 115.289 0.876 . . . . 0.0 115.289 -175.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -54.98 -49.63 70.97 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.119 1.368 . . . . 0.0 112.406 168.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -71.01 -40.96 71.5 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.741 0.816 . . . . 0.0 111.183 178.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -173.72 161.69 32.29 Favored Glycine 0 N--CA 1.478 1.464 0 CA-C-O 118.8 -1.0 . . . . 0.0 114.279 169.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -64.25 140.71 72.17 Favored 'Trans proline' 0 CA--C 1.536 0.575 0 CA-C-N 120.81 2.305 . . . . 0.0 115.74 -168.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 15.7 mt -89.72 160.35 16.62 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 127.164 2.186 . . . . 0.0 113.21 -177.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -112.82 -37.66 4.78 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.928 1.691 . . . . 0.0 111.705 169.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 9.8 t -160.21 158.54 30.2 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.121 1.369 . . . . 0.0 112.107 172.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 58.7 t -141.88 143.84 26.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 125.988 1.715 . . . . 0.0 107.907 169.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 80.5 t90 -145.54 149.25 34.26 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 124.898 1.279 . . . . 0.0 111.004 -173.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.422 HG12 ' HB1' ' A' ' 113' ' ' ALA . 4.3 m -141.32 149.98 20.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.104 0.962 . . . . 0.0 109.035 173.09 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.514 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -169.356 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.547 0.852 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.422 ' HB1' HG12 ' A' ' 105' ' ' VAL . . . -163.24 -179.55 6.69 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 -166.668 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -144.49 166.34 25.42 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.447 HG13 HG13 ' A' ' 76' ' ' VAL . 1.4 p -151.17 155.54 7.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 126.247 1.819 . . . . 0.0 111.086 -176.624 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 68.2 tt0 -140.49 120.15 13.34 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.272 1.429 . . . . 0.0 108.8 168.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.424 ' CZ ' ' HB3' ' A' ' 94' ' ' PHE . 33.3 m-85 -88.19 171.49 10.18 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 123.788 0.835 . . . . 0.0 112.238 177.13 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -80.16 -20.5 44.73 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 170.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -144.71 127.8 8.51 Favored Pre-proline 0 CA--C 1.551 0.995 0 C-N-CA 124.006 0.923 . . . . 0.0 111.99 -169.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_exo -56.11 -34.06 91.82 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 123.82 3.014 . . . . 0.0 114.89 177.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 22.5 ttp-105 -58.09 -47.88 81.87 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 119.104 0.865 . . . . 0.0 110.524 175.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -76.22 -34.87 59.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.183 -174.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.15 -42.65 95.33 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 122.943 0.497 . . . . 0.0 111.552 169.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -68.21 -44.61 75.39 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.761 0.824 . . . . 0.0 112.456 179.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -68.73 -34.2 75.21 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.416 -0.803 . . . . 0.0 112.261 176.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.37 -53.39 57.27 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 118.487 -0.768 . . . . 0.0 110.423 169.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 12.4 t -49.13 -48.2 17.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 C-N-CA 124.794 1.238 . . . . 0.0 111.874 172.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 19.7 ttp85 -57.85 -29.16 64.76 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.933 1.693 . . . . 0.0 113.203 177.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -114.35 16.67 17.81 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.395 1.478 . . . . 0.0 113.296 179.3 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 56.5 mt -133.73 -28.6 1.4 Allowed 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.295 1.038 . . . . 0.0 113.678 -178.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -67.6 128.4 36.3 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 120.076 1.307 . . . . 0.0 111.938 173.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 72.83 -39.02 0.77 Allowed Glycine 0 CA--C 1.535 1.329 0 C-N-CA 127.015 2.245 . . . . 0.0 116.68 171.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.88 6.47 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 130.129 3.371 . . . . 0.0 118.368 -172.622 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 90.1 m 65.42 134.12 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 128.559 2.744 . . . . 0.0 114.708 -175.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 10.3 tp -164.66 144.51 7.39 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 130.438 3.495 . . . . 0.0 102.534 -179.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 34.6 m 60.93 -57.09 0.09 Allowed 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.18 1.392 . . . . 0.0 113.211 -169.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 158.76 33.82 0.02 OUTLIER Glycine 0 CA--C 1.532 1.15 0 N-CA-C 118.37 2.108 . . . . 0.0 118.37 167.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 4.2 t -146.74 -155.72 0.65 Allowed 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 119.206 1.503 . . . . 0.0 112.331 -177.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -100.54 94.2 6.01 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 106.474 -1.676 . . . . 0.0 106.474 172.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 2.0 t -68.32 136.84 25.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 C-N-CA 125.108 1.363 . . . . 0.0 107.772 -173.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -108.55 96.7 6.52 Favored 'General case' 0 CA--C 1.511 -0.538 0 C-N-CA 124.322 1.049 . . . . 0.0 108.429 172.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 17.7 t -115.07 108.45 25.43 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 N-CA-C 106.703 -1.591 . . . . 0.0 106.703 -173.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -141.11 145.87 36.35 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 122.069 -0.394 . . . . 0.0 111.476 -167.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -60.08 130.79 48.46 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 120.217 -1.552 . . . . 0.0 109.246 173.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 32.5 t . . . . . 0 CA--C 1.533 0.314 0 CA-C-O 121.398 0.618 . . . . 0.0 111.963 -169.863 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . 0.258 20.2 tt0 . . . . . 0 CA--C 1.543 0.708 0 N-CA-C 114.501 1.297 . . . . 0.0 114.501 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -129.37 151.94 49.47 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 126.814 2.046 . . . . 0.0 108.323 -177.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -106.66 163.73 12.66 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.995 1.318 . . . . 0.0 111.174 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.667 HD22 ' HB3' ' A' ' 30' ' ' PHE . 15.9 tp -142.77 140.58 31.45 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 126.824 2.05 . . . . 0.0 110.759 173.213 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.4 mp -119.15 111.84 35.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 126.408 1.883 . . . . 0.0 108.92 173.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.593 HD21 HD21 ' A' ' 5' ' ' LEU . 68.9 mt -82.31 66.59 7.97 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 126.67 1.988 . . . . 0.0 111.549 172.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.428 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 41.1 t30 . . . . . 0 CA--C 1.55 0.959 0 N-CA-C 115.263 1.579 . . . . 0.0 115.263 -178.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.468 0.437 0 N-CA-C 117.262 2.319 . . . . 0.0 117.262 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.89 -161.11 16.83 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 116.648 1.419 . . . . 0.0 116.648 169.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -143.15 163.5 32.72 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.1 0.96 . . . . 0.0 112.551 -170.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.7 t -159.33 -177.39 6.41 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.568 1.547 . . . . 0.0 110.541 169.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 77.1 p -141.95 170.45 15.7 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 126.098 1.759 . . . . 0.0 110.347 173.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.662 HG21 HG11 ' A' ' 29' ' ' VAL . 5.3 t -157.59 151.36 24.12 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.154 0.982 . . . . 0.0 110.655 176.522 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -81.1 123.03 28.06 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 107.061 -1.459 . . . . 0.0 107.061 167.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.404 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -139.8 173.53 11.44 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.245 1.418 . . . . 0.0 112.272 178.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 97.0 t -78.03 -47.23 25.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 O-C-N 121.995 -0.44 . . . . 0.0 110.379 169.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.5 t70 178.75 -156.75 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 130.413 3.485 . . . . 0.0 106.236 178.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.52 -19.86 1.64 Allowed 'General case' 0 CA--C 1.547 0.831 0 O-C-N 120.011 -1.681 . . . . 0.0 114.535 169.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.22 -10.4 31.47 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.252 1.021 . . . . 0.0 113.654 172.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.404 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 53.7 m -137.5 -36.01 0.65 Allowed 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 126.105 1.762 . . . . 0.0 112.236 178.271 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.442 ' HA ' HG12 ' A' ' 29' ' ' VAL . . . -68.18 -34.91 77.16 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.988 1.315 . . . . 0.0 111.09 176.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -78.03 6.65 7.44 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 177.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.68 18.27 3.31 Favored 'General case' 0 N--CA 1.466 0.357 0 O-C-N 120.503 -1.373 . . . . 0.0 112.202 175.577 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.662 HG11 HG21 ' A' ' 18' ' ' THR . 6.1 p -123.77 -40.73 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 124.532 1.133 . . . . 0.0 111.941 177.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.667 ' HB3' HD22 ' A' ' 5' ' ' LEU . 22.7 m-85 -68.46 -27.5 66.22 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 123.887 0.875 . . . . 0.0 113.031 173.173 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -54.8 -29.01 53.49 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.394 1.478 . . . . 0.0 113.256 176.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -81.06 -53.12 6.69 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.503 0.721 . . . . 0.0 109.922 178.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -60.19 -42.48 95.17 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.26 1.024 . . . . 0.0 112.675 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.95 -52.03 67.19 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 123.803 0.841 . . . . 0.0 111.798 178.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -68.76 -17.64 64.07 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -85.02 -30.39 24.19 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.878 0.871 . . . . 0.0 112.828 175.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 56.4 m-80 -76.29 -38.34 56.25 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 168.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 123.88 -0.69 9.2 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 128.288 2.851 . . . . 0.0 115.126 169.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.3 t -75.16 147.13 8.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 CA-C-N 118.502 1.151 . . . . 0.0 110.599 175.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -164.3 73.42 0.26 Allowed 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 122.413 1.101 . . . . 0.0 111.935 168.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.58 ' H ' HG22 ' A' ' 54' ' ' VAL . . . -111.84 -140.36 8.07 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 125.218 1.389 . . . . 0.0 116.323 -177.265 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -73.93 90.11 1.92 Allowed 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.109 1.364 . . . . 0.0 112.166 -173.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 92.1 m95 -63.88 110.99 2.28 Favored 'General case' 0 C--O 1.235 0.295 0 O-C-N 120.767 -1.208 . . . . 0.0 109.875 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 60.4 m -132.56 163.09 29.64 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 127.851 2.461 . . . . 0.0 109.048 -168.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -157.59 167.41 30.22 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.113 1.365 . . . . 0.0 111.174 -169.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -139.89 163.82 31.62 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.879 1.272 . . . . 0.0 111.608 174.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.439 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -124.73 2.71 8.2 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 114.87 1.433 . . . . 0.0 114.87 -178.523 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -98.36 -31.14 12.18 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.378 1.471 . . . . 0.0 111.435 170.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.6 t -127.43 0.85 6.29 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.404 1.081 . . . . 0.0 113.744 178.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.439 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 2.9 mmpt? 52.29 42.4 30.9 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.035 1.334 . . . . 0.0 113.421 168.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.7 m -119.49 112.93 19.99 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 126.08 1.752 . . . . 0.0 109.164 -171.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -65.32 159.88 22.97 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.194 0.998 . . . . 0.0 111.487 169.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 36.3 m -146.49 150.72 36.13 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 125.508 1.523 . . . . 0.0 108.001 169.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.58 HG22 ' H ' ' A' ' 41' ' ' GLY . 11.1 p -142.47 79.18 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 125.336 1.454 . . . . 0.0 109.732 177.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.428 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 10.3 m . . . . . 0 N--CA 1.468 0.431 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.51 177.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 61.7 mttm . . . . . 0 N--CA 1.474 0.765 0 CA-C-O 121.419 0.628 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -139.72 146.79 24.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 125.171 1.388 . . . . 0.0 110.565 -179.411 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -102.57 150.56 23.29 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 126.947 2.099 . . . . 0.0 111.08 -173.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.551 HG13 ' HB3' ' A' ' 113' ' ' ALA . 0.7 OUTLIER -147.0 125.98 4.3 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.193 0 O-C-N 122.203 -0.31 . . . . 0.0 110.301 169.543 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.467 ' HA2' ' HA ' ' A' ' 112' ' ' PHE . . . . . . . . 0 N--CA 1.469 0.9 0 N-CA-C 115.97 1.148 . . . . 0.0 115.97 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.5 ptmm? . . . . . 0 C--O 1.22 -0.456 0 N-CA-C 115.508 1.67 . . . . 0.0 115.508 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 21.4 m -46.34 -57.08 4.94 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 115.785 1.772 . . . . 0.0 115.785 -168.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -78.25 -40.86 35.9 Favored 'General case' 0 CA--C 1.531 0.224 0 O-C-N 121.066 -1.021 . . . . 0.0 111.512 -175.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.414 HD12 ' N ' ' A' ' 91' ' ' GLU . 3.3 pp -63.77 -32.13 73.54 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.638 1.108 . . . . 0.0 111.847 176.478 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.414 ' N ' HD12 ' A' ' 90' ' ' LEU . 27.5 tt0 -62.6 -46.5 87.99 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 125.165 1.386 . . . . 0.0 111.588 174.394 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -34.84 78.79 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 119.259 0.936 . . . . 0.0 112.518 169.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.34 -48.07 81.46 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 119.306 0.957 . . . . 0.0 111.403 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.562 ' CD2' HG11 ' A' ' 115' ' ' VAL . 19.3 m-85 -64.02 -62.9 1.33 Allowed 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 125.299 1.439 . . . . 0.0 111.61 173.443 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -55.73 -22.7 34.12 Favored Glycine 0 CA--C 1.547 2.033 0 N-CA-C 115.781 1.072 . . . . 0.0 115.781 -178.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -55.44 -52.37 63.83 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.708 1.603 . . . . 0.0 112.992 169.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -68.64 -40.38 80.3 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.659 0.784 . . . . 0.0 111.198 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -170.22 162.94 36.24 Favored Glycine 0 N--CA 1.477 1.387 0 CA-C-O 118.659 -1.078 . . . . 0.0 113.382 169.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -70.63 134.61 26.53 Favored 'Trans proline' 0 CA--C 1.534 0.501 0 CA-C-N 121.143 2.471 . . . . 0.0 114.51 -169.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.532 HD13 ' CG2' ' A' ' 103' ' ' VAL . 22.8 mt -80.46 153.16 28.37 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.535 1.934 . . . . 0.0 112.985 176.473 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -94.68 -43.01 8.47 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 126.403 1.881 . . . . 0.0 110.384 168.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 10.7 t -158.24 157.24 32.21 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.157 0.983 . . . . 0.0 111.972 -178.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.532 ' CG2' HD13 ' A' ' 100' ' ' LEU . 98.0 t -142.58 136.94 28.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 126.078 1.751 . . . . 0.0 109.213 178.249 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 86.2 t90 -142.8 146.42 34.2 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 125.4 1.48 . . . . 0.0 111.674 -178.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.415 HG12 ' HB1' ' A' ' 113' ' ' ALA . 3.5 m -143.39 149.97 17.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 124.427 1.091 . . . . 0.0 108.101 169.161 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.653 0 O-C-N 121.66 -0.65 . . . . 0.0 112.507 -179.428 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.467 ' HA ' ' HA2' ' A' ' 79' ' ' GLY . 0.0 OUTLIER . . . . . 0 CA--C 1.553 1.067 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.551 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -167.99 174.72 7.17 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 125.534 1.534 . . . . 0.0 111.656 -168.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -145.03 152.11 39.61 Favored 'General case' 0 N--CA 1.483 1.177 0 O-C-N 121.366 -0.834 . . . . 0.0 113.228 173.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.562 HG11 ' CD2' ' A' ' 94' ' ' PHE . 34.9 m -141.97 170.46 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 124.265 1.026 . . . . 0.0 113.183 175.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 60.7 tt0 -143.44 132.97 23.55 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.577 1.151 . . . . 0.0 109.267 169.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -104.05 155.68 18.49 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.48 1.512 . . . . 0.0 111.982 178.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -72.88 -20.17 61.15 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 175.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -139.19 131.44 15.37 Favored Pre-proline 0 CA--C 1.549 0.905 0 C-N-CA 124.438 1.095 . . . . 0.0 111.771 -172.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -78.53 -23.96 8.01 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 123.019 2.479 . . . . 0.0 114.863 -173.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -76.83 -33.76 57.92 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 120.683 1.583 . . . . 0.0 111.446 173.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -70.13 -39.12 75.6 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.515 0.726 . . . . 0.0 110.424 172.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.19 -41.68 93.43 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 122.841 0.457 . . . . 0.0 111.695 169.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.85 -43.69 92.21 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 119.338 0.972 . . . . 0.0 112.827 176.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -59.29 -44.16 92.53 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.784 -0.573 . . . . 0.0 111.266 172.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.62 -53.59 52.32 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.378 0.671 . . . . 0.0 110.099 178.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 41.0 t -49.03 -45.45 16.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 125.437 1.495 . . . . 0.0 111.714 174.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.71 -29.35 56.21 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 120.121 1.328 . . . . 0.0 114.449 -178.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -93.05 0.3 57.3 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 119.421 1.01 . . . . 0.0 112.895 176.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.444 HD13 ' CE1' ' A' ' 94' ' ' PHE . 89.3 mt -117.28 -29.56 5.84 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 126.133 1.773 . . . . 0.0 113.076 177.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -70.13 119.17 13.93 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.648 1.113 . . . . 0.0 112.209 175.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 77.5 41.09 21.33 Favored Glycine 0 CA--C 1.533 1.161 0 N-CA-C 115.422 0.929 . . . . 0.0 115.422 169.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.22 10.81 1.01 Allowed 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 118.639 2.829 . . . . 0.0 118.639 -168.642 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 90.3 m 65.41 129.9 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 127.243 2.217 . . . . 0.0 114.166 -178.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 6.1 tp -153.91 2.34 0.25 Allowed 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 113.399 0.889 . . . . 0.0 113.399 -176.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 34.9 t -158.08 -49.59 0.06 Allowed 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 127.994 2.517 . . . . 0.0 106.662 173.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 164.04 41.96 0.02 OUTLIER Glycine 0 CA--C 1.531 1.072 0 N-CA-C 116.408 1.323 . . . . 0.0 116.408 168.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 2.4 t -154.41 -160.64 1.1 Allowed 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 124.808 1.243 . . . . 0.0 111.002 -175.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.81 8.73 40.02 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.735 -1.228 . . . . 0.0 114.196 -170.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 3.5 t 32.77 67.55 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 128.059 2.544 . . . . 0.0 112.144 169.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.24 111.08 16.28 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 121.232 -0.918 . . . . 0.0 109.329 -178.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 78.3 t -124.4 129.67 73.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 124.773 1.229 . . . . 0.0 109.767 -168.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -145.77 165.91 27.44 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.201 0.6 . . . . 0.0 111.684 -172.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -75.44 140.86 43.15 Favored 'General case' 0 CA--C 1.547 0.849 0 O-C-N 120.793 -1.192 . . . . 0.0 108.534 169.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 7.7 m . . . . . 0 N--CA 1.473 0.687 0 CA-C-N 118.966 0.803 . . . . 0.0 112.477 -177.123 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 . . . . . 0 CA--C 1.541 0.633 0 CA-C-O 121.268 0.556 . . . . 0.0 112.356 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.492 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 96.1 m-85 -127.86 150.98 49.61 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 127.204 2.202 . . . . 0.0 108.969 -177.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -106.07 164.43 11.99 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.754 1.221 . . . . 0.0 111.469 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.529 HD11 ' CD2' ' A' ' 7' ' ' LEU . 1.0 OUTLIER -147.61 137.23 22.67 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 127.309 2.244 . . . . 0.0 110.489 177.42 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.6 mp -116.44 112.42 39.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 126.557 1.943 . . . . 0.0 110.612 172.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.529 ' CD2' HD11 ' A' ' 5' ' ' LEU . 85.8 mt -80.17 70.86 6.88 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.632 1.973 . . . . 0.0 110.679 171.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 . . . . . 0 CA--C 1.561 1.379 0 C-N-CA 127.153 2.181 . . . . 0.0 114.92 179.578 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.469 0.484 0 N-CA-C 116.974 2.213 . . . . 0.0 116.974 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -159.9 -165.37 16.68 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 115.947 1.139 . . . . 0.0 115.947 171.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -155.34 168.2 27.86 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.881 1.672 . . . . 0.0 111.194 178.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.5 t -162.05 -174.21 4.02 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.135 1.774 . . . . 0.0 109.698 171.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.4 p -138.72 172.66 12.54 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 125.836 1.654 . . . . 0.0 110.325 171.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.0 t -155.58 161.66 40.81 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.038 0.935 . . . . 0.0 110.611 170.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -91.64 120.31 32.3 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.943 0.897 . . . . 0.0 108.83 169.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -143.33 175.97 9.51 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.322 1.849 . . . . 0.0 112.22 -173.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.9 p -80.13 -42.27 21.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 O-C-N 121.104 -0.997 . . . . 0.0 110.853 169.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.492 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 4.0 t70 174.08 -159.34 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 131.226 3.81 . . . . 0.0 107.018 -178.381 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.06 -25.02 1.81 Allowed 'General case' 0 CA--C 1.545 0.754 0 O-C-N 120.456 -1.403 . . . . 0.0 114.232 171.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.03 1.65 3.33 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.524 1.13 . . . . 0.0 113.695 174.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.8 m -143.07 -36.79 0.37 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.563 1.545 . . . . 0.0 111.976 171.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.67 -38.71 92.16 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.786 1.234 . . . . 0.0 110.845 175.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -74.09 2.53 8.69 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 114.476 1.287 . . . . 0.0 114.476 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.99 17.0 5.12 Favored 'General case' 0 N--CA 1.464 0.261 0 O-C-N 120.416 -1.428 . . . . 0.0 111.722 174.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.9 t -118.37 -51.37 4.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 125.19 1.396 . . . . 0.0 110.182 178.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -62.91 -26.1 68.63 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 178.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -55.0 -32.3 61.69 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.836 1.254 . . . . 0.0 112.484 175.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -79.04 -50.91 10.32 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.227 0.611 . . . . 0.0 110.712 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -60.01 -41.26 91.77 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 124.313 1.045 . . . . 0.0 112.399 177.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.01 -48.73 80.53 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.513 0.725 . . . . 0.0 111.64 177.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -67.22 -23.05 65.69 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 177.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -79.34 -31.51 43.05 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 174.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -78.18 -32.49 50.14 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 168.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 110.34 3.7 29.15 Favored Glycine 0 CA--C 1.534 1.246 0 C-N-CA 128.819 3.104 . . . . 0.0 114.537 172.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 47.5 t -79.24 145.9 8.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 124.125 0.97 . . . . 0.0 110.839 175.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -163.1 51.78 0.17 Allowed 'General case' 0 CA--C 1.551 1.0 0 CA-C-O 122.64 1.21 . . . . 0.0 112.738 169.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.18 -149.2 4.8 Favored Glycine 0 CA--C 1.539 1.546 0 C-N-CA 125.911 1.719 . . . . 0.0 116.219 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.42 ' HG2' ' HB ' ' A' ' 55' ' ' THR . 6.4 pt-20 -71.96 95.13 1.53 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.405 1.082 . . . . 0.0 111.78 -178.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 82.4 m95 -60.75 128.14 35.1 Favored 'General case' 0 C--O 1.233 0.193 0 O-C-N 120.992 -1.067 . . . . 0.0 110.206 178.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.8 161.89 36.13 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 126.007 1.723 . . . . 0.0 110.032 -170.298 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -151.54 167.39 28.21 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.064 1.346 . . . . 0.0 110.29 178.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -139.68 128.25 23.02 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 125.056 1.343 . . . . 0.0 108.416 171.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.544 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 5.9 m-20 -87.8 -2.22 58.47 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 115.087 1.514 . . . . 0.0 115.087 -174.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -106.71 -30.67 8.82 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.406 1.482 . . . . 0.0 112.358 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.2 t -111.74 2.44 17.18 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.031 0.932 . . . . 0.0 112.679 172.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.544 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 4.4 mmpt? 51.43 40.49 26.77 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 126.043 1.737 . . . . 0.0 112.817 169.337 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 52.0 m -123.92 111.08 15.62 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.012 1.325 . . . . 0.0 109.293 -170.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -66.17 162.62 19.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 122.767 1.27 . . . . 0.0 111.652 170.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 29.9 m -147.73 160.48 42.66 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 125.404 1.482 . . . . 0.0 107.432 169.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.49 ' CG1' HD23 ' A' ' 7' ' ' LEU . 13.9 p -147.01 85.04 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 124.652 1.181 . . . . 0.0 109.112 173.493 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.42 ' HB ' ' HG2' ' A' ' 42' ' ' GLU . 96.9 m . . . . . 0 N--CA 1.466 0.358 0 CA-C-O 122.464 1.126 . . . . 0.0 111.358 -171.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt . . . . . 0 N--CA 1.47 0.547 0 CA-C-O 121.642 0.734 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 90.5 t -51.17 129.78 10.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 C-N-CA 125.377 1.471 . . . . 0.0 110.049 172.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -89.52 152.63 21.33 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 124.097 0.959 . . . . 0.0 109.366 171.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.475 HG13 ' HB3' ' A' ' 113' ' ' ALA . 0.2 OUTLIER -147.9 141.34 19.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.78 0.8 . . . . 0.0 109.864 169.814 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.871 0 N-CA-C 110.689 -0.965 . . . . 0.0 110.689 175.541 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.2 ptmm? . . . . . 0 C--O 1.22 -0.453 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 42.7 m -37.68 -67.42 0.19 Allowed 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 126.234 1.813 . . . . 0.0 115.0 -169.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.79 -55.79 20.43 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.732 0.813 . . . . 0.0 109.617 -175.123 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.1 pp -64.36 -33.12 75.11 Favored 'General case' 0 C--O 1.22 -0.48 0 O-C-N 123.437 0.461 . . . . 0.0 111.504 -172.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -63.3 -49.93 72.06 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 125.271 1.428 . . . . 0.0 110.804 178.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.98 -34.69 78.31 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 118.89 -1.124 . . . . 0.0 112.296 170.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.67 -38.36 89.08 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.706 0.802 . . . . 0.0 112.598 -177.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.517 ' CD2' HG11 ' A' ' 115' ' ' VAL . 14.3 m-85 -74.07 -61.04 1.99 Allowed 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 124.807 1.243 . . . . 0.0 110.73 175.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.27 -19.82 48.01 Favored Glycine 0 CA--C 1.545 1.944 0 N-CA-C 115.466 0.946 . . . . 0.0 115.466 -178.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -54.31 -45.77 72.66 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.805 1.642 . . . . 0.0 113.006 168.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -71.12 -42.48 69.19 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 118.527 0.603 . . . . 0.0 110.416 174.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -179.88 160.54 25.7 Favored Glycine 0 N--CA 1.475 1.265 0 CA-C-O 118.728 -1.04 . . . . 0.0 114.667 169.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.31 125.89 19.89 Favored 'Trans proline' 0 N--CA 1.46 -0.482 0 CA-C-N 120.73 2.265 . . . . 0.0 116.166 -169.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.555 HD13 ' CG2' ' A' ' 103' ' ' VAL . 16.3 mt -66.69 142.12 57.53 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 113.243 -1.799 . . . . 0.0 111.207 169.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? -91.53 -36.53 13.66 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.583 1.153 . . . . 0.0 110.876 169.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 28.1 m -150.56 152.12 33.64 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.84 1.256 . . . . 0.0 111.493 174.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.555 ' CG2' HD13 ' A' ' 100' ' ' LEU . 71.0 t -139.13 128.79 30.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 125.629 1.572 . . . . 0.0 107.219 169.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 79.1 t90 -139.99 143.94 36.73 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 124.872 1.269 . . . . 0.0 110.375 177.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.498 HG12 ' HB1' ' A' ' 113' ' ' ALA . 1.3 m -138.69 151.96 24.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 O-C-N 121.223 -0.923 . . . . 0.0 109.163 169.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.954 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -170.04 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 5.5 p90 . . . . . 0 CA--C 1.55 0.948 0 CA-C-O 122.315 1.055 . . . . 0.0 113.794 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.498 ' HB1' HG12 ' A' ' 105' ' ' VAL . . . -149.12 175.83 11.01 Favored 'General case' 0 CA--C 1.558 1.252 0 C-N-CA 130.319 3.448 . . . . 0.0 110.389 177.381 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -147.4 149.12 32.12 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.899 1.28 . . . . 0.0 111.755 173.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.517 HG11 ' CD2' ' A' ' 94' ' ' PHE . 13.5 m -140.3 173.1 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 CA-C-O 122.345 1.069 . . . . 0.0 113.137 173.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 -146.66 145.82 30.17 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 127.305 2.242 . . . . 0.0 107.101 176.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.449 ' HB2' ' HB2' ' A' ' 123' ' ' ALA . 22.0 m-85 -122.54 149.3 44.11 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.223 1.009 . . . . 0.0 111.167 -175.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -85.22 -3.84 58.95 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -176.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -144.92 126.1 7.67 Favored Pre-proline 0 CA--C 1.548 0.901 0 C-N-CA 124.681 1.192 . . . . 0.0 110.764 171.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -68.51 -23.81 36.9 Favored 'Trans proline' 0 CA--C 1.538 0.68 0 C-N-CA 123.383 2.722 . . . . 0.0 113.982 -176.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 22.2 ttp-105 -59.84 -50.31 74.28 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 120.021 1.282 . . . . 0.0 109.947 170.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -74.59 -33.2 62.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.048 -175.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.449 ' HB2' ' HB2' ' A' ' 117' ' ' PHE . . . -58.61 -46.69 86.5 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.51 0.724 . . . . 0.0 110.99 169.446 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.34 -45.69 79.36 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.336 0.654 . . . . 0.0 111.576 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.21 -32.67 73.05 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 118.938 0.79 . . . . 0.0 112.549 178.463 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.81 -54.75 38.04 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 121.787 -0.571 . . . . 0.0 110.105 169.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 46.6 t -52.78 -40.83 36.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.684 1.193 . . . . 0.0 112.077 174.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 23.8 ttp180 -59.25 -34.73 72.58 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 126.699 2.0 . . . . 0.0 112.762 177.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -118.85 12.82 13.03 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 124.817 1.247 . . . . 0.0 113.961 -170.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.41 HD13 ' CE1' ' A' ' 94' ' ' PHE . 33.7 mt -120.6 -22.35 6.41 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 114.896 1.443 . . . . 0.0 114.896 -178.416 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -78.17 145.15 35.78 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 120.173 1.351 . . . . 0.0 113.972 -177.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 60.14 -35.56 0.04 OUTLIER Glycine 0 CA--C 1.526 0.739 1 C-N-CA 130.857 4.075 . . . . 0.0 122.513 168.14 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 34.7 ptt180 -71.4 -37.46 71.52 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 -168.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.8 m 154.33 143.41 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 129.973 3.309 . . . . 0.0 109.947 -178.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 46.7 tp -140.25 -61.76 0.51 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.673 1.189 . . . . 0.0 108.095 167.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 91.9 m -87.64 -23.73 24.15 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 169.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 152.24 0.25 0.25 Allowed Glycine 0 CA--C 1.541 1.665 0 N-CA-C 117.686 1.834 . . . . 0.0 117.686 175.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 10.5 t -152.89 -160.85 1.19 Allowed 'General case' 0 CA--C 1.554 1.118 0 CA-C-N 119.437 1.618 . . . . 0.0 110.936 -176.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -63.6 79.38 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 127.039 2.136 . . . . 0.0 113.037 -176.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 2.1 p -67.15 127.37 28.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 126.883 2.073 . . . . 0.0 107.497 169.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 56.8 mtt85 -99.2 140.61 33.11 Favored 'General case' 0 CA--C 1.513 -0.463 0 O-C-N 121.433 -0.792 . . . . 0.0 109.027 170.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 69.8 t -145.31 118.23 2.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 169.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -139.3 -160.16 1.03 Allowed 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.869 1.268 . . . . 0.0 108.764 -176.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -151.72 145.69 25.21 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 119.778 -1.826 . . . . 0.0 114.911 169.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 6.6 t . . . . . 0 CA--C 1.552 1.045 0 C-N-CA 131.434 3.893 . . . . 0.0 119.156 168.779 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 . . . . . 0 CA--C 1.545 0.769 0 CA-C-O 120.969 0.414 . . . . 0.0 111.399 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.497 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 80.5 m-85 -126.02 154.63 42.7 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 127.209 2.203 . . . . 0.0 108.472 -179.616 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -106.67 163.74 12.66 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.596 1.158 . . . . 0.0 111.167 178.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.614 HD22 ' HB3' ' A' ' 30' ' ' PHE . 12.4 tp -143.96 139.19 28.96 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 127.114 2.166 . . . . 0.0 109.663 172.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.6 mp -117.37 110.13 30.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 125.71 1.604 . . . . 0.0 108.725 173.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.597 HD21 HD21 ' A' ' 5' ' ' LEU . 54.1 mt -79.54 73.26 6.22 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.304 1.042 . . . . 0.0 109.234 169.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 . . . . . 0 CA--C 1.56 1.346 0 C-N-CA 125.917 1.687 . . . . 0.0 113.432 173.134 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.91 1 N-CA-C 122.129 4.122 . . . . 0.0 122.129 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.83 -163.06 21.09 Favored Glycine 0 CA--C 1.533 1.203 0 N-CA-C 116.456 1.342 . . . . 0.0 116.456 169.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -160.24 162.71 33.76 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 126.536 1.934 . . . . 0.0 111.994 178.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.8 t -158.72 -174.43 4.77 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.56 1.944 . . . . 0.0 110.443 174.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.7 p -142.07 172.71 12.32 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.65 1.58 . . . . 0.0 110.926 173.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.0 t -160.99 151.02 17.46 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.75 0.82 . . . . 0.0 111.612 173.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.8 tp10 -75.27 121.87 22.83 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 106.674 -1.602 . . . . 0.0 106.674 166.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -138.59 176.12 8.97 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.854 1.662 . . . . 0.0 111.996 176.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.3 p -85.5 -32.53 7.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 O-C-N 121.375 -0.828 . . . . 0.0 112.496 169.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.497 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 1.6 t70 169.04 -159.0 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.051 1 C-N-CA 131.823 4.049 . . . . 0.0 107.657 176.439 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.97 -22.92 1.73 Allowed 'General case' 0 CA--C 1.547 0.839 0 O-C-N 120.599 -1.313 . . . . 0.0 114.064 169.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.84 -5.36 16.2 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.549 1.14 . . . . 0.0 113.729 174.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.5 m -136.6 -36.47 0.7 Allowed 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.754 1.621 . . . . 0.0 112.36 173.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.49 -38.43 90.98 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.866 1.267 . . . . 0.0 110.902 176.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -74.38 3.64 7.12 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 178.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.413 ' HE3' HG23 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -133.04 18.44 4.11 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 120.307 -1.496 . . . . 0.0 111.828 174.912 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.413 HG23 ' HE3' ' A' ' 28' ' ' LYS . 3.9 t -120.34 -51.39 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 125.202 1.401 . . . . 0.0 110.039 178.021 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.614 ' HB3' HD22 ' A' ' 5' ' ' LEU . 23.4 m-85 -61.81 -27.67 68.93 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 177.569 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -54.53 -30.56 54.1 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.239 1.416 . . . . 0.0 113.057 176.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -80.61 -50.47 9.93 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.552 0.741 . . . . 0.0 110.582 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -62.18 -42.04 98.9 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 124.261 1.024 . . . . 0.0 112.531 178.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.15 -49.57 76.52 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 123.802 0.841 . . . . 0.0 112.021 178.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -69.95 -17.79 63.33 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 178.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -82.49 -30.87 29.61 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 119.161 0.891 . . . . 0.0 113.159 173.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -78.42 -33.15 48.81 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 168.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.11 5.35 23.4 Favored Glycine 0 CA--C 1.533 1.217 0 C-N-CA 128.388 2.899 . . . . 0.0 114.774 170.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.5 t -78.77 146.64 7.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 124.035 0.934 . . . . 0.0 111.216 175.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -163.27 52.66 0.17 Allowed 'General case' 0 CA--C 1.548 0.895 0 CA-C-O 122.39 1.091 . . . . 0.0 112.032 169.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.64 -148.53 4.84 Favored Glycine 0 CA--C 1.541 1.664 0 C-N-CA 125.812 1.672 . . . . 0.0 115.568 177.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -69.11 88.64 0.42 Allowed 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.353 1.861 . . . . 0.0 112.613 176.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 80.8 m95 -57.08 122.79 13.2 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 124.246 1.018 . . . . 0.0 110.138 175.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.07 164.08 28.45 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 126.651 1.98 . . . . 0.0 110.563 -170.117 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -151.91 156.95 41.12 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.949 1.3 . . . . 0.0 110.392 176.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -129.12 122.57 30.16 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 125.412 1.485 . . . . 0.0 107.934 171.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.487 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.7 OUTLIER -84.31 -8.4 59.02 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 -173.838 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -99.64 -29.07 12.88 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.257 1.423 . . . . 0.0 112.022 -177.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.0 t -112.97 2.86 15.94 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.419 0.688 . . . . 0.0 112.794 171.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.487 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 4.3 mmpt? 54.36 40.2 31.56 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.048 1.739 . . . . 0.0 112.431 169.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 58.1 m -123.46 108.07 12.27 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 124.914 1.285 . . . . 0.0 109.719 -169.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -62.92 161.51 12.77 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 122.507 1.146 . . . . 0.0 110.762 168.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 21.5 m -147.01 161.21 41.27 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 169.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.7 p -149.68 77.84 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 C-N-CA 125.253 1.421 . . . . 0.0 108.61 172.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 91.1 m . . . . . 0 N--CA 1.466 0.352 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.861 -176.002 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 42.6 mttp . . . . . 0 N--CA 1.471 0.587 0 N-CA-C 110.442 -0.207 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 39.8 t -127.38 139.5 51.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.849 1.26 . . . . 0.0 110.044 -175.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -91.85 148.77 21.98 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 126.62 1.968 . . . . 0.0 110.352 170.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.51 HG13 ' HB3' ' A' ' 113' ' ' ALA . 0.8 OUTLIER -152.45 150.12 13.11 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 CA-C-O 122.276 1.036 . . . . 0.0 113.393 172.41 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.332 0 C-N-CA 125.863 1.697 . . . . 0.0 111.193 168.476 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.0 ptmm? . . . . . 0 C--O 1.22 -0.491 0 N-CA-C 115.184 1.55 . . . . 0.0 115.184 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 83.0 m -46.72 -54.64 9.25 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 115.488 1.662 . . . . 0.0 115.488 -169.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -72.25 -48.93 38.96 Favored 'General case' 0 CA--C 1.531 0.242 0 O-C-N 121.344 -0.847 . . . . 0.0 111.69 -177.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.0 pp -62.22 -33.58 74.84 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.425 -0.797 . . . . 0.0 111.877 178.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -62.82 -45.69 91.46 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 125.578 1.551 . . . . 0.0 112.504 176.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.08 -41.81 94.68 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 119.527 1.058 . . . . 0.0 111.061 170.252 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.99 -43.31 99.04 Favored 'General case' 0 C--O 1.223 -0.334 0 C-N-CA 123.713 0.805 . . . . 0.0 111.705 -176.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.572 ' CD2' HG21 ' A' ' 115' ' ' VAL . 13.8 m-85 -68.28 -63.97 0.95 Allowed 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 125.643 1.577 . . . . 0.0 112.051 173.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.93 -18.43 47.15 Favored Glycine 0 CA--C 1.545 1.945 0 N-CA-C 115.248 0.859 . . . . 0.0 115.248 -174.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -54.85 -51.8 64.79 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.276 1.831 . . . . 0.0 112.861 168.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -68.03 -41.05 82.72 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.376 0.671 . . . . 0.0 111.052 177.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -170.75 156.88 27.54 Favored Glycine 0 N--CA 1.473 1.126 0 CA-C-O 118.374 -1.237 . . . . 0.0 113.338 170.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -63.05 146.49 94.59 Favored 'Trans proline' 0 CA--C 1.536 0.603 0 CA-C-N 121.134 2.467 . . . . 0.0 113.632 -169.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.537 HD13 ' CG2' ' A' ' 103' ' ' VAL . 14.9 mt -92.09 164.62 13.53 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.432 1.893 . . . . 0.0 112.056 -177.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 30.5 mtm105 -127.01 -21.26 4.01 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.924 1.29 . . . . 0.0 113.773 169.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 16.2 m -154.36 148.42 25.76 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.398 1.479 . . . . 0.0 110.792 169.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.537 ' CG2' HD13 ' A' ' 100' ' ' LEU . 17.5 t -144.23 130.76 16.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 125.365 1.466 . . . . 0.0 107.758 175.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 70.2 t90 -139.97 139.1 36.0 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 124.544 1.137 . . . . 0.0 110.297 -170.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.448 HG12 ' HB1' ' A' ' 113' ' ' ALA . 3.3 m -135.98 144.52 33.15 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 169.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.645 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 -168.445 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.554 1.134 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.51 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -165.58 176.78 7.84 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.85 1.26 . . . . 0.0 114.397 -166.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -147.54 170.79 16.7 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 177.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.572 HG21 ' CD2' ' A' ' 94' ' ' PHE . 1.5 t -158.05 164.95 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 C-N-CA 126.457 1.903 . . . . 0.0 112.676 -170.522 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -146.93 123.57 11.15 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 126.58 1.952 . . . . 0.0 108.872 165.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.404 ' CZ ' ' HB3' ' A' ' 94' ' ' PHE . 24.0 m-85 -89.64 169.63 11.16 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 113.966 1.098 . . . . 0.0 113.966 -176.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -57.78 -42.29 83.78 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 120.926 -1.108 . . . . 0.0 111.609 169.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -140.71 138.72 18.78 Favored Pre-proline 0 CA--C 1.55 0.966 0 C-N-CA 123.755 0.822 . . . . 0.0 112.959 -170.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_exo -53.31 -35.14 73.45 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 124.605 3.536 . . . . 0.0 115.467 175.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 3.2 ttp85 -62.82 -40.8 98.52 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 119.292 0.951 . . . . 0.0 111.228 175.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -74.3 -37.56 63.62 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 118.72 -0.657 . . . . 0.0 111.948 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.43 -45.77 90.61 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.029 0.831 . . . . 0.0 111.823 169.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.58 -45.33 87.46 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.388 0.675 . . . . 0.0 112.054 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -70.13 -33.51 71.92 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.191 0.996 . . . . 0.0 112.699 178.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.27 -54.02 39.86 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.309 0.644 . . . . 0.0 110.276 169.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 39.5 t -49.59 -48.51 20.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 124.449 1.1 . . . . 0.0 111.458 173.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 54.9 ttp85 -57.35 -40.01 77.14 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.749 1.62 . . . . 0.0 113.238 -179.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -102.96 -14.23 16.58 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -173.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.414 ' HB3' HG21 ' A' ' 142' ' ' VAL . 45.0 mt -86.79 -42.25 13.45 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 125.422 1.489 . . . . 0.0 112.986 172.511 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -61.6 137.42 58.24 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -169.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 63.23 6.57 14.49 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 125.603 1.573 . . . . 0.0 116.319 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 4.7 mmt-85 -84.23 -77.97 0.25 Allowed 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 119.723 1.761 . . . . 0.0 112.437 -176.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.7 m 164.79 145.41 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 130.096 3.359 . . . . 0.0 109.95 177.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 14.2 mt -158.2 145.34 17.92 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 128.925 2.89 . . . . 0.0 105.126 168.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . 0.259 34.2 m 65.53 -48.55 0.38 Allowed 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 126.62 1.968 . . . . 0.0 111.978 -168.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 126.27 56.78 0.15 Allowed Glycine 0 C--N 1.347 1.16 0 N-CA-C 118.989 2.355 . . . . 0.0 118.989 166.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 49.0 t -154.7 -50.02 0.09 Allowed 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.687 0.795 . . . . 0.0 110.222 169.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.8 163.98 31.77 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 127.566 2.346 . . . . 0.0 109.897 174.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 3.5 p -143.43 149.82 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 124.334 1.054 . . . . 0.0 111.264 171.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . 0.428 HH11 ' HG2' ' A' ' 141' ' ' ARG . 0.0 OUTLIER -124.67 134.29 52.93 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 126.909 2.084 . . . . 0.0 105.83 168.636 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.414 HG21 ' HB3' ' A' ' 130' ' ' LEU . 97.5 t -145.45 129.12 11.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 170.091 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -142.23 169.54 17.39 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 119.781 1.173 . . . . 0.0 111.772 -178.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -79.41 134.01 36.56 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 120.427 -1.42 . . . . 0.0 108.235 169.351 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 8.0 m . . . . . 0 N--CA 1.473 0.718 0 C-N-CA 124.01 0.924 . . . . 0.0 112.882 179.662 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 . . . . . 0 CA--C 1.541 0.633 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -122.46 150.59 42.29 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 127.198 2.199 . . . . 0.0 108.614 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -100.82 163.38 12.34 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.265 1.026 . . . . 0.0 111.275 177.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.533 HD11 ' CD2' ' A' ' 7' ' ' LEU . 1.1 tm? -144.6 137.39 26.69 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 127.218 2.207 . . . . 0.0 109.594 174.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.3 mp -115.44 111.49 35.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 126.22 1.808 . . . . 0.0 108.736 172.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.533 ' CD2' HD11 ' A' ' 5' ' ' LEU . 89.9 mt -79.52 74.5 6.16 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 124.507 1.123 . . . . 0.0 108.255 169.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 . . . . . 0 CA--C 1.556 1.199 0 C-N-CA 126.453 1.901 . . . . 0.0 113.702 174.667 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.469 0.524 0 N-CA-C 118.073 2.62 . . . . 0.0 118.073 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -157.25 -161.31 10.74 Favored Glycine 0 CA--C 1.532 1.099 0 N-CA-C 116.963 1.545 . . . . 0.0 116.963 169.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -150.05 165.56 32.37 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 125.261 1.425 . . . . 0.0 112.216 -174.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.8 t -162.15 -175.6 4.68 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 126.254 1.822 . . . . 0.0 110.614 169.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 74.6 p -140.08 169.45 17.67 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 126.005 1.722 . . . . 0.0 110.691 172.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.629 HG21 HG11 ' A' ' 29' ' ' VAL . 5.5 t -155.67 142.7 19.11 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.316 -0.865 . . . . 0.0 111.033 177.154 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -76.28 108.32 9.14 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 169.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.528 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -131.77 174.19 10.39 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.281 1.432 . . . . 0.0 113.569 -176.539 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 84.2 t -81.05 -47.3 20.24 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 O-C-N 121.288 -0.882 . . . . 0.0 110.548 169.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.8 t70 178.88 -156.92 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 130.626 3.57 . . . . 0.0 106.405 178.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.43 -19.78 1.53 Allowed 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 120.917 1.69 . . . . 0.0 114.658 170.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.0 -8.85 25.34 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.336 1.054 . . . . 0.0 113.488 172.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.528 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 43.2 m -138.99 -36.25 0.54 Allowed 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 126.425 1.89 . . . . 0.0 112.054 -179.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.416 ' HA ' HG12 ' A' ' 29' ' ' VAL . . . -70.7 -36.85 73.46 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.26 1.424 . . . . 0.0 111.076 177.345 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -76.1 4.76 7.86 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 120.522 -1.361 . . . . 0.0 114.422 179.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.63 20.29 3.33 Favored 'General case' 0 N--CA 1.463 0.223 0 O-C-N 120.441 -1.412 . . . . 0.0 111.811 176.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.629 HG11 HG21 ' A' ' 18' ' ' THR . 4.3 p -125.12 -40.24 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 124.297 1.039 . . . . 0.0 112.216 176.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.48 ' CZ ' HG22 ' A' ' 18' ' ' THR . 24.0 m-85 -68.85 -27.5 65.88 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 124.381 1.072 . . . . 0.0 113.053 173.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -55.41 -31.61 61.99 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.096 1.358 . . . . 0.0 113.068 176.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -79.42 -49.91 11.62 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.054 0.942 . . . . 0.0 110.671 179.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -61.54 -41.8 97.88 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.66 1.184 . . . . 0.0 112.552 178.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.07 -49.64 76.22 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 123.982 0.913 . . . . 0.0 111.645 177.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -67.99 -19.38 64.93 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 177.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -82.95 -29.57 28.98 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 119.176 0.898 . . . . 0.0 113.241 173.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 54.3 m-80 -78.94 -33.89 44.97 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 168.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.0 4.21 24.33 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 128.728 3.061 . . . . 0.0 114.54 171.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 39.3 t -80.5 145.58 8.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.011 0.924 . . . . 0.0 110.645 174.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -162.56 52.09 0.19 Allowed 'General case' 0 CA--C 1.552 1.044 0 CA-C-O 122.51 1.148 . . . . 0.0 112.425 169.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.88 -147.48 3.1 Favored Glycine 0 CA--C 1.545 1.916 0 C-N-CA 126.16 1.838 . . . . 0.0 116.282 177.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -72.63 98.5 2.36 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.739 1.215 . . . . 0.0 112.491 -178.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 85.1 m95 -64.04 121.06 13.23 Favored 'General case' 0 N--CA 1.466 0.332 0 O-C-N 120.294 -1.504 . . . . 0.0 110.337 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.33 161.66 31.85 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 126.858 2.063 . . . . 0.0 110.458 -172.255 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -156.59 165.84 35.13 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.617 1.167 . . . . 0.0 111.403 -178.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -137.56 158.9 43.39 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 126.218 1.807 . . . . 0.0 110.825 -178.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.407 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.3 OUTLIER -127.77 30.5 5.29 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 -179.225 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -131.51 -33.43 1.45 Allowed 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.558 1.943 . . . . 0.0 112.619 176.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.6 t -122.24 -3.47 8.98 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 127.595 2.358 . . . . 0.0 112.585 172.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.407 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 3.2 mmpt? 56.98 46.04 20.14 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.581 1.552 . . . . 0.0 112.688 168.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 53.4 m -120.64 110.13 16.05 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 125.803 1.641 . . . . 0.0 109.616 -170.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -64.44 161.99 16.02 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.083 0.953 . . . . 0.0 111.47 169.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 22.5 m -147.15 159.88 43.1 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 125.43 1.492 . . . . 0.0 108.278 170.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.434 ' CG1' HD23 ' A' ' 7' ' ' LEU . 12.6 p -149.84 82.64 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 C-N-CA 124.609 1.164 . . . . 0.0 111.189 174.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 33.1 m . . . . . 0 N--CA 1.473 0.677 0 C-N-CA 123.578 0.751 . . . . 0.0 112.075 -174.792 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.0 mtmm . . . . . 0 N--CA 1.474 0.77 0 CA-C-O 122.437 1.113 . . . . 0.0 112.544 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.607 ' HB ' HG13 ' A' ' 115' ' ' VAL . 6.7 t -133.44 157.34 42.46 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 C-N-CA 127.906 2.482 . . . . 0.0 109.501 -170.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -126.14 146.27 50.01 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 127.567 2.347 . . . . 0.0 110.405 -176.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.492 HG13 ' HB3' ' A' ' 113' ' ' ALA . 2.0 p -145.78 138.78 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-O 122.239 1.019 . . . . 0.0 111.561 169.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.705 0 C-N-CA 123.739 0.685 . . . . 0.0 112.65 169.936 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.279 9.7 ptmm? . . . . . 0 N--CA 1.483 1.222 0 N-CA-C 120.276 3.436 . . . . 0.0 120.276 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 82.8 m -49.67 -59.14 4.07 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 121.817 2.099 . . . . 0.0 113.935 -170.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.27 -55.52 17.95 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 -175.06 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.478 HD12 ' N ' ' A' ' 91' ' ' GLU . 3.3 pp -63.22 -34.39 77.54 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 123.432 0.458 . . . . 0.0 112.052 -174.205 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.478 ' N ' HD12 ' A' ' 90' ' ' LEU . 25.3 tt0 -65.03 -47.86 75.91 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 124.053 0.941 . . . . 0.0 111.311 179.462 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.84 -32.07 70.28 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 119.585 -0.846 . . . . 0.0 112.391 172.467 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.51 -44.3 96.7 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.819 0.848 . . . . 0.0 111.466 178.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.647 ' CZ ' HG11 ' A' ' 115' ' ' VAL . 12.0 m-85 -64.14 -66.47 0.54 Allowed 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 125.404 1.482 . . . . 0.0 111.277 172.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' A' ' 98' ' ' GLY . . . -52.87 -24.47 19.61 Favored Glycine 0 CA--C 1.547 2.08 0 N-CA-C 116.363 1.305 . . . . 0.0 116.363 -178.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -55.47 -51.49 66.77 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 126.208 1.803 . . . . 0.0 113.614 169.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -68.47 -42.01 79.32 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.141 0.576 . . . . 0.0 110.959 178.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.401 ' O ' ' HA2' ' A' ' 95' ' ' GLY . . . -167.25 161.01 34.84 Favored Glycine 0 N--CA 1.473 1.163 0 CA-C-O 118.38 -1.233 . . . . 0.0 113.633 175.303 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -71.18 131.82 19.94 Favored 'Trans proline' 0 CA--C 1.533 0.463 0 CA-C-N 121.666 2.733 . . . . 0.0 113.58 -170.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.415 ' HA ' ' HA ' ' A' ' 117' ' ' PHE . 21.9 mt -71.37 162.17 29.87 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.401 1.88 . . . . 0.0 113.115 175.11 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 28.6 ttp180 -121.67 -29.03 4.44 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 126.116 1.766 . . . . 0.0 111.95 169.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.9 m -157.71 156.86 32.42 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.966 1.306 . . . . 0.0 111.907 169.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 83.6 t -142.62 138.27 28.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 125.613 1.565 . . . . 0.0 108.515 172.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 91.3 t90 -137.01 149.72 47.66 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 125.336 1.454 . . . . 0.0 110.582 178.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 14.3 m -143.79 155.46 15.99 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 C-N-CA 125.124 1.37 . . . . 0.0 108.627 174.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.552 1.027 0 N-CA-C 115.73 1.752 . . . . 0.0 115.73 -169.926 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.549 0.923 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.492 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -165.87 176.47 7.86 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 124.789 1.235 . . . . 0.0 113.767 -168.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -137.33 167.52 21.43 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 124.023 0.929 . . . . 0.0 112.925 174.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.647 HG11 ' CZ ' ' A' ' 94' ' ' PHE . 0.2 OUTLIER -156.69 158.27 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 C-N-CA 124.952 1.301 . . . . 0.0 111.648 -168.794 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 65.2 tt0 -144.24 134.14 23.9 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.699 1.6 . . . . 0.0 108.689 168.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.415 ' HA ' ' HA ' ' A' ' 100' ' ' LEU . 63.6 m-85 -104.21 162.92 12.78 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.903 0.881 . . . . 0.0 112.1 176.258 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -61.33 -27.12 68.27 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 177.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -140.77 128.02 12.1 Favored Pre-proline 0 CA--C 1.546 0.805 0 C-N-CA 126.302 1.841 . . . . 0.0 108.768 -177.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -49.67 -26.03 12.34 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 C-N-CA 123.891 3.061 . . . . 0.0 114.974 170.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -75.86 -30.25 58.83 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.469 1.107 . . . . 0.0 112.874 172.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -68.68 -44.99 72.85 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 119.518 1.054 . . . . 0.0 109.914 168.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.24 -43.82 83.3 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 171.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.04 -48.22 82.39 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.793 0.724 . . . . 0.0 112.173 -179.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.7 -30.69 63.01 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 119.483 1.038 . . . . 0.0 112.916 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.37 -50.75 70.33 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.772 -0.58 . . . . 0.0 111.221 170.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.447 HG22 HG12 ' A' ' 142' ' ' VAL . 53.2 t -55.12 -44.28 73.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 125.257 1.423 . . . . 0.0 110.868 171.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 44.0 ttp85 -60.61 -31.1 70.28 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.207 1.403 . . . . 0.0 113.188 -178.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -103.39 -22.14 13.71 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 115.097 1.517 . . . . 0.0 115.097 177.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 47.9 mt -81.68 -42.46 19.9 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 119.254 0.934 . . . . 0.0 112.619 175.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -62.2 116.92 5.39 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 -169.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 72.98 45.46 32.51 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 126.097 1.808 . . . . 0.0 115.044 176.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -118.45 -68.47 0.91 Allowed 'General case' 0 N--CA 1.488 1.439 0 CA-C-N 119.549 1.675 . . . . 0.0 114.475 -173.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 7.7 m 147.48 139.6 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.308 1 C-N-CA 132.53 4.332 . . . . 0.0 108.526 -175.342 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 2.1 tp -169.47 145.71 3.26 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 104.06 -2.571 . . . . 0.0 104.06 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 52.5 t 59.34 -62.88 0.04 OUTLIER 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 127.222 2.209 . . . . 0.0 111.703 -167.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 162.14 42.75 0.02 OUTLIER Glycine 0 CA--C 1.529 0.933 0 C-N-CA 125.333 1.444 . . . . 0.0 113.948 169.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 26.8 t -125.02 -104.0 0.36 Allowed 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.992 1.317 . . . . 0.0 109.834 -175.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -143.44 -23.3 0.6 Allowed 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 115.982 1.845 . . . . 0.0 115.982 169.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . 0.287 0.3 OUTLIER 55.74 111.66 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 C-N-CA 130.43 3.492 . . . . 0.0 111.909 -179.732 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.43 139.66 50.6 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 106.488 -1.671 . . . . 0.0 106.488 175.158 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.447 HG12 HG22 ' A' ' 127' ' ' VAL . 54.6 t -141.45 136.42 32.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 C-N-CA 122.912 0.485 . . . . 0.0 109.749 -168.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -139.79 176.92 8.33 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.092 0.957 . . . . 0.0 111.108 -178.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 58.9 mt -82.98 143.53 30.59 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 120.564 -1.335 . . . . 0.0 108.407 167.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 44.7 t . . . . . 0 N--CA 1.47 0.545 0 C-N-CA 124.193 0.997 . . . . 0.0 110.033 175.548 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 . . . . . 0 N--CA 1.471 0.606 0 CA-C-O 121.264 0.554 . . . . 0.0 111.543 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.435 ' CD2' ' HB3' ' A' ' 20' ' ' ALA . 96.3 m-85 -125.82 156.39 39.62 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 127.183 2.193 . . . . 0.0 108.771 -177.71 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -111.26 161.94 15.5 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.787 1.235 . . . . 0.0 111.703 -177.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.441 HD11 ' HG ' ' A' ' 7' ' ' LEU . 1.6 tm? -147.44 135.79 21.64 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.338 1.855 . . . . 0.0 110.731 176.192 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mp -116.09 122.95 70.74 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 C-N-CA 126.232 1.813 . . . . 0.0 111.467 175.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.441 ' HG ' HD11 ' A' ' 5' ' ' LEU . 3.4 mp -97.99 58.22 1.34 Allowed 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 128.935 2.894 . . . . 0.0 110.877 -177.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 . . . . . 0 CA--C 1.545 0.768 0 O-C-N 120.59 -1.319 . . . . 0.0 112.715 -176.421 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.966 0 N-CA-C 118.344 2.72 . . . . 0.0 118.344 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -177.39 -161.64 26.22 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 117.204 1.642 . . . . 0.0 117.204 169.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -158.58 158.3 33.64 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 126.694 1.997 . . . . 0.0 111.787 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.8 t -154.79 -175.51 5.46 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.975 1.71 . . . . 0.0 109.833 176.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 74.7 p -141.49 173.57 11.37 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.406 1.482 . . . . 0.0 110.573 174.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.595 HG21 HG11 ' A' ' 29' ' ' VAL . 5.1 t -157.9 150.47 22.56 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 121.197 -0.939 . . . . 0.0 111.046 177.135 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -81.22 121.39 26.09 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 167.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.641 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -143.4 173.19 11.83 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 126.225 1.81 . . . . 0.0 112.802 -176.491 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.2 t -79.3 -46.29 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 O-C-N 120.932 -1.105 . . . . 0.0 110.087 169.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.9 t70 177.52 -158.19 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 129.898 3.279 . . . . 0.0 106.626 -176.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.56 -20.62 3.1 Favored 'General case' 0 CA--C 1.547 0.84 0 O-C-N 119.981 -1.7 . . . . 0.0 113.933 169.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.73 -6.22 10.98 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.991 1.316 . . . . 0.0 113.78 173.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.641 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 23.3 m -140.09 -37.76 0.47 Allowed 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 126.098 1.759 . . . . 0.0 112.357 179.395 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.452 ' HA ' HG12 ' A' ' 29' ' ' VAL . . . -68.01 -37.55 81.57 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.037 1.335 . . . . 0.0 110.695 176.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.421 ' HG3' ' HE3' ' A' ' 31' ' ' LYS . 0.8 OUTLIER -74.95 5.63 4.94 Favored 'General case' 0 CA--C 1.552 1.048 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 178.236 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.51 11.62 4.1 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 125.724 1.61 . . . . 0.0 112.949 173.319 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.595 HG11 HG21 ' A' ' 18' ' ' THR . 4.9 p -118.48 -39.98 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 C-N-CA 124.254 1.021 . . . . 0.0 112.605 175.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.42 ' CZ ' HG22 ' A' ' 18' ' ' THR . 21.7 m-85 -65.87 -31.08 71.82 Favored 'General case' 0 C--O 1.224 -0.245 0 C-N-CA 123.882 0.873 . . . . 0.0 112.225 172.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.433 ' HD3' ' CZ2' ' A' ' 43' ' ' TRP . 11.8 mmtt -56.98 -28.47 62.36 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.162 0.985 . . . . 0.0 112.937 177.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -81.15 -49.89 10.28 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 118.45 0.568 . . . . 0.0 111.497 176.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -61.22 -40.78 95.27 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.453 1.101 . . . . 0.0 111.683 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.75 -49.43 76.61 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 125.539 1.536 . . . . 0.0 111.903 175.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -63.25 -25.01 68.13 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 177.29 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -80.33 -28.39 38.17 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 177.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 51.2 m-80 -80.45 -32.07 37.32 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 168.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.32 -0.97 18.86 Favored Glycine 0 CA--C 1.532 1.131 0 C-N-CA 128.689 3.043 . . . . 0.0 114.448 170.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.1 p -74.06 155.56 6.62 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 CA-C-N 118.477 1.138 . . . . 0.0 112.034 178.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -164.03 30.31 0.08 Allowed 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 125.874 1.67 . . . . 0.0 110.314 169.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.23 -154.45 0.01 OUTLIER Glycine 0 CA--C 1.546 2.0 0 C-N-CA 128.696 3.046 . . . . 0.0 118.21 178.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -66.77 90.59 0.17 Allowed 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.95 1.3 . . . . 0.0 111.85 -178.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.433 ' CZ2' ' HD3' ' A' ' 31' ' ' LYS . 78.7 m95 -65.79 110.08 2.69 Favored 'General case' 0 C--O 1.236 0.342 0 O-C-N 120.354 -1.466 . . . . 0.0 110.215 -178.244 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.93 162.28 25.57 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 126.294 1.838 . . . . 0.0 110.905 -171.495 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -151.86 164.21 37.57 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.498 1.119 . . . . 0.0 111.735 177.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -140.5 156.49 46.32 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.843 2.057 . . . . 0.0 109.854 -174.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.431 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.3 OUTLIER -126.86 1.02 6.67 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 -178.21 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -87.69 -30.05 20.66 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.443 1.097 . . . . 0.0 110.283 169.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.5 -8.76 4.13 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 -176.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.431 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 1.3 mmpt? 59.93 48.01 9.29 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.852 1.661 . . . . 0.0 112.475 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 73.2 m -120.57 113.75 20.72 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.076 0.951 . . . . 0.0 111.513 -174.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -66.86 160.88 25.14 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-O 122.275 1.036 . . . . 0.0 110.915 168.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.4 m -145.75 160.45 41.71 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.537 1.535 . . . . 0.0 107.96 169.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.1 p -151.29 68.98 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 C-N-CA 125.671 1.588 . . . . 0.0 110.572 -177.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.5 m . . . . . 0 N--CA 1.472 0.66 0 O-C-N 121.035 -1.041 . . . . 0.0 111.832 -177.978 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.4 mttp . . . . . 0 N--CA 1.478 0.954 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.606 ' HB ' HG13 ' A' ' 115' ' ' VAL . 23.5 t -124.4 142.83 39.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 124.314 1.046 . . . . 0.0 110.01 -176.394 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -101.09 148.63 24.84 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 127.162 2.185 . . . . 0.0 109.859 170.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.466 HG13 ' HB3' ' A' ' 113' ' ' ALA . 1.1 p -148.29 144.41 18.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 O-C-N 121.409 -0.807 . . . . 0.0 111.704 171.049 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.903 0 N-CA-C 117.302 1.681 . . . . 0.0 117.302 173.958 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.537 0.444 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 85.6 m -52.13 -57.95 8.05 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 121.051 1.75 . . . . 0.0 114.981 -169.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -74.63 -46.03 40.93 Favored 'General case' 0 C--N 1.344 0.331 0 CA-C-N 119.817 1.19 . . . . 0.0 111.081 -178.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.404 HD12 ' N ' ' A' ' 91' ' ' GLU 0.262 3.0 pp -60.24 -35.27 75.1 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 119.844 1.202 . . . . 0.0 112.114 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.404 ' N ' HD12 ' A' ' 90' ' ' LEU . 44.3 tt0 -58.22 -52.87 63.78 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.397 1.079 . . . . 0.0 112.174 170.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.28 -37.17 86.55 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 119.742 1.155 . . . . 0.0 111.9 176.27 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.57 -43.6 93.35 Favored 'General case' 0 C--O 1.223 -0.328 0 C-N-CA 124.473 1.109 . . . . 0.0 111.678 -179.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.641 ' CZ ' HG11 ' A' ' 115' ' ' VAL . 9.7 m-85 -66.91 -63.86 0.97 Allowed 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 125.24 1.416 . . . . 0.0 111.758 173.699 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -57.23 -22.32 43.26 Favored Glycine 0 CA--C 1.545 1.958 0 N-CA-C 115.423 0.929 . . . . 0.0 115.423 -178.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -53.69 -52.07 61.21 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.732 1.613 . . . . 0.0 112.659 169.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -67.02 -46.29 74.93 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.285 0.634 . . . . 0.0 110.564 177.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -165.09 151.01 19.62 Favored Glycine 0 N--CA 1.473 1.117 0 CA-C-O 118.418 -1.212 . . . . 0.0 112.796 176.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -63.77 123.85 12.66 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 CA-C-N 120.894 2.347 . . . . 0.0 112.844 -169.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.428 HD13 ' CG2' ' A' ' 103' ' ' VAL . 18.3 mt -60.52 157.2 14.66 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 125.062 1.345 . . . . 0.0 112.857 173.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -118.72 -21.71 7.75 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.601 1.161 . . . . 0.0 112.303 169.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.0 m -160.97 150.17 16.77 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.295 1.838 . . . . 0.0 111.415 168.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.428 ' CG2' HD13 ' A' ' 100' ' ' LEU . 99.2 t -138.8 141.62 36.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 126.244 1.818 . . . . 0.0 108.499 173.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 87.4 t90 -146.46 142.57 28.25 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 124.546 1.139 . . . . 0.0 111.395 -173.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.426 HG12 ' HB1' ' A' ' 113' ' ' ALA . 1.9 m -138.21 142.32 35.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 N-CA-C 106.375 -1.713 . . . . 0.0 106.375 168.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.704 0 N-CA-C 116.718 2.118 . . . . 0.0 116.718 -167.57 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.553 1.074 0 N-CA-C 106.118 -1.808 . . . . 0.0 106.118 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.466 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -161.05 177.34 10.41 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 115.531 1.678 . . . . 0.0 115.531 -166.048 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -145.42 169.09 19.01 Favored 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 178.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.641 HG11 ' CZ ' ' A' ' 94' ' ' PHE . 0.2 OUTLIER -157.36 153.53 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 125.926 1.691 . . . . 0.0 111.037 -171.398 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -138.39 122.97 18.54 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.758 1.623 . . . . 0.0 108.922 169.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -98.84 -10.65 22.65 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.259 1.024 . . . . 0.0 113.279 175.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 65.46 -40.1 0.3 Allowed 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 128.42 2.688 . . . . 0.0 114.696 -177.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -91.47 127.3 51.28 Favored Pre-proline 0 CA--C 1.549 0.912 0 C-N-CA 125.322 1.449 . . . . 0.0 110.595 174.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo -62.96 -31.42 77.0 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.117 2.545 . . . . 0.0 115.523 -179.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.4 -40.98 73.59 Favored 'General case' 0 N--CA 1.481 1.119 0 CA-C-N 120.776 1.625 . . . . 0.0 111.372 176.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -60.82 -49.19 78.46 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 122.668 0.387 . . . . 0.0 110.137 178.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.14 -40.52 96.34 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 171.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.431 ' HA ' HG12 ' A' ' 127' ' ' VAL . . . -58.77 -43.74 90.46 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 120.295 1.407 . . . . 0.0 112.326 -179.16 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -71.63 -35.77 70.52 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.338 -0.851 . . . . 0.0 111.201 176.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -74.64 1.27 12.59 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 172.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.431 HG12 ' HA ' ' A' ' 124' ' ' ALA . 0.4 OUTLIER -129.16 -1.9 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 O-C-N 120.179 -1.576 . . . . 0.0 112.389 178.228 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -122.09 4.6 9.83 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.961 1.705 . . . . 0.0 113.519 169.569 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -126.22 -30.01 2.95 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.411 1.085 . . . . 0.0 113.13 169.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 73.1 mt -76.11 -46.33 29.38 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 120.475 1.489 . . . . 0.0 111.21 168.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . 0.265 47.8 p30 11.64 -34.95 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.417 2 C-N-CA 135.14 5.376 . . . . 0.0 122.576 -170.415 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 167.26 25.68 0.02 OUTLIER Glycine 0 CA--C 1.536 1.348 0 C-N-CA 126.47 1.986 . . . . 0.0 114.393 177.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 34.9 mtt180 -78.42 -75.11 0.24 Allowed 'General case' 0 N--CA 1.482 1.125 0 CA-C-N 118.92 1.36 . . . . 0.0 112.712 -169.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 2.3 m -171.32 140.86 1.5 Allowed 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 127.907 2.483 . . . . 0.0 106.936 175.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 9.0 tp -165.22 141.42 5.52 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 105.338 -2.097 . . . . 0.0 105.338 -178.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 58.3 m 59.6 -48.74 0.08 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 127.383 2.273 . . . . 0.0 113.927 -168.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 150.98 31.85 0.04 OUTLIER Glycine 0 CA--C 1.529 0.952 0 C-N-CA 125.259 1.409 . . . . 0.0 115.726 168.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -139.42 178.92 6.85 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.247 1.019 . . . . 0.0 111.383 176.351 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.34 90.3 0.7 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.359 1.464 . . . . 0.0 108.6 176.717 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 9.1 p -75.41 165.59 3.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 124.179 0.991 . . . . 0.0 109.391 -175.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . 0.486 HH11 ' HG2' ' A' ' 141' ' ' ARG . 0.0 OUTLIER -136.07 131.43 34.86 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 127.669 2.388 . . . . 0.0 106.181 169.742 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 61.6 t -138.31 109.96 5.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 169.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -122.07 155.27 36.02 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 120.98 -1.075 . . . . 0.0 110.356 -169.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 7.0 tt -74.11 131.28 41.15 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 120.417 -1.427 . . . . 0.0 107.614 169.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 24.0 t . . . . . 0 CA--C 1.541 0.604 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 -168.764 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 . . . . . 0 CA--C 1.544 0.715 0 CA-C-O 121.1 0.476 . . . . 0.0 111.38 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.42 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 94.3 m-85 -125.47 153.47 43.49 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 127.504 2.322 . . . . 0.0 108.422 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -106.6 162.89 13.35 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.792 1.237 . . . . 0.0 111.22 179.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.523 HD11 ' HG ' ' A' ' 7' ' ' LEU . 1.3 tm? -145.65 138.07 25.67 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.741 2.016 . . . . 0.0 110.339 174.65 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.4 mp -114.94 131.48 67.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 126.427 1.891 . . . . 0.0 110.275 173.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.523 ' HG ' HD11 ' A' ' 5' ' ' LEU . 3.2 mp -106.88 58.83 0.63 Allowed 'General case' 0 C--O 1.222 -0.392 0 C-N-CA 127.132 2.173 . . . . 0.0 110.389 -176.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 . . . . . 0 CA--C 1.551 1.018 0 O-C-N 120.906 -1.122 . . . . 0.0 113.076 174.213 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -166.05 -161.61 15.5 Favored Glycine 0 CA--C 1.533 1.211 0 N-CA-C 116.562 1.385 . . . . 0.0 116.562 169.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -148.66 163.15 38.16 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.671 1.588 . . . . 0.0 112.101 -179.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.6 t -159.71 -176.56 5.8 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 126.066 1.746 . . . . 0.0 110.764 169.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 72.6 p -142.34 169.34 17.77 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 126.208 1.803 . . . . 0.0 110.696 173.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.2 t -157.38 150.33 23.42 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 121.357 -0.84 . . . . 0.0 111.551 172.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -76.59 118.75 19.55 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 167.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -138.35 175.9 9.17 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.887 1.675 . . . . 0.0 111.997 178.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.9 p -80.19 -40.16 19.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 O-C-N 121.1 -1.0 . . . . 0.0 111.056 169.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.42 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 3.8 t70 172.16 -160.01 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 131.405 3.882 . . . . 0.0 106.929 -177.545 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.75 -22.2 2.0 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 120.233 -1.542 . . . . 0.0 114.424 170.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.34 -4.85 15.9 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 121.019 -1.05 . . . . 0.0 113.567 174.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.1 m -137.06 -36.93 0.66 Allowed 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.734 1.614 . . . . 0.0 112.32 172.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.2 -38.48 90.61 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.781 1.232 . . . . 0.0 110.913 176.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -73.67 2.77 7.45 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 178.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.89 19.03 4.15 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 120.48 -1.387 . . . . 0.0 111.878 174.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.5 t -120.74 -51.83 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 125.449 1.5 . . . . 0.0 109.995 177.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -61.27 -27.55 68.55 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 123.846 0.858 . . . . 0.0 113.014 176.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -56.09 -29.63 60.86 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.662 1.185 . . . . 0.0 113.197 175.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -84.78 -49.4 8.48 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.595 0.758 . . . . 0.0 110.732 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -63.37 -40.36 97.05 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.965 0.906 . . . . 0.0 112.033 179.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.12 -49.35 78.0 Favored 'General case' 0 N--CA 1.453 -0.311 0 O-C-N 121.306 -0.871 . . . . 0.0 111.845 177.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -65.18 -21.23 66.74 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 174.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -79.91 -30.26 40.02 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 119.515 1.052 . . . . 0.0 112.934 174.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -77.18 -35.33 55.96 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 167.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 119.82 -3.99 13.08 Favored Glycine 0 N--CA 1.438 -1.194 0 C-N-CA 128.925 3.155 . . . . 0.0 114.06 171.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.0 t -74.4 141.93 15.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 CA-C-N 118.857 1.329 . . . . 0.0 111.108 177.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -161.33 52.59 0.26 Allowed 'General case' 0 CA--C 1.544 0.749 0 CA-C-O 122.672 1.225 . . . . 0.0 112.383 169.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.26 -151.93 7.58 Favored Glycine 0 CA--C 1.539 1.545 0 C-N-CA 125.601 1.572 . . . . 0.0 115.425 177.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -68.04 113.23 5.55 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.016 1.327 . . . . 0.0 111.051 176.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 80.4 m95 -77.71 138.25 38.94 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 121.101 -1.0 . . . . 0.0 110.739 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -143.43 161.9 37.18 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 126.517 1.927 . . . . 0.0 110.491 -170.552 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -158.02 168.26 27.61 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.087 1.355 . . . . 0.0 111.439 -177.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -141.2 165.51 27.34 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.272 1.429 . . . . 0.0 112.094 173.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.447 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 28.9 t70 -124.37 1.04 8.37 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 -177.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -98.95 -32.13 11.47 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.456 1.502 . . . . 0.0 111.482 171.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.1 t -123.77 -1.91 8.37 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.381 1.073 . . . . 0.0 113.406 178.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.447 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 2.3 mmpt? 53.76 42.06 31.89 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.963 1.305 . . . . 0.0 112.919 169.147 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.8 m -118.72 109.89 16.62 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 125.836 1.654 . . . . 0.0 109.395 -171.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -64.18 164.04 11.6 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 122.489 1.138 . . . . 0.0 111.643 169.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.2 m -147.41 156.86 43.28 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 125.257 1.423 . . . . 0.0 107.722 169.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 15.0 p -141.53 109.48 2.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 126.378 1.871 . . . . 0.0 107.888 170.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 64.9 m . . . . . 0 N--CA 1.475 0.784 0 C-N-CA 123.193 0.597 . . . . 0.0 110.626 -170.573 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.5 mttp . . . . . 0 N--CA 1.477 0.883 0 CA-C-O 121.804 0.811 . . . . 0.0 111.892 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -126.14 140.68 47.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 C-N-CA 126.622 1.969 . . . . 0.0 108.885 173.391 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -91.34 148.16 22.53 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 126.565 1.946 . . . . 0.0 109.935 -178.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.569 HG13 ' HB3' ' A' ' 113' ' ' ALA . 0.7 OUTLIER -145.95 138.35 20.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.088 0.471 . . . . 0.0 111.419 171.11 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.314 0 N-CA-C 117.297 1.679 . . . . 0.0 117.297 177.406 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.447 0 N-CA-C 121.186 3.772 . . . . 0.0 121.186 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 57.9 m -57.75 -50.4 73.37 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 120.923 1.692 . . . . 0.0 114.595 -169.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 60.2 tt0 -70.69 -47.58 59.11 Favored 'General case' 0 C--N 1.341 0.233 0 CA-C-N 119.085 0.857 . . . . 0.0 110.559 -177.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.9 pp -60.93 -34.5 74.81 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 118.939 0.79 . . . . 0.0 112.045 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -59.75 -45.2 92.97 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 119.011 0.823 . . . . 0.0 112.515 172.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.86 -36.45 75.53 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 119.788 1.176 . . . . 0.0 112.736 172.182 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.5 -44.31 97.31 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 124.268 1.027 . . . . 0.0 111.543 -179.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.526 ' CE2' HG11 ' A' ' 115' ' ' VAL . 15.3 m-85 -69.35 -65.18 0.74 Allowed 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 125.022 1.329 . . . . 0.0 111.768 173.442 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.409 ' HA2' ' O ' ' A' ' 98' ' ' GLY . . . -52.97 -21.69 10.77 Favored Glycine 0 CA--C 1.546 2.007 0 N-CA-C 115.958 1.143 . . . . 0.0 115.958 -176.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -55.14 -50.73 68.52 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.123 1.769 . . . . 0.0 113.089 168.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -66.94 -40.86 87.68 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.822 0.849 . . . . 0.0 110.903 176.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.409 ' O ' ' HA2' ' A' ' 95' ' ' GLY . . . -176.77 166.75 37.75 Favored Glycine 0 N--CA 1.477 1.424 0 CA-C-O 118.485 -1.175 . . . . 0.0 114.575 169.328 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -67.18 130.07 21.9 Favored 'Trans proline' 0 CA--C 1.535 0.528 0 CA-C-N 121.599 2.699 . . . . 0.0 113.813 -169.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.574 HD13 ' CG2' ' A' ' 103' ' ' VAL . 18.9 mt -71.23 144.34 50.11 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.011 1.724 . . . . 0.0 112.187 174.568 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 45.0 ttm180 -94.85 -34.14 12.57 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.78 1.632 . . . . 0.0 111.165 169.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 88.0 p -153.86 154.76 34.49 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.491 1.116 . . . . 0.0 112.248 173.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.574 ' CG2' HD13 ' A' ' 100' ' ' LEU . 67.5 t -140.77 131.79 28.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 125.29 1.436 . . . . 0.0 108.635 172.221 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 76.1 t90 -139.96 148.91 42.62 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 125.713 1.605 . . . . 0.0 110.484 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.9 m -142.77 151.44 17.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 C-N-CA 125.96 1.704 . . . . 0.0 107.373 175.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.722 0 N-CA-C 116.116 1.895 . . . . 0.0 116.116 -168.494 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.544 0.746 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.569 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -164.28 172.35 13.66 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 -167.03 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -147.26 146.17 29.68 Favored 'General case' 0 N--CA 1.482 1.128 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 175.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.526 HG11 ' CE2' ' A' ' 94' ' ' PHE . 18.1 m -141.49 170.26 13.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 124.259 1.024 . . . . 0.0 112.678 -175.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -144.85 148.8 34.39 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 120.97 -1.081 . . . . 0.0 109.719 168.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -113.05 158.75 19.92 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.348 1.459 . . . . 0.0 112.368 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -64.35 -41.81 96.56 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 177.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -110.5 126.1 29.53 Favored Pre-proline 0 CA--C 1.545 0.771 0 C-N-CA 124.786 1.234 . . . . 0.0 108.934 175.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -50.26 -25.65 13.9 Favored 'Trans proline' 0 CA--C 1.539 0.726 0 C-N-CA 123.541 2.827 . . . . 0.0 114.446 169.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.06 -28.18 62.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.164 0.986 . . . . 0.0 113.201 171.435 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -66.34 -45.43 80.25 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 119.715 1.143 . . . . 0.0 109.342 169.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.88 -37.41 82.05 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 118.716 -0.659 . . . . 0.0 112.18 172.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.73 -46.99 73.68 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 119.822 1.192 . . . . 0.0 112.754 175.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -56.01 -45.56 79.04 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 118.921 0.782 . . . . 0.0 110.964 171.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.42 -57.65 7.8 Favored 'General case' 0 C--O 1.221 -0.425 0 C-N-CA 123.333 0.653 . . . . 0.0 110.446 -178.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 41.7 t -53.76 -42.46 52.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 124.773 1.229 . . . . 0.0 112.184 178.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.11 -11.86 58.52 Favored 'General case' 0 N--CA 1.48 1.025 0 N-CA-C 114.336 1.235 . . . . 0.0 114.336 -176.273 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -112.76 -19.01 12.17 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 176.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 74.1 mt -89.67 -30.74 17.88 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.423 1.889 . . . . 0.0 112.541 169.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 13.8 p30 4.09 -48.24 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.395 1 C-N-CA 134.079 4.951 . . . . 0.0 120.167 -174.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 179.07 40.91 0.07 OUTLIER Glycine 0 CA--C 1.531 1.089 0 C-N-CA 129.148 3.261 . . . . 0.0 112.382 171.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 25.3 mmt85 -67.7 -84.05 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 125.231 1.412 . . . . 0.0 112.346 -174.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 3.3 m 177.62 140.38 0.08 Allowed 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 131.411 3.884 . . . . 0.0 105.51 178.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -167.77 141.1 3.34 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 105.538 -2.023 . . . . 0.0 105.538 -170.043 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 74.4 m 58.59 -29.26 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 127.019 2.128 . . . . 0.0 115.564 -169.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 144.88 2.65 0.73 Allowed Glycine 0 CA--C 1.529 0.911 0 C-N-CA 126.247 1.879 . . . . 0.0 115.67 169.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -128.39 177.85 6.68 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.742 1.217 . . . . 0.0 111.351 -177.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.74 90.71 1.87 Allowed 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.301 1.44 . . . . 0.0 109.529 -177.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 6.1 p -67.34 168.24 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 126.63 1.972 . . . . 0.0 109.159 177.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -156.58 126.6 6.42 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 126.956 2.102 . . . . 0.0 106.568 172.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 98.0 t -132.15 128.2 58.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 -174.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -140.42 178.14 7.52 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.822 0.849 . . . . 0.0 110.897 -169.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 20.3 tp -78.9 139.32 38.32 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 120.359 -1.463 . . . . 0.0 109.044 168.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 48.3 t . . . . . 0 N--CA 1.473 0.69 0 C-N-CA 123.867 0.867 . . . . 0.0 111.252 175.515 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 . . . . . 0 CA--C 1.544 0.747 0 CA-C-O 120.879 0.371 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.479 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 86.1 m-85 -126.1 157.81 37.08 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 127.277 2.231 . . . . 0.0 108.882 -177.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -114.42 163.2 15.66 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.733 1.213 . . . . 0.0 112.074 -176.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.517 HD22 ' N ' ' A' ' 6' ' ' ILE . 0.1 OUTLIER -149.63 127.88 12.1 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 126.296 1.838 . . . . 0.0 111.612 179.58 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.517 ' N ' HD22 ' A' ' 5' ' ' LEU . 1.4 mp -109.69 108.17 24.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 126.153 1.781 . . . . 0.0 110.831 176.066 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.455 HD23 ' CG1' ' A' ' 54' ' ' VAL . 16.2 mt -83.99 58.97 4.99 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 128.75 2.82 . . . . 0.0 111.734 176.38 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.417 ' HA ' ' HB2' ' A' ' 13' ' ' LYS . 4.4 t-20 . . . . . 0 C--N 1.329 -0.285 0 O-C-N 120.945 -1.097 . . . . 0.0 111.144 178.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.417 ' HB2' ' HA ' ' A' ' 8' ' ' ASN . 0.0 OUTLIER . . . . . 0 CA--C 1.516 -0.347 0 CA-C-O 121.267 0.556 . . . . 0.0 111.856 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -176.1 -161.78 25.84 Favored Glycine 0 CA--C 1.522 0.508 0 CA-C-N 114.647 -1.161 . . . . 0.0 115.458 168.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -156.82 155.55 31.72 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.414 1.086 . . . . 0.0 112.389 -174.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.9 t -151.42 -173.66 4.58 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.96 1.304 . . . . 0.0 109.704 174.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 66.9 p -142.06 173.38 11.57 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.299 1.44 . . . . 0.0 110.846 176.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.6 t -158.59 149.33 20.25 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 121.293 -0.879 . . . . 0.0 111.416 173.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 47.4 tp10 -75.06 118.23 17.78 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 107.002 -1.481 . . . . 0.0 107.002 167.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.421 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -137.22 176.91 8.28 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.616 1.567 . . . . 0.0 112.1 178.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 55.4 t -84.43 -38.82 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 O-C-N 121.546 -0.721 . . . . 0.0 111.629 171.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.479 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 2.4 t70 174.58 -156.61 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 130.819 3.648 . . . . 0.0 106.9 173.571 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.82 -21.01 2.51 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 120.468 -1.395 . . . . 0.0 113.616 169.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.55 -7.61 27.47 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.931 1.292 . . . . 0.0 113.814 173.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.421 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 49.8 m -135.48 -37.73 0.76 Allowed 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.84 1.656 . . . . 0.0 111.935 175.429 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.69 -39.66 94.87 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.177 1.391 . . . . 0.0 110.601 176.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -74.44 3.48 7.47 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 114.795 1.406 . . . . 0.0 114.795 178.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.34 18.45 4.42 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 120.368 -1.458 . . . . 0.0 111.821 173.215 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.5 t -119.87 -51.34 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 125.414 1.486 . . . . 0.0 109.777 177.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -61.75 -27.06 68.46 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 123.801 0.841 . . . . 0.0 112.66 177.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -56.18 -32.42 64.33 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.789 1.236 . . . . 0.0 113.202 175.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -81.36 -47.8 12.79 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.335 0.654 . . . . 0.0 110.788 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -66.23 -37.5 85.69 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.403 1.081 . . . . 0.0 112.101 179.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.38 -47.86 84.26 Favored 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 121.137 -0.977 . . . . 0.0 112.003 177.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 -67.02 -18.74 65.5 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 113.599 0.963 . . . . 0.0 113.599 175.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -80.91 -29.68 35.53 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.426 1.012 . . . . 0.0 113.127 171.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -77.42 -34.01 54.8 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.794 -0.566 . . . . 0.0 109.474 168.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.56 7.14 43.02 Favored Glycine 0 N--CA 1.44 -1.075 0 C-N-CA 127.989 2.709 . . . . 0.0 113.908 175.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.437 ' HB ' HD22 ' A' ' 7' ' ' LEU . 21.5 t -83.35 149.26 4.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-N 117.651 0.725 . . . . 0.0 110.117 170.584 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -160.69 46.1 0.21 Allowed 'General case' 0 CA--C 1.549 0.907 0 CA-C-O 122.922 1.344 . . . . 0.0 110.977 170.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.1 -151.32 0.84 Allowed Glycine 0 CA--C 1.539 1.591 0 C-N-CA 126.219 1.866 . . . . 0.0 117.641 178.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -68.45 93.01 0.46 Allowed 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 125.73 1.612 . . . . 0.0 112.431 -175.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 76.4 m95 -66.96 109.49 2.98 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 119.363 -2.085 . . . . 0.0 110.637 -174.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.6 m -128.0 160.59 31.45 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 127.116 2.167 . . . . 0.0 109.134 -170.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -149.08 163.07 38.61 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 126.098 1.759 . . . . 0.0 109.985 179.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -135.0 125.74 27.17 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 125.243 1.417 . . . . 0.0 108.437 171.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.491 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.8 OUTLIER -85.11 -7.64 59.0 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 -173.332 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -101.76 -28.65 12.33 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.304 1.442 . . . . 0.0 112.223 -177.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.8 t -113.37 1.85 15.26 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.656 0.783 . . . . 0.0 112.888 171.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.491 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 4.3 mmpt? 53.81 40.07 31.09 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 126.277 1.831 . . . . 0.0 112.869 169.723 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 57.6 m -124.58 112.9 17.36 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.852 1.261 . . . . 0.0 110.483 -169.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -67.31 158.52 31.36 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.847 1.259 . . . . 0.0 111.278 169.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 37.8 m -147.96 151.76 36.35 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.089 1.356 . . . . 0.0 107.71 169.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.455 ' CG1' HD23 ' A' ' 7' ' ' LEU 0.289 10.6 p -147.09 58.76 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 CA-C-O 123.272 1.51 . . . . 0.0 112.752 -171.803 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.6 m . . . . . 0 N--CA 1.476 0.835 0 C-N-CA 126.96 2.104 . . . . 0.0 114.295 -173.169 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.728 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.3 t -120.55 128.36 76.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 C-N-CA 126.6 1.96 . . . . 0.0 108.162 178.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -85.76 143.86 28.09 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 124.221 1.008 . . . . 0.0 109.337 171.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.469 HG13 ' HB3' ' A' ' 113' ' ' ALA . 0.9 OUTLIER -149.67 138.4 15.0 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.276 0 CA-C-O 121.662 0.744 . . . . 0.0 112.45 175.498 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.698 0 N-CA-C 108.479 -1.848 . . . . 0.0 108.479 167.998 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.5 ptpt . . . . . 0 N--CA 1.47 0.545 0 N-CA-C 115.712 1.745 . . . . 0.0 115.712 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 90.0 m -47.34 -62.43 1.43 Allowed 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 125.06 1.344 . . . . 0.0 113.495 -169.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.16 -55.76 16.8 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.27 -174.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.436 HD12 ' N ' ' A' ' 91' ' ' GLU . 3.5 pp -64.72 -34.45 78.35 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 120.251 -0.58 . . . . 0.0 111.732 -171.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.436 ' N ' HD12 ' A' ' 90' ' ' LEU . 30.0 tt0 -61.13 -49.98 75.08 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 119.551 1.069 . . . . 0.0 111.378 176.158 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.26 -34.25 77.57 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 118.983 -1.087 . . . . 0.0 111.866 174.008 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.21 -43.44 91.54 Favored 'General case' 0 C--O 1.222 -0.38 0 C-N-CA 123.905 0.882 . . . . 0.0 112.007 -178.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.498 ' CD2' HG11 ' A' ' 115' ' ' VAL . 18.0 m-85 -67.89 -63.65 1.02 Allowed 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 125.061 1.344 . . . . 0.0 111.078 174.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -56.08 -21.71 32.74 Favored Glycine 0 CA--C 1.546 2.021 0 N-CA-C 115.764 1.065 . . . . 0.0 115.764 -177.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -54.74 -51.16 66.52 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.854 1.662 . . . . 0.0 113.094 168.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -66.31 -40.84 90.24 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.197 0.599 . . . . 0.0 110.578 176.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -176.62 158.92 25.4 Favored Glycine 0 N--CA 1.479 1.523 0 CA-C-O 118.259 -1.301 . . . . 0.0 114.394 169.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -57.41 138.79 87.85 Favored 'Trans proline' 0 CA--C 1.536 0.614 0 CA-C-N 121.773 2.787 . . . . 0.0 115.877 -169.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.451 HD13 ' CG2' ' A' ' 103' ' ' VAL . 15.2 mt -83.89 158.23 21.69 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 126.199 1.799 . . . . 0.0 112.721 177.474 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 38.6 mtm-85 -109.31 -31.21 7.64 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 126.01 1.724 . . . . 0.0 112.118 169.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.5 t -155.55 149.64 25.64 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.241 1.017 . . . . 0.0 111.731 176.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.451 ' CG2' HD13 ' A' ' 100' ' ' LEU . 81.0 t -139.78 129.67 29.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 125.517 1.527 . . . . 0.0 108.791 172.401 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 79.4 t90 -136.17 150.58 49.1 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 126.054 1.742 . . . . 0.0 110.179 173.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 5.7 m -142.26 151.76 18.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 C-N-CA 123.699 0.799 . . . . 0.0 110.739 174.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.501 0 CA-C-O 121.623 0.725 . . . . 0.0 110.586 174.484 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.54 0.569 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.469 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -165.76 174.02 10.1 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.921 1.288 . . . . 0.0 114.069 -168.276 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -148.85 147.47 28.76 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 172.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.498 HG11 ' CD2' ' A' ' 94' ' ' PHE . 16.5 m -135.34 173.75 13.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 O-C-N 121.193 -0.942 . . . . 0.0 112.547 177.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -146.67 140.18 25.79 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.602 1.161 . . . . 0.0 108.599 169.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.453 ' HB2' ' HB2' ' A' ' 123' ' ' ALA . 35.5 m-85 -105.81 160.65 15.07 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.615 1.166 . . . . 0.0 113.078 -176.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -66.52 -27.11 67.51 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 173.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -141.12 123.58 9.53 Favored Pre-proline 0 CA--C 1.55 0.949 0 C-N-CA 124.331 1.053 . . . . 0.0 111.75 -173.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.74 -30.6 57.25 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 124.739 3.626 . . . . 0.0 115.456 176.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 23.2 ttp-105 -56.88 -48.52 77.97 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-N 119.799 1.181 . . . . 0.0 110.669 171.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -76.97 -34.66 57.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.858 -174.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.453 ' HB2' ' HB2' ' A' ' 117' ' ' PHE . . . -58.91 -47.03 86.43 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.342 0.657 . . . . 0.0 111.469 169.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.86 -49.69 69.54 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.55 0.74 . . . . 0.0 111.259 -179.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -70.43 -30.09 66.85 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 119.07 0.85 . . . . 0.0 112.974 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.21 -54.1 48.53 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 121.774 -0.579 . . . . 0.0 110.422 169.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 40.0 t -52.7 -42.45 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 124.779 1.232 . . . . 0.0 111.939 173.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -67.95 -23.35 65.05 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 127.195 2.198 . . . . 0.0 113.65 -179.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -106.1 -38.65 6.22 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.159 0.984 . . . . 0.0 113.42 178.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 32.6 mt -66.6 -40.19 88.76 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.724 1.61 . . . . 0.0 114.369 -177.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -58.08 142.82 45.74 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 115.923 1.823 . . . . 0.0 115.923 -169.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 74.13 -63.03 2.11 Favored Glycine 0 CA--C 1.531 1.087 0 C-N-CA 126.462 1.982 . . . . 0.0 116.992 169.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . 0.26 0.0 OUTLIER -74.36 38.57 0.11 Allowed 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 127.856 2.462 . . . . 0.0 117.452 -167.833 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 97.2 m 72.83 143.58 0.07 Allowed 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 127.008 2.123 . . . . 0.0 113.78 170.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 36.9 tp -142.6 -64.68 0.41 Allowed 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.355 0.662 . . . . 0.0 111.945 173.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 24.5 m -74.09 -27.43 60.89 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 119.307 0.958 . . . . 0.0 113.435 171.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 131.0 35.66 0.38 Allowed Glycine 0 CA--C 1.536 1.393 0 N-CA-C 117.032 1.573 . . . . 0.0 117.032 169.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 37.8 t -143.74 -75.99 0.24 Allowed 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 119.054 1.427 . . . . 0.0 109.093 178.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 70.0 mtp180 -148.23 162.56 39.22 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 127.64 2.376 . . . . 0.0 109.88 169.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 78.9 t -127.8 150.76 33.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 126.557 1.943 . . . . 0.0 109.219 169.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.65 97.18 2.59 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.612 1.565 . . . . 0.0 110.091 175.445 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 48.5 t -122.49 133.32 69.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 126.084 1.754 . . . . 0.0 110.678 -168.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -145.02 167.75 21.92 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.172 0.989 . . . . 0.0 111.713 -176.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 22.1 tp -79.94 139.09 37.2 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 167.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 N--CA 1.468 0.446 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 -172.526 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 . . . . . 0 CA--C 1.549 0.909 0 CA-C-O 120.859 0.361 . . . . 0.0 111.565 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.486 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 83.2 m-85 -126.07 157.53 37.73 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 127.799 2.44 . . . . 0.0 108.914 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -111.36 162.57 14.9 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.079 1.352 . . . . 0.0 111.745 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.589 HD22 ' HB3' ' A' ' 30' ' ' PHE . 14.6 tp -143.64 140.88 30.33 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 126.782 2.033 . . . . 0.0 111.252 173.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mp -119.9 106.95 19.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 126.408 1.883 . . . . 0.0 109.403 172.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.51 HD21 HD21 ' A' ' 5' ' ' LEU . 73.9 mt -77.54 75.24 4.09 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 126.285 1.834 . . . . 0.0 109.258 169.158 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 . . . . . 0 CA--C 1.562 1.409 0 C-N-CA 125.599 1.56 . . . . 0.0 114.302 172.485 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.718 0 N-CA-C 120.248 3.425 . . . . 0.0 120.248 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -175.57 -166.22 32.81 Favored Glycine 0 CA--C 1.528 0.895 0 N-CA-C 117.058 1.583 . . . . 0.0 117.058 169.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -130.69 163.23 27.69 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 118.913 1.357 . . . . 0.0 113.792 -168.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.4 t -157.5 -176.61 6.05 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.553 1.541 . . . . 0.0 110.777 169.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.1 p -143.14 169.5 17.47 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 126.352 1.861 . . . . 0.0 110.538 174.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.8 t -157.93 149.2 21.31 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.27 -0.893 . . . . 0.0 111.76 172.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.0 tp10 -75.08 119.11 18.79 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 106.955 -1.498 . . . . 0.0 106.955 167.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.421 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -138.75 175.99 9.08 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.529 1.531 . . . . 0.0 112.453 178.649 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 49.4 t -83.69 -39.07 14.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 O-C-N 121.426 -0.796 . . . . 0.0 111.752 171.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.486 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 3.3 t70 173.63 -155.9 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 131.272 3.829 . . . . 0.0 106.656 174.278 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.5 -19.79 2.49 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 120.625 1.557 . . . . 0.0 113.874 169.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.44 -7.49 19.86 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.559 1.144 . . . . 0.0 113.674 172.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.421 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 54.9 m -137.56 -38.26 0.6 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.993 1.717 . . . . 0.0 112.095 175.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.43 -38.95 88.54 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.019 1.328 . . . . 0.0 110.914 177.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -74.97 4.36 6.73 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 177.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.406 ' HE3' HG23 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -131.97 19.42 4.55 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 125.172 1.389 . . . . 0.0 111.546 171.198 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.406 HG23 ' HE3' ' A' ' 28' ' ' LYS . 3.5 t -119.92 -51.37 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 124.875 1.27 . . . . 0.0 110.3 176.265 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.589 ' HB3' HD22 ' A' ' 5' ' ' LEU . 23.4 m-85 -60.92 -26.89 67.8 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.303 0.482 . . . . 0.0 112.303 176.515 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -54.53 -32.29 57.94 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.833 1.253 . . . . 0.0 113.0 171.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -77.53 -51.13 11.22 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 118.589 0.631 . . . . 0.0 110.848 176.254 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 94.0 t80 -60.11 -43.78 95.35 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 124.089 0.955 . . . . 0.0 112.336 -178.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.93 -49.85 74.37 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.964 0.906 . . . . 0.0 110.745 176.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -67.4 -23.83 65.6 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 178.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . 0.324 1.4 p30 -87.39 -15.29 38.25 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 120.282 1.401 . . . . 0.0 114.069 175.489 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -84.0 -46.98 11.46 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 166.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 133.46 -0.63 4.29 Favored Glycine 0 CA--C 1.541 1.693 0 C-N-CA 128.936 3.16 . . . . 0.0 115.627 172.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.1 t -77.72 155.23 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 125.063 1.345 . . . . 0.0 112.763 176.045 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -166.25 39.78 0.05 Allowed 'General case' 0 CA--C 1.559 1.32 0 C-N-CA 125.141 1.376 . . . . 0.0 111.729 169.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.92 -145.4 0.49 Allowed Glycine 0 CA--C 1.544 1.903 0 N-CA-C 118.11 2.004 . . . . 0.0 118.11 -176.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -72.16 89.07 1.15 Allowed 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.888 1.675 . . . . 0.0 112.44 -177.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 90.2 m95 -65.55 112.59 3.68 Favored 'General case' 0 C--O 1.236 0.344 0 O-C-N 120.058 -1.651 . . . . 0.0 110.543 -176.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 38.9 m -132.91 160.56 36.66 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 127.465 2.306 . . . . 0.0 108.559 -169.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -156.68 165.54 35.97 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.168 1.387 . . . . 0.0 111.097 -171.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -143.24 157.06 44.82 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.399 1.88 . . . . 0.0 110.494 -174.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.416 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 28.1 t70 -127.79 1.43 6.06 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 -176.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -88.73 -30.58 18.97 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.506 1.122 . . . . 0.0 109.949 169.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -130.96 -7.57 3.93 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 -174.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.416 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 1.2 mmpt? 60.38 46.13 10.28 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.268 1.827 . . . . 0.0 112.56 178.53 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 82.1 m -119.58 110.99 17.52 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.022 0.929 . . . . 0.0 111.534 -172.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -64.97 157.56 27.9 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.817 0.847 . . . . 0.0 111.332 169.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 35.3 m -147.59 149.58 32.82 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.237 1.415 . . . . 0.0 108.202 171.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.441 ' CG1' HD23 ' A' ' 7' ' ' LEU 0.269 14.5 p -148.33 79.24 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 CA-C-O 123.179 1.466 . . . . 0.0 111.61 -175.538 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.4 m . . . . . 0 N--CA 1.473 0.677 0 C-N-CA 125.274 1.43 . . . . 0.0 111.873 -176.727 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 40.2 mmtm . . . . . 0 CA--C 1.531 0.226 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 63.6 t -130.74 139.15 51.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 124.635 1.174 . . . . 0.0 111.12 -170.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -93.2 147.77 22.6 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 126.412 1.885 . . . . 0.0 110.032 169.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.489 HG13 ' HB3' ' A' ' 113' ' ' ALA . 0.4 OUTLIER -147.85 131.35 8.6 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.296 0 CA-C-O 121.431 0.634 . . . . 0.0 111.144 169.66 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.892 0 O-C-N 121.298 -0.876 . . . . 0.0 114.335 -179.822 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 20.1 pttp . . . . . 0 C--O 1.217 -0.639 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 21.7 m -43.5 -57.9 2.88 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 126.306 1.842 . . . . 0.0 114.132 -170.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.77 -59.36 4.66 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 122.578 0.351 . . . . 0.0 110.682 -177.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.1 pp -63.03 -33.66 75.91 Favored 'General case' 0 C--O 1.218 -0.568 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -175.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -58.83 -48.37 81.56 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 126.418 1.887 . . . . 0.0 111.419 175.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -34.43 70.97 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 118.413 -0.803 . . . . 0.0 112.127 172.423 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.0 -39.42 92.18 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 119.419 1.009 . . . . 0.0 111.701 178.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.502 ' CD2' HG21 ' A' ' 115' ' ' VAL . 11.1 m-85 -75.26 -62.08 1.68 Allowed 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 126.317 1.847 . . . . 0.0 111.747 176.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -63.68 -13.52 51.66 Favored Glycine 0 CA--C 1.544 1.858 0 N-CA-C 115.293 0.877 . . . . 0.0 115.293 -178.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -54.98 -48.35 73.38 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 118.999 1.399 . . . . 0.0 111.662 167.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -65.5 -47.74 74.96 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.495 0.718 . . . . 0.0 109.544 172.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 176.14 160.46 23.56 Favored Glycine 0 N--CA 1.478 1.444 0 N-CA-C 115.652 1.021 . . . . 0.0 115.652 169.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -47.58 139.13 18.38 Favored 'Trans proline' 0 CA--C 1.537 0.65 0 C-N-CA 124.079 3.186 . . . . 0.0 116.718 -168.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.464 HD22 HG22 ' A' ' 103' ' ' VAL . 0.2 OUTLIER -117.93 150.89 38.47 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.844 1.257 . . . . 0.0 113.373 173.537 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -94.45 -37.92 11.19 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 127.068 2.147 . . . . 0.0 112.723 -169.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.1 m -140.58 144.38 35.82 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.855 1.262 . . . . 0.0 110.415 175.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.464 HG22 HD22 ' A' ' 100' ' ' LEU . 1.8 t -143.29 131.43 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 125.436 1.494 . . . . 0.0 107.169 -178.407 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 85.1 t90 -147.1 147.91 31.06 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.998 0.919 . . . . 0.0 112.257 -168.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 1.4 m -141.97 153.11 18.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 O-C-N 121.593 -0.692 . . . . 0.0 109.604 169.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.654 0 N-CA-C 114.584 1.327 . . . . 0.0 114.584 -170.758 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.545 0.766 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.489 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -164.36 178.28 7.61 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 114.927 1.454 . . . . 0.0 114.927 -165.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -147.22 166.11 28.0 Favored 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 176.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.502 HG21 ' CD2' ' A' ' 94' ' ' PHE . 1.5 t -152.06 165.84 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 C-N-CA 126.439 1.896 . . . . 0.0 112.919 -173.474 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 56.4 tt0 -140.88 117.01 10.57 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 127.684 2.393 . . . . 0.0 108.105 167.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.4 ' CZ ' ' HB3' ' A' ' 94' ' ' PHE . 33.8 m-85 -79.58 159.0 27.0 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 119.692 1.133 . . . . 0.0 113.025 173.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -71.86 -19.25 61.99 Favored 'General case' 0 CA--C 1.548 0.875 0 O-C-N 121.455 -0.778 . . . . 0.0 112.151 174.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -137.67 124.78 13.68 Favored Pre-proline 0 CA--C 1.549 0.908 0 C-N-CA 126.975 2.11 . . . . 0.0 108.895 179.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -60.27 -24.84 78.56 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 122.651 2.234 . . . . 0.0 113.522 177.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -70.88 -31.33 67.96 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.049 0.84 . . . . 0.0 111.904 171.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -70.63 -40.1 73.3 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 120.004 1.275 . . . . 0.0 111.813 169.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.45 -43.0 83.57 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 119.152 0.887 . . . . 0.0 111.577 169.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.07 -48.75 75.0 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.163 0.585 . . . . 0.0 112.413 176.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -59.62 -42.34 92.47 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.288 1.035 . . . . 0.0 112.473 176.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.39 -54.97 24.44 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 118.83 -0.605 . . . . 0.0 109.694 177.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 37.5 t -50.89 -48.36 28.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 124.373 1.069 . . . . 0.0 112.472 175.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 7.1 ppt_? -69.45 -22.1 63.67 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 -176.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -111.27 -9.95 14.28 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 178.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 39.4 mt -90.02 -45.09 9.41 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.49 1.516 . . . . 0.0 112.499 172.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -61.43 130.05 44.15 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 113.704 1.002 . . . . 0.0 113.704 -169.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 65.43 38.39 94.83 Favored Glycine 0 CA--C 1.533 1.193 0 CA-C-O 119.129 -0.817 . . . . 0.0 114.533 169.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 22.7 mmt-85 -118.02 -56.97 2.14 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-N 118.28 1.04 . . . . 0.0 113.734 -173.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 16.9 m 138.07 128.08 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.13 1 C-N-CA 132.756 4.422 . . . . 0.0 107.859 -171.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -161.64 135.99 6.95 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 104.339 -2.467 . . . . 0.0 104.339 174.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 10.9 t 61.52 -62.91 0.09 Allowed 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 126.287 1.835 . . . . 0.0 111.027 -167.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 173.65 27.97 0.03 OUTLIER Glycine 0 CA--C 1.53 1.002 0 C-N-CA 124.926 1.251 . . . . 0.0 115.02 168.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -140.4 -169.75 2.84 Favored 'General case' 0 CA--C 1.55 0.975 0 CA-C-N 118.237 1.018 . . . . 0.0 112.37 -169.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.21 3.97 19.03 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 114.843 1.423 . . . . 0.0 114.843 -168.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . 0.27 3.6 p 36.34 70.79 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 128.748 2.819 . . . . 0.0 111.815 174.297 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.15 89.25 0.18 Allowed 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.774 2.029 . . . . 0.0 110.625 176.5 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 95.8 t -123.64 127.48 74.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 -171.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -153.24 167.75 28.28 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 121.211 -0.93 . . . . 0.0 111.869 -171.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 84.0 mt -75.51 134.2 40.84 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 120.514 -1.366 . . . . 0.0 109.245 169.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.467 0.4 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 -172.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 . . . . . 0 CA--C 1.544 0.715 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.455 ' CD1' ' HB3' ' A' ' 20' ' ' ALA . 57.5 m-85 -125.14 159.73 30.8 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 127.72 2.408 . . . . 0.0 108.828 -178.454 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -111.24 160.81 16.63 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.941 1.296 . . . . 0.0 111.53 -179.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.499 HD11 ' HG ' ' A' ' 7' ' ' LEU . 1.1 tm? -146.27 137.22 24.35 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 126.202 1.801 . . . . 0.0 110.872 175.049 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mp -112.4 121.0 63.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 126.368 1.867 . . . . 0.0 110.767 172.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.499 ' HG ' HD11 ' A' ' 5' ' ' LEU . 3.1 mp -87.75 66.48 8.85 Favored 'General case' 0 C--O 1.223 -0.301 0 C-N-CA 127.131 2.172 . . . . 0.0 109.87 178.083 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.405 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 14.4 t30 . . . . . 0 CA--C 1.553 1.094 0 C-N-CA 127.095 2.158 . . . . 0.0 115.185 -173.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.235 0.311 0 N-CA-C 117.275 2.324 . . . . 0.0 117.275 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -168.65 -152.48 7.72 Favored Glycine 0 CA--C 1.527 0.806 0 CA-C-N 113.959 -1.473 . . . . 0.0 116.573 170.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -156.75 157.21 34.67 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.728 1.611 . . . . 0.0 112.318 -179.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.7 t -155.65 -173.82 4.7 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 126.054 1.742 . . . . 0.0 109.749 176.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 54.6 p -140.61 169.74 17.08 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.703 1.601 . . . . 0.0 110.609 176.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.595 HG21 ' CG1' ' A' ' 29' ' ' VAL . 3.6 t -153.9 151.47 29.51 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.989 0.916 . . . . 0.0 111.456 178.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -80.94 122.79 27.69 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 168.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.455 ' HB3' ' CD1' ' A' ' 3' ' ' TYR . . . -143.71 172.57 12.64 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.697 1.199 . . . . 0.0 114.159 -178.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.8 t -97.38 -15.72 7.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 124.302 1.041 . . . . 0.0 112.689 175.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.453 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR 0.253 3.4 t70 150.54 -157.67 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.554 1 C-N-CA 133.817 4.847 . . . . 0.0 107.329 173.615 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.53 -20.57 3.04 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 120.982 1.719 . . . . 0.0 114.016 171.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.33 -9.1 21.7 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.658 1.183 . . . . 0.0 113.677 172.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.422 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 85.9 m -136.14 -39.05 0.68 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.762 1.625 . . . . 0.0 112.395 176.602 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.457 ' HA ' HG12 ' A' ' 29' ' ' VAL . . . -67.6 -37.61 82.8 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.849 1.26 . . . . 0.0 110.754 179.242 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -74.73 3.14 8.46 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 177.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.87 20.88 3.52 Favored 'General case' 0 N--CA 1.464 0.244 0 O-C-N 120.669 -1.27 . . . . 0.0 112.003 175.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.595 ' CG1' HG21 ' A' ' 18' ' ' THR . 3.4 p -124.96 -41.55 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 124.248 1.019 . . . . 0.0 112.222 176.269 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.424 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.6 m-85 -67.95 -28.12 67.19 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 124.341 1.056 . . . . 0.0 113.026 173.491 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -55.27 -32.3 62.27 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.586 1.155 . . . . 0.0 113.054 175.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -81.93 -49.6 10.11 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.816 0.846 . . . . 0.0 110.492 179.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -62.04 -42.01 98.73 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.241 1.017 . . . . 0.0 112.137 -179.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.35 -49.84 75.99 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.884 0.874 . . . . 0.0 111.831 177.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -64.78 -22.99 67.1 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 175.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -79.47 -28.29 41.53 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 119.398 0.999 . . . . 0.0 113.034 176.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 52.4 m-80 -78.27 -42.48 30.87 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 167.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.91 -2.03 6.33 Favored Glycine 0 CA--C 1.533 1.174 0 C-N-CA 128.415 2.912 . . . . 0.0 115.269 169.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.1 t -75.91 140.66 16.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 CA-C-N 118.656 1.228 . . . . 0.0 110.023 176.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -161.29 62.48 0.27 Allowed 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 122.69 1.233 . . . . 0.0 113.54 168.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.403 ' H ' HG22 ' A' ' 54' ' ' VAL . . . -82.56 -153.75 13.37 Favored Glycine 0 CA--C 1.535 1.282 0 C-N-CA 125.495 1.522 . . . . 0.0 116.41 174.325 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.22 134.72 55.32 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.191 1.396 . . . . 0.0 109.948 170.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 75.7 m95 -99.34 120.09 39.01 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.989 0.915 . . . . 0.0 112.077 -177.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.83 159.46 23.03 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 127.889 2.476 . . . . 0.0 109.951 -173.638 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -156.38 165.61 35.82 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.138 1.375 . . . . 0.0 111.189 -176.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -145.59 160.61 41.4 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.452 1.901 . . . . 0.0 110.585 -175.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.434 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 29.6 t70 -129.67 0.33 4.91 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 -178.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -85.42 -28.73 24.9 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 121.575 -0.703 . . . . 0.0 110.648 169.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.2 p -134.15 -11.48 2.54 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.371 1.468 . . . . 0.0 113.064 -171.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.434 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 0.9 OUTLIER 63.18 45.8 4.93 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 126.191 1.796 . . . . 0.0 112.543 178.491 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 96.8 m -115.13 107.91 15.94 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.45 1.1 . . . . 0.0 111.776 -173.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -66.73 163.84 18.3 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 122.301 1.048 . . . . 0.0 110.69 168.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 51.6 m -148.57 154.23 39.47 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.093 1.357 . . . . 0.0 107.851 169.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.403 HG22 ' H ' ' A' ' 41' ' ' GLY . 12.8 p -133.81 105.28 7.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 C-N-CA 125.195 1.398 . . . . 0.0 109.759 172.43 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.405 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 79.2 m . . . . . 0 N--CA 1.475 0.813 0 C-N-CA 124.03 0.932 . . . . 0.0 112.1 -169.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.47 0.556 0 N-CA-C 110.592 -0.151 . . . . 0.0 110.592 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 92.5 t -103.11 135.22 41.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 124.131 0.972 . . . . 0.0 110.352 -170.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -93.35 149.91 20.87 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 124.765 1.226 . . . . 0.0 110.104 169.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.472 HG13 ' HB3' ' A' ' 113' ' ' ALA . 0.5 OUTLIER -151.9 145.43 15.92 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.281 0 CA-C-O 122.503 1.144 . . . . 0.0 112.241 171.734 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.83 0 N-CA-C 109.143 -1.583 . . . . 0.0 109.143 168.397 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.5 ptmm? . . . . . 0 N--CA 1.465 0.317 0 N-CA-C 115.804 1.779 . . . . 0.0 115.804 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.9 m -71.8 -34.75 69.63 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 116.108 1.892 . . . . 0.0 116.108 -167.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -68.48 -48.32 64.78 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 120.562 1.528 . . . . 0.0 110.732 175.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.4 pp -64.85 -33.82 76.92 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 119.57 -0.852 . . . . 0.0 111.82 176.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -57.99 -50.32 73.79 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.011 1.324 . . . . 0.0 112.12 175.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.6 -40.82 93.1 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 119.056 0.843 . . . . 0.0 110.878 174.111 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.21 -42.95 96.22 Favored 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 123.354 0.661 . . . . 0.0 111.795 -178.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.437 ' HB3' ' CZ ' ' A' ' 117' ' ' PHE . 11.7 m-85 -72.05 -62.77 1.31 Allowed 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 125.049 1.34 . . . . 0.0 112.104 175.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -56.31 -20.73 30.46 Favored Glycine 0 CA--C 1.545 1.948 0 N-CA-C 115.415 0.926 . . . . 0.0 115.415 -178.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -53.76 -51.14 64.34 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.796 1.638 . . . . 0.0 113.016 168.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -70.06 -40.75 74.87 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.647 0.779 . . . . 0.0 111.348 178.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -174.35 163.82 34.67 Favored Glycine 0 N--CA 1.472 1.098 0 CA-C-O 118.625 -1.097 . . . . 0.0 113.816 169.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -65.11 128.65 21.05 Favored 'Trans proline' 0 CA--C 1.533 0.442 0 CA-C-N 120.852 2.326 . . . . 0.0 114.36 -168.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.529 HD13 ' CG2' ' A' ' 103' ' ' VAL . 16.7 mt -65.04 154.31 38.15 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.506 1.522 . . . . 0.0 112.156 170.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -108.81 -31.11 7.82 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 126.432 1.893 . . . . 0.0 111.113 171.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 11.5 p -155.64 155.76 33.82 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.472 1.109 . . . . 0.0 111.565 168.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.529 ' CG2' HD13 ' A' ' 100' ' ' LEU . 67.6 t -138.3 135.38 44.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 125.281 1.432 . . . . 0.0 108.677 172.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 83.5 t90 -144.92 142.89 30.24 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 125.045 1.338 . . . . 0.0 111.342 -178.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.439 HG12 ' HB1' ' A' ' 113' ' ' ALA . 1.8 m -141.0 149.94 20.55 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 168.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.666 0 N-CA-C 116.284 1.957 . . . . 0.0 116.284 -169.198 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.552 1.027 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.472 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -170.33 174.81 5.1 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 125.686 1.594 . . . . 0.0 113.108 -167.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -147.83 150.2 33.73 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 113.234 0.827 . . . . 0.0 113.234 172.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.424 HG11 ' CD2' ' A' ' 94' ' ' PHE . 11.4 m -140.24 172.74 11.51 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.302 0 O-C-N 120.99 -1.069 . . . . 0.0 113.759 177.49 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -140.97 144.86 35.35 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 126.554 1.941 . . . . 0.0 108.504 171.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.437 ' CZ ' ' HB3' ' A' ' 94' ' ' PHE . 42.2 m-85 -116.04 158.27 23.4 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.352 1.061 . . . . 0.0 112.911 178.216 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 25.4 tp10 -74.49 -37.03 63.26 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -176.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -115.12 127.75 26.55 Favored Pre-proline 0 CA--C 1.544 0.744 0 C-N-CA 125.002 1.321 . . . . 0.0 107.804 169.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -49.09 -27.69 12.7 Favored 'Trans proline' 0 CA--C 1.537 0.671 0 C-N-CA 123.563 2.842 . . . . 0.0 114.698 169.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -26.81 65.42 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.064 0.946 . . . . 0.0 113.072 171.569 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -66.35 -47.26 74.03 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 119.473 1.033 . . . . 0.0 109.815 169.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.27 -39.84 88.25 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.207 0.603 . . . . 0.0 111.697 174.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.94 -48.52 73.8 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.496 0.719 . . . . 0.0 112.657 175.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -56.13 -45.9 79.41 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 119.228 0.922 . . . . 0.0 111.126 173.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.73 -58.25 8.77 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 124.164 0.985 . . . . 0.0 110.226 -179.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 39.2 t -51.36 -42.56 27.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 124.832 1.253 . . . . 0.0 112.318 175.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -65.68 -23.98 66.9 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.084 1.354 . . . . 0.0 113.762 -179.071 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -111.94 -14.2 13.52 Favored 'General case' 0 CA--C 1.552 1.044 0 N-CA-C 115.076 1.51 . . . . 0.0 115.076 173.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 73.9 mt -102.2 -4.98 24.91 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.124 1.77 . . . . 0.0 115.095 -174.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -56.73 168.77 0.56 Allowed 'General case' 0 CA--C 1.55 0.955 0 CA-C-N 119.549 1.068 . . . . 0.0 113.387 174.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -34.12 16.11 0.0 OUTLIER Glycine 0 N--CA 1.492 2.369 2 C-N-CA 133.29 5.233 . . . . 0.0 124.504 -172.132 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 31.9 mtt180 -69.87 -65.22 0.75 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 129.584 3.154 . . . . 0.0 109.512 177.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.3 t 170.73 173.51 0.07 Allowed 'General case' 0 CA--C 1.539 0.536 1 C-N-CA 132.423 4.289 . . . . 0.0 109.002 169.324 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 57.6 tp -149.91 -58.96 0.2 Allowed 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.328 1.051 . . . . 0.0 111.519 169.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 71.6 m -75.09 -17.12 60.51 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 175.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 114.94 31.47 2.08 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 124.657 1.122 . . . . 0.0 115.515 169.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 44.9 t -149.36 -73.75 0.17 Allowed 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 117.98 0.89 . . . . 0.0 109.731 169.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -126.66 158.78 35.47 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 126.093 1.757 . . . . 0.0 113.257 170.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 3.7 p -143.37 163.52 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.877 1.271 . . . . 0.0 110.85 167.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 35.4 mtp180 -143.37 132.57 23.17 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 129.315 3.046 . . . . 0.0 105.703 168.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 73.5 t -148.26 116.72 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-N 120.023 1.283 . . . . 0.0 108.371 173.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -142.53 -170.15 3.14 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.595 1.158 . . . . 0.0 110.562 -169.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 77.6 mt -103.03 146.68 27.99 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 120.765 -1.209 . . . . 0.0 109.245 168.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 58.7 m . . . . . 0 N--CA 1.468 0.43 0 C-N-CA 124.569 1.148 . . . . 0.0 113.553 -174.9 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 . . . . . 0 N--CA 1.473 0.684 0 CA-C-O 121.277 0.561 . . . . 0.0 112.286 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.455 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 94.5 m-85 -127.62 152.64 47.4 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 127.28 2.232 . . . . 0.0 108.799 -177.675 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -109.46 164.77 12.2 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.776 1.23 . . . . 0.0 111.638 -179.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.519 HD11 ' CD2' ' A' ' 7' ' ' LEU . 1.4 tm? -147.71 138.08 23.06 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 127.152 2.181 . . . . 0.0 110.717 178.141 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.6 mp -118.43 114.43 45.0 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 C-N-CA 126.652 1.981 . . . . 0.0 110.728 172.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.519 ' CD2' HD11 ' A' ' 5' ' ' LEU . 80.9 mt -85.84 67.65 10.1 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 126.896 2.078 . . . . 0.0 111.342 172.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 39.8 m-20 . . . . . 0 CA--C 1.56 1.333 0 O-C-N 120.775 -1.203 . . . . 0.0 114.174 173.954 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.47 0.568 0 N-CA-C 115.025 1.491 . . . . 0.0 115.025 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -163.68 -164.18 18.21 Favored Glycine 0 CA--C 1.521 0.416 0 N-CA-C 116.79 1.476 . . . . 0.0 116.79 171.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -157.54 159.75 37.48 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 126.122 1.769 . . . . 0.0 111.406 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.4 t -154.77 -175.95 5.68 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 125.736 1.615 . . . . 0.0 109.94 174.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 72.9 p -141.1 170.64 15.34 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 125.68 1.592 . . . . 0.0 110.302 174.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.4 t -157.05 153.53 28.06 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 121.327 -0.858 . . . . 0.0 111.827 172.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -81.37 120.13 24.57 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 167.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -143.24 175.45 9.88 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.915 1.686 . . . . 0.0 112.403 -176.043 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 66.3 t -77.83 -47.47 25.37 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 O-C-N 121.481 -0.762 . . . . 0.0 110.476 169.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.455 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 4.0 t70 176.32 -158.02 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 130.33 3.452 . . . . 0.0 106.412 -177.595 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.02 -20.2 2.29 Favored 'General case' 0 CA--C 1.547 0.853 0 O-C-N 120.239 -1.538 . . . . 0.0 113.957 169.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.4 -8.28 24.76 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.087 1.355 . . . . 0.0 113.821 173.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.3 m -137.69 -36.26 0.63 Allowed 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.802 1.641 . . . . 0.0 112.28 175.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.55 -37.38 87.37 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.779 1.231 . . . . 0.0 110.758 176.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -74.82 4.39 6.49 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 178.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.406 ' HE2' HG23 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -132.48 16.81 4.42 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 120.426 -1.421 . . . . 0.0 111.869 173.743 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.406 HG23 ' HE2' ' A' ' 28' ' ' LYS . 3.8 t -118.14 -51.23 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 125.36 1.464 . . . . 0.0 110.243 178.142 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -62.46 -25.72 68.14 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 177.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -57.31 -27.03 61.81 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.97 1.708 . . . . 0.0 113.537 174.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -79.39 -57.74 3.55 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 175.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -57.4 -41.4 80.22 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.916 0.886 . . . . 0.0 112.67 -177.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.17 -49.28 78.24 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 124.157 0.983 . . . . 0.0 112.532 179.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -65.01 -25.31 67.8 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 178.17 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -80.91 -27.87 36.07 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 59.8 m-80 -81.17 -37.74 28.25 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 168.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.3 9.64 10.28 Favored Glycine 0 CA--C 1.534 1.27 0 C-N-CA 127.911 2.672 . . . . 0.0 115.681 169.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 60.6 t -84.94 149.83 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 124.376 1.07 . . . . 0.0 110.574 170.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -161.69 32.7 0.13 Allowed 'General case' 0 CA--C 1.555 1.138 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 169.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.08 -131.69 0.38 Allowed Glycine 0 CA--C 1.545 1.968 0 N-CA-C 117.364 1.705 . . . . 0.0 117.364 -173.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.417 ' HG2' ' H ' ' A' ' 55' ' ' THR . 7.8 pt-20 -69.7 81.5 0.43 Allowed 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.111 1.364 . . . . 0.0 113.126 -174.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 72.5 m95 -60.4 108.22 0.78 Allowed 'General case' 0 N--CA 1.466 0.345 0 O-C-N 120.191 -1.568 . . . . 0.0 110.449 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.82 164.41 20.08 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 126.607 1.963 . . . . 0.0 111.271 -172.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -149.27 156.95 42.9 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.095 1.358 . . . . 0.0 110.657 175.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -126.78 124.07 38.86 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 125.233 1.413 . . . . 0.0 108.355 171.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.482 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.8 OUTLIER -84.77 -7.07 59.34 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 114.104 1.15 . . . . 0.0 114.104 -173.377 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -101.41 -29.05 12.24 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.333 1.453 . . . . 0.0 112.097 -177.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.8 t -113.22 2.05 15.45 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.496 0.718 . . . . 0.0 112.839 171.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.482 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 4.6 mmpt? 53.95 40.38 31.52 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.009 1.724 . . . . 0.0 112.47 169.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 73.0 m -125.12 114.23 18.76 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.047 1.339 . . . . 0.0 110.096 -170.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -67.47 161.19 25.95 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.538 1.135 . . . . 0.0 111.889 169.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.0 m -146.09 158.95 43.89 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 125.546 1.539 . . . . 0.0 107.834 169.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.5 ' CG1' HD23 ' A' ' 7' ' ' LEU . 14.3 p -153.98 94.15 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 124.979 1.312 . . . . 0.0 110.087 176.291 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.417 ' H ' ' HG2' ' A' ' 42' ' ' GLU . 28.9 m . . . . . 0 N--CA 1.475 0.786 0 C-N-CA 124.191 0.996 . . . . 0.0 110.95 -178.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 36.4 mttm . . . . . 0 N--CA 1.467 0.398 0 N-CA-C 108.793 -0.818 . . . . 0.0 108.793 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . 0.252 0.2 OUTLIER -145.12 162.49 13.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 CA-C-O 122.83 1.3 . . . . 0.0 111.002 -169.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -125.51 145.54 50.05 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 128.414 2.686 . . . . 0.0 109.211 -175.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.498 HG13 ' HB3' ' A' ' 113' ' ' ALA . 2.9 p -143.18 136.69 25.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 122.925 0.49 . . . . 0.0 110.83 170.18 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.7 0 N-CA-C 117.259 1.664 . . . . 0.0 117.259 178.62 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.7 ptmm? . . . . . 0 N--CA 1.473 0.698 0 N-CA-C 116.565 2.061 . . . . 0.0 116.565 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 37.6 m -45.38 -49.18 13.27 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 126.165 1.786 . . . . 0.0 114.802 -170.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -75.97 -46.81 27.72 Favored 'General case' 0 CA--C 1.533 0.304 0 O-C-N 121.328 -0.857 . . . . 0.0 111.964 -177.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.413 HD12 ' N ' ' A' ' 91' ' ' GLU . 3.4 pp -64.4 -29.73 70.78 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 119.19 0.905 . . . . 0.0 112.042 176.738 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.413 ' N ' HD12 ' A' ' 90' ' ' LEU . 27.0 tt0 -67.22 -43.5 81.87 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.818 1.647 . . . . 0.0 111.7 176.547 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.3 ppt_? -68.81 -36.93 78.83 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 119.443 1.019 . . . . 0.0 111.27 169.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.14 -37.27 86.54 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 119.337 0.972 . . . . 0.0 111.958 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.419 ' CZ ' HG11 ' A' ' 115' ' ' VAL . 7.4 m-85 -72.75 -65.18 0.83 Allowed 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 125.624 1.57 . . . . 0.0 111.489 172.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.49 -14.79 29.43 Favored Glycine 0 CA--C 1.543 1.824 0 N-CA-C 115.991 1.156 . . . . 0.0 115.991 -178.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -54.14 -48.51 70.76 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.729 1.612 . . . . 0.0 111.827 167.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -64.91 -49.41 70.55 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.641 0.776 . . . . 0.0 109.44 172.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 176.03 166.32 33.22 Favored Glycine 0 N--CA 1.473 1.163 0 N-CA-C 115.741 1.057 . . . . 0.0 115.741 169.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -48.89 151.54 5.43 Favored 'Trans proline' 0 CA--C 1.535 0.539 0 C-N-CA 123.981 3.121 . . . . 0.0 117.943 -168.181 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.404 ' CD2' HG23 ' A' ' 115' ' ' VAL . 13.6 mt -116.23 132.88 56.54 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 127.443 2.297 . . . . 0.0 109.68 -170.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 85.8 mtm-85 -81.43 -35.84 30.15 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.265 0.626 . . . . 0.0 112.46 170.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.7 m -158.52 155.92 29.29 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.742 1.217 . . . . 0.0 112.155 175.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 88.4 t -141.76 134.05 28.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 C-N-CA 125.988 1.715 . . . . 0.0 106.901 169.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 80.6 t90 -136.06 133.91 37.89 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 125.252 1.421 . . . . 0.0 109.3 -177.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.59 HG12 ' HB1' ' A' ' 113' ' ' ALA . 2.4 m -137.58 143.88 32.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 O-C-N 121.428 -0.795 . . . . 0.0 110.575 179.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.564 0 C-N-CA 123.371 0.669 . . . . 0.0 110.192 179.216 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . 0.255 0.2 OUTLIER . . . . . 0 CA--C 1.54 0.565 0 CA-C-O 121.711 0.767 . . . . 0.0 112.843 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.59 ' HB1' HG12 ' A' ' 105' ' ' VAL . . . -164.68 163.97 21.47 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.922 2.089 . . . . 0.0 111.082 -169.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -133.59 156.78 47.23 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.121 1.369 . . . . 0.0 110.863 -178.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.419 HG11 ' CZ ' ' A' ' 94' ' ' PHE . 0.8 OUTLIER -154.65 151.34 10.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 O-C-N 121.386 -0.821 . . . . 0.0 112.074 -168.708 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 53.4 tt0 -138.45 114.11 9.79 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.026 1.33 . . . . 0.0 109.988 169.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -79.68 160.74 26.19 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.634 1.174 . . . . 0.0 113.386 176.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -67.28 -31.74 72.26 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.54 0.736 . . . . 0.0 112.706 171.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -129.57 124.88 22.14 Favored Pre-proline 0 CA--C 1.547 0.844 0 C-N-CA 126.144 1.778 . . . . 0.0 109.589 -174.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -48.57 -29.89 15.01 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 123.609 2.873 . . . . 0.0 114.85 170.255 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -77.04 -27.6 54.54 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.824 0.85 . . . . 0.0 112.63 175.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -68.55 -43.06 77.46 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 120.27 1.396 . . . . 0.0 110.263 168.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.63 -37.46 78.71 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 118.886 -0.578 . . . . 0.0 112.267 169.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.06 -46.31 81.71 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 119.634 1.106 . . . . 0.0 112.823 174.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -57.31 -42.12 81.21 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.166 0.894 . . . . 0.0 111.79 174.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.511 ' HB1' HD12 ' A' ' 130' ' ' LEU . . . -61.71 -52.83 62.66 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.5 0.72 . . . . 0.0 111.486 172.064 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 38.1 t -58.8 -15.8 7.14 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 126.379 1.872 . . . . 0.0 114.272 175.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.76 9.09 12.88 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 125.512 1.525 . . . . 0.0 114.838 178.238 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -135.62 -28.87 1.08 Allowed 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 115.397 1.628 . . . . 0.0 115.397 168.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.511 HD12 ' HB1' ' A' ' 126' ' ' ALA . 96.1 mt -85.5 -9.51 57.33 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.432 1.493 . . . . 0.0 113.216 176.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -68.23 162.83 24.13 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.575 1.95 . . . . 0.0 115.99 -175.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 41.88 -11.53 0.0 OUTLIER Glycine 0 N--CA 1.478 1.457 2 N-CA-C 124.543 4.577 . . . . 0.0 124.543 168.249 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 48.1 mtm-85 -106.91 -78.09 0.59 Allowed 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 121.087 2.443 . . . . 0.0 110.81 -169.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -176.0 176.33 1.79 Allowed 'General case' 0 C--O 1.235 0.313 0 C-N-CA 128.785 2.834 . . . . 0.0 108.727 176.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -151.78 -58.27 0.15 Allowed 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.559 0.744 . . . . 0.0 110.767 172.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 47.6 t -86.34 -51.21 6.38 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.181 0.593 . . . . 0.0 110.546 173.108 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 160.64 57.19 0.01 OUTLIER Glycine 0 C--N 1.343 0.972 0 N-CA-C 115.841 1.097 . . . . 0.0 115.841 175.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 8.2 t -145.3 -129.39 0.08 Allowed 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.441 1.096 . . . . 0.0 111.894 171.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.62 59.07 1.71 Allowed 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 127.223 2.209 . . . . 0.0 109.648 -174.059 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -58.05 159.59 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 C-N-CA 128.312 2.645 . . . . 0.0 113.748 -169.302 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.16 143.84 23.57 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 128.223 2.609 . . . . 0.0 107.492 177.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 95.7 t -142.63 128.81 17.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 N-CA-C 107.853 -1.166 . . . . 0.0 107.853 -169.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -138.54 169.6 17.51 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 119.139 0.881 . . . . 0.0 111.565 -178.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -104.82 151.76 23.42 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 120.915 -1.116 . . . . 0.0 111.772 176.401 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.6 p . . . . . 0 N--CA 1.476 0.856 0 C-N-CA 128.178 2.591 . . . . 0.0 116.392 -173.06 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 . . . . . 0 CA--C 1.545 0.765 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.444 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 85.3 m-85 -126.8 156.52 41.14 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 127.791 2.436 . . . . 0.0 108.851 177.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -108.89 160.32 16.09 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.965 1.306 . . . . 0.0 111.544 -179.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.667 HD22 ' HB3' ' A' ' 30' ' ' PHE . 18.1 tp -141.75 137.77 31.85 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 126.481 1.912 . . . . 0.0 109.442 171.661 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mp -111.93 139.96 33.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 126.128 1.771 . . . . 0.0 107.584 169.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.477 ' HB3' HG21 ' A' ' 39' ' ' VAL . 3.3 mp -123.23 66.96 0.99 Allowed 'General case' 0 N--CA 1.444 -0.748 0 C-N-CA 128.994 2.917 . . . . 0.0 108.214 -177.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 . . . . . 0 CA--C 1.555 1.145 0 C-N-CA 126.747 2.019 . . . . 0.0 115.653 174.533 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.101 0 N-CA-C 121.375 3.843 . . . . 0.0 121.375 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -171.86 -158.52 16.14 Favored Glycine 0 CA--C 1.537 1.43 0 N-CA-C 118.778 2.271 . . . . 0.0 118.778 169.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -156.77 161.55 39.78 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 126.71 2.004 . . . . 0.0 112.733 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.7 t -160.28 -175.78 5.25 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 126.97 2.108 . . . . 0.0 110.839 -177.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 67.2 p -144.66 170.58 15.81 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 126.313 1.845 . . . . 0.0 111.246 175.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.2 t -156.63 150.5 24.88 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.065 0.946 . . . . 0.0 111.621 171.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.3 tp10 -76.31 120.01 20.98 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 167.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -140.9 175.13 9.86 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.174 1.39 . . . . 0.0 112.972 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 90.0 t -78.7 -47.42 23.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 O-C-N 121.283 -0.885 . . . . 0.0 110.685 169.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.444 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 5.2 t70 176.22 -156.48 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 131.184 3.794 . . . . 0.0 106.083 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.76 -20.18 2.02 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 120.937 1.699 . . . . 0.0 114.004 169.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.69 -7.93 18.07 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.581 1.152 . . . . 0.0 113.733 172.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 52.1 m -138.9 -39.13 0.5 Allowed 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.9 1.68 . . . . 0.0 112.249 176.1 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.86 -39.56 90.87 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.071 1.348 . . . . 0.0 110.86 178.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -73.9 2.14 9.2 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 178.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.33 19.43 4.83 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 125.101 1.36 . . . . 0.0 111.708 173.448 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.2 t -121.09 -51.95 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 125.285 1.434 . . . . 0.0 109.943 177.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.667 ' HB3' HD22 ' A' ' 5' ' ' LEU . 23.3 m-85 -60.72 -28.65 68.83 Favored 'General case' 0 C--O 1.224 -0.247 0 C-N-CA 123.245 0.618 . . . . 0.0 112.585 176.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -54.78 -31.08 58.36 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.482 1.113 . . . . 0.0 113.084 176.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -83.94 -49.97 8.47 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.46 0.704 . . . . 0.0 110.825 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -62.46 -40.35 96.35 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.156 0.982 . . . . 0.0 111.736 179.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.49 -42.87 95.6 Favored 'General case' 0 N--CA 1.452 -0.351 0 O-C-N 121.19 -0.944 . . . . 0.0 112.549 178.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -67.56 -21.08 65.46 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 172.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -82.13 -30.37 31.15 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.428 1.013 . . . . 0.0 112.864 175.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -75.31 -43.47 50.68 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 168.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.05 3.5 8.18 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 128.753 3.073 . . . . 0.0 114.817 169.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.477 HG21 ' HB3' ' A' ' 7' ' ' LEU . 4.6 t -81.23 140.8 16.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 CA-C-N 118.528 1.164 . . . . 0.0 110.634 -179.58 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -159.54 47.65 0.29 Allowed 'General case' 0 CA--C 1.554 1.1 0 CA-C-O 122.286 1.041 . . . . 0.0 113.131 171.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -89.98 -130.29 4.17 Favored Glycine 0 CA--C 1.539 1.56 0 C-N-CA 125.27 1.414 . . . . 0.0 114.668 176.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -67.53 82.94 0.17 Allowed 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 124.947 1.299 . . . . 0.0 114.028 -172.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -63.34 104.0 0.56 Allowed 'General case' 0 N--CA 1.471 0.579 0 O-C-N 119.907 -1.746 . . . . 0.0 110.747 177.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 64.7 m -128.06 161.42 29.24 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 127.385 2.274 . . . . 0.0 109.46 -169.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -156.07 164.49 38.36 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.854 1.661 . . . . 0.0 110.301 -174.063 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -142.71 153.21 43.15 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.131 1.772 . . . . 0.0 110.205 -173.348 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.416 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -124.83 5.12 8.08 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 -177.388 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -93.15 -29.74 15.59 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.926 1.291 . . . . 0.0 110.486 169.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -130.41 -7.87 4.2 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.572 0.952 . . . . 0.0 113.572 -176.23 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.416 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 1.7 mmpt? 60.56 45.52 10.46 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.048 1.739 . . . . 0.0 112.763 179.327 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 72.4 m -119.11 111.76 18.67 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.072 0.949 . . . . 0.0 111.538 -173.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -65.37 159.92 23.01 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 122.059 0.933 . . . . 0.0 111.361 168.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.8 m -146.45 150.55 35.83 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 125.35 1.46 . . . . 0.0 108.35 170.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.3 p -146.94 122.99 2.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 C-N-CA 126.181 1.793 . . . . 0.0 107.872 173.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.8 m . . . . . 0 N--CA 1.486 1.34 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -169.111 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 11.0 ptpp? . . . . . 0 N--CA 1.482 1.169 0 N-CA-C 116.172 1.916 . . . . 0.0 116.172 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.7 t -66.37 141.59 17.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 O-C-N 120.763 -1.211 . . . . 0.0 110.677 175.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -97.94 156.89 16.41 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 125.039 1.335 . . . . 0.0 110.38 171.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -156.25 159.28 2.85 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.272 0 CA-C-O 121.978 0.894 . . . . 0.0 112.355 175.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.248 0 C-N-CA 124.478 1.037 . . . . 0.0 113.215 169.235 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.3 ptmm? . . . . . 0 N--CA 1.471 0.607 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 32.4 m -47.19 -58.58 3.91 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 125.579 1.552 . . . . 0.0 113.997 -170.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.92 -56.07 17.95 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 122.783 0.433 . . . . 0.0 110.238 -176.334 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.7 pp -64.6 -33.32 75.65 Favored 'General case' 0 C--O 1.218 -0.561 0 O-C-N 123.284 0.365 . . . . 0.0 111.254 -174.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -60.99 -46.86 89.03 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 125.509 1.524 . . . . 0.0 112.121 175.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.68 -35.84 75.47 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 119.442 1.019 . . . . 0.0 112.249 171.595 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.61 -38.95 93.07 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 118.872 0.76 . . . . 0.0 112.062 -179.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.618 ' HB2' HD11 ' A' ' 100' ' ' LEU . 10.6 m-85 -72.54 -60.67 2.12 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 125.964 1.705 . . . . 0.0 111.742 174.494 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -64.5 -15.07 58.83 Favored Glycine 0 CA--C 1.54 1.646 0 C-N-CA 120.682 -0.77 . . . . 0.0 114.932 -175.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -53.44 -46.88 70.03 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.331 1.452 . . . . 0.0 111.822 167.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -70.73 -45.93 63.97 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.856 0.862 . . . . 0.0 110.605 174.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -175.13 153.88 16.69 Favored Glycine 0 N--CA 1.477 1.407 0 CA-C-O 118.253 -1.304 . . . . 0.0 115.116 171.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -50.4 155.98 4.48 Favored 'Trans proline' 0 CA--C 1.539 0.732 0 C-N-CA 123.416 2.744 . . . . 0.0 116.668 -169.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.618 HD11 ' HB2' ' A' ' 94' ' ' PHE . 17.4 mt -118.04 143.34 46.5 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.272 1.829 . . . . 0.0 110.471 -173.502 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 21.4 ttp-105 -100.49 -38.34 8.43 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.795 1.638 . . . . 0.0 111.993 -179.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 14.4 m -143.18 147.08 34.33 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 125.194 1.397 . . . . 0.0 110.186 171.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.572 ' CG2' HD13 ' A' ' 100' ' ' LEU . 11.2 t -147.36 130.24 8.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 N-CA-C 106.964 -1.495 . . . . 0.0 106.964 175.13 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 87.2 t90 -146.55 145.37 30.11 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 123.904 0.881 . . . . 0.0 111.348 -169.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -143.48 141.04 26.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 O-C-N 121.452 -0.78 . . . . 0.0 108.957 168.512 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.688 0 CA-C-O 120.984 0.421 . . . . 0.0 110.865 -172.684 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.545 0.753 0 N-CA-C 106.713 -1.588 . . . . 0.0 106.713 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -146.59 172.99 12.74 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.09 1.356 . . . . 0.0 114.102 -168.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -144.76 158.88 43.61 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.949 1.7 . . . . 0.0 113.265 176.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.539 HG21 ' CD2' ' A' ' 94' ' ' PHE . 1.4 t -145.06 159.24 13.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 125.481 1.512 . . . . 0.0 112.473 -179.36 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 75.8 tt0 -140.53 104.1 4.68 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 126.701 2.001 . . . . 0.0 109.408 169.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.431 ' CZ ' ' HB3' ' A' ' 94' ' ' PHE . 9.3 m-85 -78.87 157.04 28.39 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 -179.444 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -88.25 8.68 26.08 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 126.097 1.759 . . . . 0.0 113.495 173.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -159.62 131.61 4.2 Favored Pre-proline 0 CA--C 1.547 0.856 0 O-C-N 120.651 -1.281 . . . . 0.0 111.864 176.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_endo -74.93 -28.57 9.19 Favored 'Trans proline' 0 CA--C 1.539 0.728 0 C-N-CA 122.778 2.319 . . . . 0.0 114.212 -175.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . 0.251 0.0 OUTLIER -82.93 -27.3 30.67 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 119.94 1.245 . . . . 0.0 112.527 176.79 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -73.96 -36.19 64.57 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 119.15 0.886 . . . . 0.0 110.504 169.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.89 -41.16 95.48 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 118.875 0.761 . . . . 0.0 111.17 169.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.84 -44.72 88.86 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.796 -0.565 . . . . 0.0 112.175 173.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -62.45 -37.58 86.46 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.09 0.956 . . . . 0.0 112.187 177.053 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.86 -55.49 25.71 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.877 1.271 . . . . 0.0 110.256 172.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 42.3 t -52.87 -30.77 16.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 124.878 1.271 . . . . 0.0 112.946 172.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -79.22 -23.53 43.71 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 127.272 2.229 . . . . 0.0 113.387 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -124.97 1.09 8.0 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 -176.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 96.1 mt -114.2 13.58 17.99 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.726 1.61 . . . . 0.0 112.731 179.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -53.17 156.62 2.16 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 126.302 1.841 . . . . 0.0 115.521 -177.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -49.46 -6.0 0.06 OUTLIER Glycine 0 CA--C 1.543 1.782 0 N-CA-C 122.315 3.686 . . . . 0.0 122.315 -168.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.416 ' HD2' ' H ' ' A' ' 134' ' ' THR . 1.4 ppt_? -70.95 -39.27 72.71 Favored 'General case' 0 N--CA 1.482 1.155 0 CA-C-N 119.853 1.826 . . . . 0.0 114.702 -173.496 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . 0.416 ' H ' ' HD2' ' A' ' 133' ' ' ARG . 1.3 m 174.55 138.64 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 128.172 2.589 . . . . 0.0 110.111 -175.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 49.0 tp -147.14 -58.91 0.27 Allowed 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 126.071 1.748 . . . . 0.0 108.288 168.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 75.2 m -70.88 -41.91 70.71 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.387 1.075 . . . . 0.0 112.251 171.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 161.0 -2.04 0.08 OUTLIER Glycine 0 CA--C 1.538 1.526 0 N-CA-C 117.715 1.846 . . . . 0.0 117.715 169.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 6.2 t -149.47 -157.12 0.78 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 126.19 1.796 . . . . 0.0 109.129 178.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -41.0 109.63 0.12 Allowed 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 126.86 2.064 . . . . 0.0 110.848 171.148 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 27.5 m -114.96 -178.32 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 124.315 1.046 . . . . 0.0 110.503 169.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.89 148.68 32.05 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.651 1.181 . . . . 0.0 109.933 169.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 54.0 t -152.08 124.74 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 N-CA-C 105.797 -1.927 . . . . 0.0 105.797 167.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -149.79 -160.84 1.23 Allowed 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.196 0.907 . . . . 0.0 110.964 -174.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 98.2 mt -120.79 142.97 49.09 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 120.754 -1.216 . . . . 0.0 109.416 172.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 22.8 t . . . . . 0 N--CA 1.477 0.915 0 N-CA-C 115.699 1.74 . . . . 0.0 115.699 -173.259 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.545 0.78 0 CA-C-O 121.123 0.487 . . . . 0.0 111.949 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.433 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 92.5 m-85 -129.58 150.07 51.07 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 127.63 2.372 . . . . 0.0 108.962 179.195 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -101.13 161.97 13.23 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.794 1.238 . . . . 0.0 111.325 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.621 HD22 ' HB3' ' A' ' 30' ' ' PHE . 13.9 tp -142.96 140.18 30.97 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 126.642 1.977 . . . . 0.0 109.859 171.096 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mp -112.96 134.37 55.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.843 1.657 . . . . 0.0 109.204 169.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.3 mp -110.91 66.44 0.63 Allowed 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 127.779 2.432 . . . . 0.0 109.414 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 . . . . . 0 CA--C 1.55 0.978 0 C-N-CA 124.172 0.989 . . . . 0.0 110.918 169.449 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.05 0 N-CA-C 120.886 3.662 . . . . 0.0 120.886 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -168.63 -163.53 22.79 Favored Glycine 0 N--CA 1.473 1.133 0 N-CA-C 119.006 2.363 . . . . 0.0 119.006 169.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -155.6 158.09 37.81 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 126.249 1.82 . . . . 0.0 112.213 174.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.0 t -157.73 -177.46 6.59 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 126.639 1.976 . . . . 0.0 110.292 -174.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 75.9 p -143.82 169.34 17.97 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.318 1.447 . . . . 0.0 111.11 174.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.7 t -154.67 152.58 30.12 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.397 1.079 . . . . 0.0 111.278 172.062 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.2 tp10 -79.94 117.44 20.79 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.795 0.838 . . . . 0.0 108.749 168.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -138.57 178.76 6.9 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.229 1.412 . . . . 0.0 113.363 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.8 t -79.48 -49.0 20.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 O-C-N 121.258 -0.901 . . . . 0.0 110.532 169.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.433 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 5.2 t70 176.75 -157.0 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 131.101 3.76 . . . . 0.0 105.8 -179.03 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.86 -19.94 1.99 Allowed 'General case' 0 CA--C 1.549 0.909 0 O-C-N 119.94 -1.725 . . . . 0.0 113.934 169.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.75 -8.18 19.78 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.479 1.112 . . . . 0.0 113.999 172.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.9 m -140.52 -37.17 0.46 Allowed 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.357 1.463 . . . . 0.0 112.239 176.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.6 -38.16 86.41 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.639 1.176 . . . . 0.0 110.931 177.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -72.91 2.26 7.18 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 114.515 1.302 . . . . 0.0 114.515 178.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.422 ' HE3' HG23 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -131.94 18.58 4.6 Favored 'General case' 0 C--O 1.226 -0.18 0 C-N-CA 124.871 1.269 . . . . 0.0 111.793 173.158 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.422 HG23 ' HE3' ' A' ' 28' ' ' LYS . 4.3 t -117.48 -52.1 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 124.799 1.24 . . . . 0.0 110.062 175.661 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.621 ' HB3' HD22 ' A' ' 5' ' ' LEU . 24.3 m-85 -60.67 -28.64 68.76 Favored 'General case' 0 C--O 1.225 -0.2 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.918 178.17 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -54.73 -31.43 58.26 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.206 1.002 . . . . 0.0 112.811 174.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -79.77 -53.0 7.21 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 118.729 0.695 . . . . 0.0 110.948 176.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -62.51 -42.54 99.58 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.281 1.032 . . . . 0.0 111.822 -175.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.36 -48.33 78.38 Favored 'General case' 0 N--CA 1.45 -0.442 0 O-C-N 121.353 -0.842 . . . . 0.0 112.396 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -67.36 -16.27 64.15 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 176.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -83.91 -31.34 25.7 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.314 0.961 . . . . 0.0 112.888 173.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 58.8 m-80 -74.16 -37.33 64.02 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 168.136 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 120.35 -3.52 12.47 Favored Glycine 0 N--CA 1.438 -1.194 0 C-N-CA 128.472 2.939 . . . . 0.0 114.096 171.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.8 t -76.86 138.38 20.69 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.764 0 CA-C-N 118.908 1.354 . . . . 0.0 109.417 175.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -157.24 35.44 0.28 Allowed 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 173.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.63 -161.16 0.05 OUTLIER Glycine 0 CA--C 1.528 0.876 0 N-CA-C 117.065 1.586 . . . . 0.0 117.065 174.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.97 123.02 15.17 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.607 0.763 . . . . 0.0 109.365 171.571 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 77.1 m95 -90.43 123.43 34.14 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.097 0.959 . . . . 0.0 111.171 -178.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.97 162.32 23.64 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 127.77 2.428 . . . . 0.0 110.193 -172.236 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -153.77 168.65 25.57 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.322 1.449 . . . . 0.0 110.533 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -144.87 164.46 31.02 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.114 1.766 . . . . 0.0 110.524 -177.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.412 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 22.9 t70 -133.11 -1.95 3.22 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 -179.437 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.07 -28.79 32.18 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.63 -0.669 . . . . 0.0 110.339 169.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.5 p -135.09 -12.34 2.18 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.703 1.601 . . . . 0.0 113.08 -172.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.412 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 0.8 OUTLIER 63.34 46.92 4.19 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.807 1.643 . . . . 0.0 112.235 177.201 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 74.7 m -116.46 110.63 18.88 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.019 1.328 . . . . 0.0 111.487 -173.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -64.57 162.09 16.21 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 122.231 1.015 . . . . 0.0 111.145 168.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 24.3 m -147.96 155.78 41.94 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 169.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.5 p -138.6 109.41 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 C-N-CA 125.602 1.561 . . . . 0.0 107.874 170.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 98.6 m . . . . . 0 N--CA 1.478 0.943 0 C-N-CA 124.731 1.212 . . . . 0.0 111.621 -169.591 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 58.4 mttp . . . . . 0 N--CA 1.478 0.941 0 CA-C-O 121.233 0.539 . . . . 0.0 110.379 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . 0.293 0.5 OUTLIER -124.5 132.68 70.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 CA-C-O 122.731 1.253 . . . . 0.0 111.2 176.565 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -84.59 145.82 27.84 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 126.363 1.865 . . . . 0.0 109.773 176.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.573 HG13 ' HB3' ' A' ' 113' ' ' ALA . 1.3 p -143.84 133.72 20.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 121.194 0.521 . . . . 0.0 110.665 170.195 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.874 0 N-CA-C 116.199 1.24 . . . . 0.0 116.199 179.399 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.0 ptmm? . . . . . 0 C--O 1.22 -0.468 0 N-CA-C 115.239 1.57 . . . . 0.0 115.239 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 85.5 m -45.98 -63.97 0.85 Allowed 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 115.769 1.766 . . . . 0.0 115.769 -169.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -71.82 -47.79 50.78 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 119.992 1.269 . . . . 0.0 111.136 -176.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.1 pp -60.83 -34.45 74.58 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-N 119.361 0.982 . . . . 0.0 112.211 -179.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -64.6 -46.0 84.55 Favored 'General case' 0 C--O 1.236 0.343 0 O-C-N 120.778 -1.202 . . . . 0.0 111.987 175.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.02 -36.55 84.74 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 119.543 1.065 . . . . 0.0 111.902 170.488 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -68.58 -39.76 80.81 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.134 0.974 . . . . 0.0 112.421 -176.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.514 ' CE2' HG11 ' A' ' 115' ' ' VAL . 14.6 m-85 -71.26 -61.74 1.66 Allowed 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 125.059 1.344 . . . . 0.0 110.819 173.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -58.7 -18.32 38.12 Favored Glycine 0 CA--C 1.548 2.101 0 N-CA-C 115.486 0.954 . . . . 0.0 115.486 179.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -55.85 -50.26 71.08 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.684 1.594 . . . . 0.0 112.559 168.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -63.99 -41.67 97.44 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.149 0.58 . . . . 0.0 110.02 173.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 176.25 157.62 17.87 Favored Glycine 0 N--CA 1.475 1.278 0 CA-C-O 118.495 -1.17 . . . . 0.0 114.373 168.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_exo -49.31 130.51 25.08 Favored 'Trans proline' 0 CA--C 1.531 0.349 0 C-N-CA 123.229 2.619 . . . . 0.0 116.455 -169.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.526 HD13 ' CG2' ' A' ' 103' ' ' VAL . 18.0 mt -72.88 167.47 20.91 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 113.438 -1.71 . . . . 0.0 111.446 169.621 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -123.64 -23.8 4.66 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.063 1.745 . . . . 0.0 111.834 171.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.5 t -161.71 156.97 23.69 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.129 1.372 . . . . 0.0 111.68 168.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.526 ' CG2' HD13 ' A' ' 100' ' ' LEU . 60.3 t -145.82 131.99 13.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 126.241 1.816 . . . . 0.0 108.421 178.376 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 90.7 t90 -142.18 143.73 33.08 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.29 1.436 . . . . 0.0 110.988 -176.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -143.29 148.44 19.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 O-C-N 121.114 -0.991 . . . . 0.0 110.496 172.369 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.889 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 -175.144 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.542 0.636 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.573 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -162.18 170.77 18.5 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.031 1.332 . . . . 0.0 112.313 -170.551 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -142.89 145.08 32.75 Favored 'General case' 0 N--CA 1.48 1.038 0 O-C-N 121.468 -0.77 . . . . 0.0 111.741 170.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.514 HG11 ' CE2' ' A' ' 94' ' ' PHE . 32.8 m -138.01 170.08 17.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 CA-C-O 122.214 1.007 . . . . 0.0 113.367 -174.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -147.99 128.31 13.9 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 126.11 1.764 . . . . 0.0 108.578 -169.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.412 ' CZ ' ' HB3' ' A' ' 94' ' ' PHE . 15.5 m-85 -115.14 153.76 30.2 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 113.294 0.849 . . . . 0.0 113.294 -171.019 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -82.49 -12.37 57.85 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.309 1.044 . . . . 0.0 113.308 -179.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -146.63 135.41 11.12 Favored Pre-proline 0 CA--C 1.552 1.02 0 C-N-CA 125.14 1.376 . . . . 0.0 111.664 -173.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -75.4 -29.16 7.89 Favored 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 123.208 2.605 . . . . 0.0 115.338 -171.09 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . 0.263 0.0 OUTLIER -86.46 -26.84 24.46 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 119.91 1.232 . . . . 0.0 112.151 178.168 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -68.66 -43.09 76.92 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 123.313 0.645 . . . . 0.0 109.98 168.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.89 -44.28 91.14 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.666 0.787 . . . . 0.0 112.081 170.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.94 -43.65 92.02 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 177.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -59.37 -38.98 81.82 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 119.443 1.02 . . . . 0.0 111.87 172.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.48 -54.73 27.9 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 118.123 0.42 . . . . 0.0 110.911 175.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -58.87 -20.29 16.79 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 125.823 1.649 . . . . 0.0 114.247 179.713 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 14.7 ttp85 -103.58 -24.07 13.43 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 126.111 1.764 . . . . 0.0 114.357 -178.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -112.16 -24.9 9.59 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 119.695 1.134 . . . . 0.0 113.105 -175.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.411 ' CD1' ' CE1' ' A' ' 94' ' ' PHE . 57.8 mt -70.49 -28.26 64.83 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 119.275 0.943 . . . . 0.0 111.348 168.427 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -68.47 134.53 50.25 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -170.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 59.46 16.02 34.35 Favored Glycine 0 CA--C 1.539 1.535 0 C-N-CA 126.033 1.778 . . . . 0.0 115.354 179.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 11.0 ttt-85 -84.81 -66.68 0.87 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 126.31 1.844 . . . . 0.0 113.519 -168.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 19.5 m 136.1 131.95 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.215 1 C-N-CA 133.883 4.873 . . . . 0.0 106.873 -172.231 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 15.1 tp -164.27 134.74 4.18 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 106.569 -1.641 . . . . 0.0 106.569 -178.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 44.1 t 59.51 -38.47 0.07 Allowed 'General case' 0 CA--C 1.556 1.176 0 C-N-CA 127.159 2.184 . . . . 0.0 114.499 -168.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 148.68 26.37 0.07 OUTLIER Glycine 0 CA--C 1.536 1.358 0 C-N-CA 125.94 1.733 . . . . 0.0 116.965 169.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.1 t -141.69 -176.91 4.94 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 119.469 1.634 . . . . 0.0 112.869 176.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -72.19 55.54 0.32 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 129.455 3.102 . . . . 0.0 112.561 -176.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 10.8 p -50.22 131.16 9.72 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 C-N-CA 126.589 1.956 . . . . 0.0 111.325 -172.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.91 126.06 35.15 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 126.411 1.884 . . . . 0.0 106.254 -175.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 57.6 t -132.69 135.87 56.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 123.764 0.826 . . . . 0.0 110.399 -167.002 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -143.47 166.76 23.9 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 120.887 -1.133 . . . . 0.0 112.963 -176.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -81.73 134.2 35.43 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 169.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.475 0.818 0 N-CA-C 115.501 1.667 . . . . 0.0 115.501 -168.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 . . . . . 0 CA--C 1.544 0.736 0 CA-C-O 120.879 0.371 . . . . 0.0 110.818 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.457 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 88.0 m-85 -123.31 154.26 39.13 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 127.204 2.202 . . . . 0.0 109.088 -176.56 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -105.35 160.77 14.86 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.221 1.009 . . . . 0.0 111.551 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.503 HD11 ' CD2' ' A' ' 7' ' ' LEU . 1.0 OUTLIER -146.35 135.34 22.54 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 126.429 1.892 . . . . 0.0 110.379 175.566 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.4 mp -114.48 112.26 39.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 126.635 1.974 . . . . 0.0 110.252 172.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.503 ' CD2' HD11 ' A' ' 5' ' ' LEU . 82.9 mt -82.81 72.94 9.88 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 126.316 1.847 . . . . 0.0 110.225 169.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 41.4 m-20 . . . . . 0 CA--C 1.564 1.505 0 C-N-CA 125.01 1.324 . . . . 0.0 114.422 172.513 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.764 0 N-CA-C 117.122 2.267 . . . . 0.0 117.122 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -163.95 -165.96 22.03 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 116.838 1.495 . . . . 0.0 116.838 169.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -154.13 155.86 36.15 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.466 1.506 . . . . 0.0 111.776 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.9 t -157.78 -173.17 4.24 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 125.853 1.661 . . . . 0.0 109.419 179.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 66.6 p -139.5 172.52 12.68 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.209 1.403 . . . . 0.0 110.514 175.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.626 HG21 ' CG1' ' A' ' 29' ' ' VAL . 4.5 t -157.17 149.77 23.25 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.192 0.997 . . . . 0.0 110.805 177.132 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.3 tp10 -80.29 114.36 19.14 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 169.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -132.36 177.18 7.79 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.724 1.609 . . . . 0.0 112.838 178.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.7 t -86.9 -37.23 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 O-C-N 121.172 -0.955 . . . . 0.0 111.928 172.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.457 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 3.8 t70 174.54 -157.16 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 130.865 3.666 . . . . 0.0 106.882 173.47 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.8 -22.49 2.18 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 120.408 1.458 . . . . 0.0 113.864 169.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.6 -6.69 21.39 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.279 1.432 . . . . 0.0 113.742 175.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 53.4 m -138.81 -33.81 0.63 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.639 1.576 . . . . 0.0 112.428 176.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.413 ' HA ' HG12 ' A' ' 29' ' ' VAL . . . -66.93 -35.32 79.74 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 124.679 1.192 . . . . 0.0 110.847 175.073 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -76.16 4.65 8.17 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 114.754 1.39 . . . . 0.0 114.754 177.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.44 17.91 4.39 Favored 'General case' 0 N--CA 1.463 0.198 0 O-C-N 120.309 -1.494 . . . . 0.0 112.022 174.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.626 ' CG1' HG21 ' A' ' 18' ' ' THR . 3.9 p -126.54 -41.05 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.185 0.994 . . . . 0.0 112.352 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.44 ' CZ ' HG22 ' A' ' 18' ' ' THR . 23.5 m-85 -64.39 -27.23 68.87 Favored 'General case' 0 C--O 1.226 -0.184 0 C-N-CA 123.277 0.631 . . . . 0.0 112.412 170.041 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -56.54 -31.16 63.89 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.952 1.301 . . . . 0.0 112.752 173.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -77.62 -51.27 10.92 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 118.506 0.594 . . . . 0.0 111.034 176.622 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -59.99 -42.56 94.49 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.41 1.084 . . . . 0.0 111.97 179.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.07 -49.26 78.57 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 124.03 0.932 . . . . 0.0 112.142 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 -71.04 -19.0 62.54 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 178.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -80.9 -30.15 35.51 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 173.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -78.36 -44.04 26.11 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 168.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 121.71 13.95 4.93 Favored Glycine 0 CA--C 1.538 1.486 0 C-N-CA 128.673 3.035 . . . . 0.0 115.363 170.003 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 44.4 t -86.73 148.68 4.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 125.31 1.444 . . . . 0.0 111.515 173.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -164.58 58.38 0.14 Allowed 'General case' 0 CA--C 1.555 1.161 0 CA-C-O 122.709 1.242 . . . . 0.0 111.957 168.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.79 -140.99 5.76 Favored Glycine 0 CA--C 1.547 2.071 0 C-N-CA 126.679 2.085 . . . . 0.0 116.527 179.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -70.72 88.66 0.72 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 125.85 1.66 . . . . 0.0 112.948 -177.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 81.8 m95 -62.55 111.98 2.29 Favored 'General case' 0 N--CA 1.467 0.383 0 O-C-N 119.911 -1.743 . . . . 0.0 110.418 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -126.67 163.05 24.33 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 126.641 1.977 . . . . 0.0 110.907 -172.273 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -147.32 168.5 21.62 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.345 1.058 . . . . 0.0 111.797 177.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -142.41 128.24 19.38 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 127.319 2.247 . . . . 0.0 107.437 -177.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.516 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -105.33 3.31 29.71 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.759 1.392 . . . . 0.0 114.759 -177.837 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -92.43 -29.07 16.47 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.096 1.358 . . . . 0.0 110.425 169.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.2 p -125.4 -10.47 6.91 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -174.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.516 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 2.6 mmpt? 61.13 42.54 12.2 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.357 1.463 . . . . 0.0 112.479 178.074 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 81.1 m -117.73 110.91 18.42 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.859 1.664 . . . . 0.0 111.601 -174.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -67.51 159.69 29.17 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 121.924 0.868 . . . . 0.0 111.002 168.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.9 m -146.16 159.48 43.25 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.122 1.369 . . . . 0.0 108.37 170.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.475 ' CG1' HD23 ' A' ' 7' ' ' LEU 0.265 7.6 p -152.75 76.96 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 CA-C-O 123.077 1.418 . . . . 0.0 111.72 177.79 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.1 m . . . . . 0 N--CA 1.474 0.732 0 C-N-CA 125.019 1.328 . . . . 0.0 111.822 -179.537 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 46.2 mttp . . . . . 0 N--CA 1.476 0.87 0 CA-C-O 120.365 0.126 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -140.81 139.46 34.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 CA-C-O 122.661 1.219 . . . . 0.0 111.099 178.168 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -82.29 149.1 27.97 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 128.155 2.582 . . . . 0.0 110.199 175.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.549 HG13 ' HB3' ' A' ' 113' ' ' ALA . 0.5 OUTLIER -149.44 151.84 12.52 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 CA-C-O 122.729 1.252 . . . . 0.0 113.652 171.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.479 ' HA2' ' HA ' ' A' ' 112' ' ' PHE . . . . . . . . 0 CA--C 1.53 1.031 0 C-N-CA 126.136 1.826 . . . . 0.0 112.068 168.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.5 pttp . . . . . 0 C--O 1.22 -0.494 0 N-CA-C 116.08 1.882 . . . . 0.0 116.08 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 46.5 m -43.11 -62.59 1.0 Allowed 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 120.568 1.531 . . . . 0.0 114.497 -169.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.04 -55.47 16.47 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 -175.455 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.461 HD12 ' N ' ' A' ' 91' ' ' GLU . 3.3 pp -63.6 -33.77 76.35 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 123.437 0.461 . . . . 0.0 112.178 -173.026 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.461 ' N ' HD12 ' A' ' 90' ' ' LEU . 41.4 tt0 -64.57 -48.45 74.94 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 125.151 1.38 . . . . 0.0 111.169 178.443 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.78 -32.89 71.62 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 119.04 -1.064 . . . . 0.0 112.152 172.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.44 98.24 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.728 0.811 . . . . 0.0 111.695 178.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.513 ' HB2' HD11 ' A' ' 100' ' ' LEU . 8.9 m-85 -69.79 -64.16 0.94 Allowed 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 125.268 1.427 . . . . 0.0 111.729 172.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -57.22 -18.57 28.65 Favored Glycine 0 CA--C 1.548 2.116 0 N-CA-C 115.444 0.938 . . . . 0.0 115.444 -176.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -55.84 -49.42 73.36 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 126.293 1.837 . . . . 0.0 112.946 168.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -64.88 -42.46 94.78 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.387 0.675 . . . . 0.0 110.224 174.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 179.77 162.44 28.76 Favored Glycine 0 N--CA 1.476 1.301 0 CA-C-O 118.724 -1.042 . . . . 0.0 113.958 169.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -58.26 139.32 90.08 Favored 'Trans proline' 0 CA--C 1.532 0.417 0 CA-C-N 120.745 2.273 . . . . 0.0 114.976 -168.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.597 HD13 ' CG2' ' A' ' 103' ' ' VAL . 16.3 mt -85.89 150.1 24.76 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.786 1.634 . . . . 0.0 111.561 175.488 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -96.75 -33.67 11.62 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.494 1.118 . . . . 0.0 111.802 169.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.7 m -156.37 154.32 30.36 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.126 1.371 . . . . 0.0 112.193 172.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.597 ' CG2' HD13 ' A' ' 100' ' ' LEU . 73.5 t -139.6 137.13 40.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 125.786 1.634 . . . . 0.0 109.35 173.502 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 87.7 t90 -141.93 148.15 38.2 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 126.082 1.753 . . . . 0.0 110.553 -175.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 8.0 m -143.24 151.82 16.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 125.138 1.375 . . . . 0.0 108.656 173.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.709 0 CA-C-O 122.021 0.915 . . . . 0.0 113.144 -172.846 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.479 ' HA ' ' HA2' ' A' ' 79' ' ' GLY . 0.0 OUTLIER . . . . . 0 CA--C 1.544 0.727 0 CA-C-O 120.637 0.256 . . . . 0.0 110.351 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.549 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -167.25 173.28 9.11 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.165 1.386 . . . . 0.0 112.932 -167.659 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -147.58 147.84 30.49 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 172.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.458 HG11 ' CE2' ' A' ' 94' ' ' PHE . 21.7 m -141.99 171.54 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 124.395 1.078 . . . . 0.0 113.053 -175.331 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -144.6 124.05 13.14 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 125.092 1.357 . . . . 0.0 109.229 169.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.445 ' HA ' ' HA ' ' A' ' 100' ' ' LEU . 41.1 m-85 -78.39 165.32 23.95 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 174.71 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 22.7 tp10 -70.24 -16.41 63.04 Favored 'General case' 0 CA--C 1.548 0.867 0 O-C-N 120.931 -1.106 . . . . 0.0 112.561 170.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -155.93 158.03 31.54 Favored Pre-proline 0 CA--C 1.555 1.144 0 O-C-N 120.783 -1.198 . . . . 0.0 113.346 176.185 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -68.05 -29.24 34.02 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 124.305 3.337 . . . . 0.0 113.924 -178.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.1 ttp85 -63.1 -43.4 98.58 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 120.506 1.503 . . . . 0.0 110.832 174.271 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -66.83 -43.51 83.55 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 178.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.9 -41.83 96.83 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 171.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.48 -39.23 91.7 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.609 0.764 . . . . 0.0 112.475 178.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -66.1 -41.46 90.56 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-O 123.004 1.383 . . . . 0.0 111.718 176.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.44 ' HB1' HD12 ' A' ' 130' ' ' LEU . . . -60.62 -56.79 17.14 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 114.917 -1.038 . . . . 0.0 110.672 171.257 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 54.7 t -57.19 -27.32 27.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 125.412 1.485 . . . . 0.0 113.293 174.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 55.0 ttp85 -67.59 -42.16 82.93 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.549 1.54 . . . . 0.0 110.751 -179.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -129.96 -15.54 3.81 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 118.78 2.882 . . . . 0.0 118.78 -176.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.477 ' HB3' HG21 ' A' ' 142' ' ' VAL . 29.1 mt -66.91 -28.53 68.39 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 121.469 1.941 . . . . 0.0 113.38 175.381 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -60.18 134.56 57.17 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.882 1.273 . . . . 0.0 114.02 -174.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 66.73 -20.12 0.2 Allowed Glycine 0 CA--C 1.541 1.688 0 N-CA-C 119.683 2.633 . . . . 0.0 119.683 169.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 22.2 ptt180 -65.35 -53.15 47.73 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 117.401 2.371 . . . . 0.0 117.401 -167.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 4.5 m 147.66 127.54 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 131.255 3.822 . . . . 0.0 109.339 -170.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.3 tp -168.38 137.94 2.42 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 103.591 -2.744 . . . . 0.0 103.591 -179.062 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 67.8 m 67.25 -27.16 0.13 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 126.456 1.903 . . . . 0.0 112.663 -167.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 145.71 -8.16 1.54 Allowed Glycine 0 CA--C 1.534 1.239 0 N-CA-C 118.145 2.018 . . . . 0.0 118.145 168.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 13.0 t -156.6 -136.85 0.05 Allowed 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 119.819 1.809 . . . . 0.0 110.831 -169.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -47.31 116.72 1.5 Allowed 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 127.972 2.509 . . . . 0.0 111.511 178.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 61.7 t -116.68 162.55 14.58 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 124.916 1.286 . . . . 0.0 111.163 170.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.22 143.27 25.8 Favored 'General case' 0 C--O 1.221 -0.414 0 C-N-CA 127.449 2.3 . . . . 0.0 107.411 168.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.477 HG21 ' HB3' ' A' ' 130' ' ' LEU . 92.5 t -150.39 129.21 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 N-CA-C 107.189 -1.411 . . . . 0.0 107.189 169.071 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -147.63 159.3 43.93 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 119.511 1.05 . . . . 0.0 110.977 176.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 10.6 tp -68.82 137.81 54.26 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 120.047 -1.658 . . . . 0.0 109.605 173.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.471 0.603 0 CA-C-O 121.698 0.761 . . . . 0.0 112.18 -171.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 . . . . . 0 CA--C 1.539 0.53 0 CA-C-O 121.399 0.619 . . . . 0.0 111.389 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.453 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 88.1 m-85 -125.16 154.47 41.46 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 127.164 2.186 . . . . 0.0 108.385 -177.315 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -107.76 161.0 15.29 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.325 1.05 . . . . 0.0 111.267 -178.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.597 HD21 HD21 ' A' ' 7' ' ' LEU . 18.2 tp -142.64 139.42 31.25 Favored 'General case' 0 C--N 1.333 -0.116 0 C-N-CA 126.197 1.799 . . . . 0.0 110.462 173.283 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mp -113.87 142.05 27.8 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 C-N-CA 126.338 1.855 . . . . 0.0 107.157 169.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.597 HD21 HD21 ' A' ' 5' ' ' LEU . 79.5 mt -117.69 62.03 0.75 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 128.182 2.593 . . . . 0.0 109.337 176.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 . . . . . 0 CA--C 1.551 0.989 0 C-N-CA 124.407 1.083 . . . . 0.0 113.497 175.64 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.467 0.384 0 N-CA-C 116.08 1.881 . . . . 0.0 116.08 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -168.08 -163.8 22.65 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 117.306 1.682 . . . . 0.0 117.306 170.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -153.77 158.33 40.76 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.961 1.304 . . . . 0.0 112.739 -178.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.2 t -159.62 -175.13 4.99 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 126.553 1.941 . . . . 0.0 110.125 -175.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 69.9 p -142.28 172.16 13.07 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.786 1.635 . . . . 0.0 111.195 175.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.9 t -157.0 150.55 24.34 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.299 -0.876 . . . . 0.0 110.878 171.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.2 tp10 -78.71 113.64 16.95 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 169.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.06 175.3 9.5 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.697 1.599 . . . . 0.0 112.685 -178.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 47.0 t -84.14 -38.53 13.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 O-C-N 121.352 -0.842 . . . . 0.0 111.661 170.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.453 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 2.8 t70 174.55 -155.97 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 131.139 3.776 . . . . 0.0 106.854 173.345 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.34 -21.61 2.34 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 120.639 1.563 . . . . 0.0 114.165 169.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.76 -6.54 16.36 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.194 1.398 . . . . 0.0 113.825 173.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 22.0 m -137.72 -37.17 0.61 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.688 1.595 . . . . 0.0 111.966 174.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.01 -41.65 90.72 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.902 1.281 . . . . 0.0 110.946 177.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -77.26 6.28 7.0 Favored 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 114.26 1.207 . . . . 0.0 114.26 179.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.35 14.8 6.66 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.436 1.494 . . . . 0.0 111.893 169.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 t -115.06 -51.25 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 125.342 1.457 . . . . 0.0 110.024 173.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.478 ' HB3' HD22 ' A' ' 5' ' ' LEU . 23.2 m-85 -62.37 -26.52 68.5 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -58.63 -28.09 65.33 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.276 1.031 . . . . 0.0 113.219 175.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -82.3 -53.39 6.08 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 123.207 0.603 . . . . 0.0 109.887 177.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -57.81 -41.62 82.56 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.128 0.971 . . . . 0.0 112.216 -179.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.75 -52.56 64.54 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 123.695 0.798 . . . . 0.0 111.823 175.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -66.09 -22.2 66.4 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.097 0.959 . . . . 0.0 113.527 176.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -77.7 -30.37 51.81 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 119.321 0.964 . . . . 0.0 112.587 174.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -79.38 -38.51 34.78 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 168.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 118.9 4.11 12.98 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 128.706 3.051 . . . . 0.0 114.739 170.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 48.7 t -77.88 143.83 12.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 CA-C-N 118.462 1.131 . . . . 0.0 110.621 171.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -162.24 54.31 0.23 Allowed 'General case' 0 CA--C 1.547 0.832 0 CA-C-O 122.421 1.105 . . . . 0.0 112.032 168.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -74.32 -158.21 5.74 Favored Glycine 0 CA--C 1.539 1.585 0 C-N-CA 124.71 1.147 . . . . 0.0 115.552 175.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -65.09 130.22 42.56 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 121.221 -1.164 . . . . 0.0 109.59 170.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 80.0 m95 -89.53 139.47 30.5 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.662 1.185 . . . . 0.0 110.715 177.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -139.69 157.38 45.87 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 127.323 2.249 . . . . 0.0 108.895 -177.728 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -153.91 165.2 36.86 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.509 1.523 . . . . 0.0 109.776 -177.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -140.8 170.29 16.03 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.574 1.15 . . . . 0.0 112.532 -179.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.435 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 21.4 t70 -131.8 -4.6 3.62 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 115.121 1.526 . . . . 0.0 115.121 178.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.66 -27.77 31.11 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.425 0.69 . . . . 0.0 109.686 168.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 25.8 p -132.38 -12.67 3.1 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.602 1.561 . . . . 0.0 113.58 -170.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.435 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 2.6 mmpt? 56.1 39.48 30.38 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.297 1.439 . . . . 0.0 112.815 176.431 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 52.6 m -116.36 114.23 24.01 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 125.7 1.6 . . . . 0.0 110.272 -172.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -67.33 157.97 32.71 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 124.291 1.036 . . . . 0.0 111.18 169.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.1 m -151.11 129.22 11.85 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 107.346 -1.353 . . . . 0.0 107.346 171.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.444 HG12 HD23 ' A' ' 7' ' ' LEU . 9.5 p -113.56 132.76 61.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 123.863 0.865 . . . . 0.0 108.743 170.003 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 57.7 m . . . . . 0 N--CA 1.478 0.939 0 C-N-CA 123.948 0.899 . . . . 0.0 111.625 -169.112 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 95.4 mttt . . . . . 0 CA--C 1.534 0.344 0 CA-C-O 122.229 1.014 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.2 t -139.55 127.73 26.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 C-N-CA 126.642 1.977 . . . . 0.0 108.395 -174.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -78.87 147.59 33.1 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 123.387 0.675 . . . . 0.0 109.476 169.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.404 HG13 ' HB3' ' A' ' 113' ' ' ALA . 1.4 p -149.68 148.5 15.46 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.332 0 CA-C-N 118.958 0.799 . . . . 0.0 112.223 169.595 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.282 0 N-CA-C 110.09 -1.204 . . . . 0.0 110.09 169.189 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 10.1 ptmm? . . . . . 0 N--CA 1.487 1.417 0 N-CA-C 121.66 3.948 . . . . 0.0 121.66 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 25.9 m -47.73 -52.76 17.3 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 121.743 2.065 . . . . 0.0 116.034 -168.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -77.74 -41.01 39.15 Favored 'General case' 0 CA--C 1.53 0.204 0 O-C-N 121.087 -1.008 . . . . 0.0 111.033 -177.228 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.412 HD12 ' N ' ' A' ' 91' ' ' GLU . 3.2 pp -60.68 -32.93 72.12 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 120.487 1.494 . . . . 0.0 112.037 175.198 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.412 ' N ' HD12 ' A' ' 90' ' ' LEU . 24.3 tt0 -61.84 -48.73 79.23 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.755 1.222 . . . . 0.0 111.745 175.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.6 ppt_? -67.86 -35.24 78.19 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 119.19 0.905 . . . . 0.0 112.762 170.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.13 -48.85 79.7 Favored 'General case' 0 C--O 1.22 -0.456 0 C-N-CA 124.34 1.056 . . . . 0.0 111.182 -179.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.423 ' HB3' ' CZ ' ' A' ' 117' ' ' PHE . 12.5 m-85 -62.63 -63.13 1.31 Allowed 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 124.929 1.292 . . . . 0.0 111.525 174.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -57.33 -21.66 41.38 Favored Glycine 0 CA--C 1.547 2.052 0 N-CA-C 115.689 1.036 . . . . 0.0 115.689 -177.157 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -57.61 -53.48 57.69 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.706 1.603 . . . . 0.0 113.139 169.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -66.89 -37.44 84.39 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 118.69 0.677 . . . . 0.0 111.124 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -171.41 161.65 34.09 Favored Glycine 0 N--CA 1.476 1.356 0 CA-C-O 118.197 -1.335 . . . . 0.0 112.623 169.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -69.02 135.54 32.5 Favored 'Trans proline' 0 CA--C 1.535 0.531 0 CA-C-N 121.803 2.801 . . . . 0.0 114.517 -169.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.419 ' HA ' ' HA ' ' A' ' 117' ' ' PHE . 16.7 mt -74.58 164.94 26.01 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.226 1.81 . . . . 0.0 113.25 175.138 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 32.9 ttp-105 -124.8 -28.73 3.48 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 125.97 1.708 . . . . 0.0 112.244 169.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 17.1 t -153.5 150.19 28.48 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.535 1.134 . . . . 0.0 111.537 170.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.415 ' CG2' HD13 ' A' ' 100' ' ' LEU . 85.3 t -139.65 131.04 33.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 125.313 1.445 . . . . 0.0 108.847 174.48 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 86.2 t90 -142.21 148.31 37.97 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.112 1.365 . . . . 0.0 110.632 -178.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 24.4 m -144.56 159.17 14.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 C-N-CA 126.316 1.847 . . . . 0.0 107.941 175.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.665 0 N-CA-C 115.581 1.697 . . . . 0.0 115.581 -171.139 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.563 1.467 0 CA-C-O 120.986 0.422 . . . . 0.0 111.492 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.404 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -163.93 179.35 7.08 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 125.548 1.539 . . . . 0.0 114.067 -168.181 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -152.44 147.71 26.58 Favored 'General case' 0 N--CA 1.48 1.073 0 O-C-N 121.186 -0.946 . . . . 0.0 113.048 174.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.404 HG11 ' CE2' ' A' ' 94' ' ' PHE . 7.6 m -134.1 168.76 23.1 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 O-C-N 120.956 -1.09 . . . . 0.0 112.152 171.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -142.37 132.19 24.22 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 124.885 1.274 . . . . 0.0 108.57 172.346 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.423 ' CZ ' ' HB3' ' A' ' 94' ' ' PHE . 41.5 m-85 -94.95 168.63 10.66 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -178.561 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -71.7 -37.43 70.69 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 121.476 -0.765 . . . . 0.0 112.572 177.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -129.2 141.41 41.67 Favored Pre-proline 0 CA--C 1.547 0.832 0 C-N-CA 125.015 1.326 . . . . 0.0 110.61 175.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -51.87 -29.77 36.14 Favored 'Trans proline' 0 CA--C 1.538 0.684 0 C-N-CA 123.845 3.03 . . . . 0.0 114.996 172.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.4 ttp85 -58.22 -42.19 85.75 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.082 0.953 . . . . 0.0 111.807 170.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -68.18 -44.83 75.02 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 122.543 0.337 . . . . 0.0 110.9 -179.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.23 -48.12 82.81 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 122.959 0.504 . . . . 0.0 112.109 173.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.32 -44.6 91.07 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 -179.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -66.54 -39.53 88.64 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.319 1.048 . . . . 0.0 112.112 178.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.38 -55.51 17.71 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 121.776 -0.577 . . . . 0.0 109.964 175.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 55.8 t -55.33 -49.93 68.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 123.73 0.812 . . . . 0.0 111.206 178.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 4.4 ppt_? -60.64 -24.31 65.46 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-O 117.603 -1.189 . . . . 0.0 113.501 -178.049 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -116.16 18.86 15.23 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 174.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 22.4 mt -117.72 -35.78 3.84 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 126.275 1.83 . . . . 0.0 112.702 172.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -53.03 112.71 0.91 Allowed 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.203 1.001 . . . . 0.0 113.39 -169.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 59.58 13.51 24.08 Favored Glycine 0 CA--C 1.538 1.507 0 N-CA-C 116.66 1.424 . . . . 0.0 116.66 179.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 67.3 mmt-85 -66.38 -67.14 0.47 Allowed 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 120.039 1.92 . . . . 0.0 112.395 -176.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 17.6 m 143.54 131.64 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.353 1 C-N-CA 132.859 4.464 . . . . 0.0 107.22 -176.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -168.09 148.76 5.0 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 105.032 -2.21 . . . . 0.0 105.032 -176.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 91.2 m 64.16 -31.71 0.12 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.586 1.554 . . . . 0.0 112.755 -167.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 144.27 2.67 0.81 Allowed Glycine 0 CA--C 1.531 1.048 0 N-CA-C 118.266 2.066 . . . . 0.0 118.266 168.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 37.9 t -150.46 -77.64 0.14 Allowed 'General case' 0 C--N 1.343 0.325 0 CA-C-N 121.181 2.49 . . . . 0.0 109.799 -174.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -122.14 158.99 28.12 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 123.12 1.438 . . . . 0.0 112.64 177.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.73 89.16 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 128.116 2.566 . . . . 0.0 107.543 171.077 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.71 55.97 0.89 Allowed 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.452 1.501 . . . . 0.0 111.124 179.378 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 71.3 t -83.86 139.43 17.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 125.919 1.688 . . . . 0.0 110.194 -176.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -151.59 162.69 40.55 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.191 0.996 . . . . 0.0 110.657 169.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 39.6 mt -77.56 146.81 36.07 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 120.162 -1.586 . . . . 0.0 109.637 169.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.471 0.623 0 N-CA-C 112.732 0.642 . . . . 0.0 112.732 175.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 . . . . . 0 N--CA 1.473 0.702 0 CA-C-O 121.188 0.518 . . . . 0.0 112.058 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.494 ' CD1' ' HB3' ' A' ' 20' ' ' ALA . 88.8 m-85 -127.39 153.95 45.61 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 126.984 2.113 . . . . 0.0 108.498 -179.101 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -110.02 163.96 13.07 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.006 1.322 . . . . 0.0 111.624 -179.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.523 HD11 ' CD2' ' A' ' 7' ' ' LEU . 1.4 tm? -147.17 136.61 22.73 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.707 2.003 . . . . 0.0 110.772 178.052 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.6 mp -118.25 113.43 42.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 126.45 1.9 . . . . 0.0 110.554 173.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.523 ' CD2' HD11 ' A' ' 5' ' ' LEU . 85.0 mt -83.23 63.52 7.25 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 127.736 2.415 . . . . 0.0 112.05 174.58 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.416 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 58.3 t30 . . . . . 0 CA--C 1.553 1.093 0 N-CA-C 115.982 1.845 . . . . 0.0 115.982 -175.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.466 0.367 0 N-CA-C 117.383 2.364 . . . . 0.0 117.383 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -165.3 -156.26 9.05 Favored Glycine 0 CA--C 1.525 0.716 0 CA-C-N 113.54 -1.663 . . . . 0.0 116.052 169.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -156.59 160.93 39.89 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.519 1.528 . . . . 0.0 111.973 -175.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.9 t -154.3 -176.64 5.97 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.699 1.599 . . . . 0.0 110.09 173.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 72.1 p -140.97 170.83 15.0 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 125.935 1.694 . . . . 0.0 110.082 174.081 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.706 HG21 HG11 ' A' ' 29' ' ' VAL . 5.0 t -157.96 151.5 23.59 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.133 -0.98 . . . . 0.0 111.293 175.247 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -81.66 119.23 23.56 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 167.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.671 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -138.83 170.41 16.05 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.026 1.731 . . . . 0.0 112.324 -174.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 58.7 t -82.85 -38.85 15.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 O-C-N 121.02 -1.05 . . . . 0.0 111.651 170.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.455 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 3.3 t70 174.54 -154.58 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 130.691 3.596 . . . . 0.0 106.683 173.571 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.63 -19.49 2.39 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 120.681 1.582 . . . . 0.0 114.059 169.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.83 -8.26 14.47 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.41 1.084 . . . . 0.0 113.602 171.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.671 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 10.3 m -136.5 -41.8 0.62 Allowed 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 126.393 1.877 . . . . 0.0 111.746 179.6 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.461 ' HA ' HG12 ' A' ' 29' ' ' VAL . . . -68.32 -34.21 75.71 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.783 1.633 . . . . 0.0 111.024 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -78.65 5.38 11.19 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 120.701 -1.249 . . . . 0.0 114.367 176.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.14 18.2 3.2 Favored 'General case' 0 N--CA 1.466 0.332 0 O-C-N 120.658 -1.276 . . . . 0.0 112.276 176.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.706 HG11 HG21 ' A' ' 18' ' ' THR . 9.8 p -124.47 -40.96 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 124.889 1.276 . . . . 0.0 111.873 177.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -68.4 -27.7 66.45 Favored 'General case' 0 CA--C 1.527 0.091 0 C-N-CA 124.195 0.998 . . . . 0.0 112.571 173.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -54.59 -32.49 58.72 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.161 1.384 . . . . 0.0 112.763 177.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -80.2 -50.09 10.74 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.973 0.909 . . . . 0.0 110.665 -179.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -59.97 -43.73 94.91 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.341 1.057 . . . . 0.0 112.261 177.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.41 -52.16 66.49 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 123.729 0.811 . . . . 0.0 112.217 178.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -73.35 -13.11 61.04 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.384 0.674 . . . . 0.0 112.739 -178.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -84.18 -31.35 25.18 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.911 0.884 . . . . 0.0 112.764 171.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -76.32 -36.85 58.09 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 168.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 119.85 0.89 13.36 Favored Glycine 0 CA--C 1.534 1.224 0 C-N-CA 128.66 3.029 . . . . 0.0 114.742 169.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 54.2 t -76.39 149.63 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 CA-C-N 118.138 0.969 . . . . 0.0 111.511 173.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -163.39 41.3 0.1 Allowed 'General case' 0 CA--C 1.546 0.827 0 CA-C-O 122.292 1.044 . . . . 0.0 111.235 169.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.85 -151.25 0.05 OUTLIER Glycine 0 CA--C 1.542 1.775 0 C-N-CA 126.195 1.855 . . . . 0.0 116.643 177.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -73.14 85.72 1.37 Allowed 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.191 1.396 . . . . 0.0 112.709 -178.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 77.5 m95 -55.35 116.28 2.76 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 125.428 1.491 . . . . 0.0 110.216 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.99 162.29 29.01 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 126.864 2.066 . . . . 0.0 110.503 -173.032 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -155.38 163.92 39.43 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.598 1.159 . . . . 0.0 111.663 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -138.23 166.14 24.92 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.266 1.426 . . . . 0.0 112.454 176.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.466 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 28.4 t70 -125.12 -0.4 7.79 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 114.781 1.401 . . . . 0.0 114.781 -178.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -95.45 -32.09 13.06 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.164 1.386 . . . . 0.0 111.359 170.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.6 t -125.38 -1.63 7.54 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.308 1.043 . . . . 0.0 113.615 178.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.466 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 2.7 mmpt? 53.64 41.29 32.11 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.801 1.24 . . . . 0.0 113.075 169.154 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 52.7 m -120.92 113.81 20.65 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 125.567 1.547 . . . . 0.0 109.316 -171.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -66.79 159.91 27.02 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 122.054 0.93 . . . . 0.0 110.967 169.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 22.4 m -145.7 161.95 38.69 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 125.687 1.595 . . . . 0.0 107.491 169.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.49 ' CG1' HD23 ' A' ' 7' ' ' LEU . 14.4 p -153.92 65.76 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 CA-C-O 123.22 1.486 . . . . 0.0 111.189 -179.368 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.416 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 86.1 m . . . . . 0 N--CA 1.469 0.523 0 O-C-N 121.113 -0.992 . . . . 0.0 112.734 -172.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.5 mttp . . . . . 0 N--CA 1.472 0.625 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 80.0 t -140.6 131.65 29.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 CA-C-O 122.094 0.949 . . . . 0.0 113.222 -167.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -88.36 147.5 24.71 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 125.934 1.693 . . . . 0.0 109.237 168.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.421 HG13 ' HB3' ' A' ' 113' ' ' ALA . 1.4 p -152.55 152.88 10.02 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.285 0 CA-C-O 122.732 1.253 . . . . 0.0 113.335 177.153 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.316 0 C-N-CA 125.991 1.757 . . . . 0.0 109.795 168.723 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.1 ptmm? . . . . . 0 N--CA 1.469 0.49 0 N-CA-C 115.372 1.619 . . . . 0.0 115.372 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.404 ' HA ' ' HB3' ' A' ' 91' ' ' GLU . 2.2 m -73.02 -31.69 64.62 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 -168.449 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -64.48 -53.27 50.87 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 119.666 1.121 . . . . 0.0 110.724 174.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.436 ' HA ' ' HB3' ' A' ' 93' ' ' ALA . 4.5 pp -65.85 -32.31 73.76 Favored 'General case' 0 C--O 1.22 -0.456 0 C-N-CA 120.474 -0.49 . . . . 0.0 111.865 177.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.404 ' HB3' ' HA ' ' A' ' 88' ' ' THR . 40.3 tt0 -55.77 -48.03 76.01 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 120.756 -1.215 . . . . 0.0 111.953 173.399 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.86 -37.85 82.37 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 119.154 0.888 . . . . 0.0 111.714 170.528 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.436 ' HB3' ' HA ' ' A' ' 90' ' ' LEU . . . -60.17 -36.27 77.2 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.602 1.092 . . . . 0.0 112.601 -178.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.589 ' CD2' HG11 ' A' ' 115' ' ' VAL . 21.8 m-85 -83.76 -60.17 2.2 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 125.794 1.638 . . . . 0.0 111.628 179.191 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -50.29 -23.31 5.89 Favored Glycine 0 CA--C 1.548 2.134 0 N-CA-C 115.452 0.941 . . . . 0.0 115.452 173.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -51.63 -51.62 54.23 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.851 1.66 . . . . 0.0 112.702 168.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -72.33 -44.81 62.13 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.221 1.008 . . . . 0.0 111.323 178.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -171.84 168.34 41.43 Favored Glycine 0 N--CA 1.478 1.476 0 CA-C-O 118.839 -0.979 . . . . 0.0 114.478 175.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -70.4 124.5 10.88 Favored 'Trans proline' 0 C--O 1.237 0.446 0 CA-C-N 120.919 2.359 . . . . 0.0 114.154 -169.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.42 HD13 ' CG2' ' A' ' 103' ' ' VAL . 21.1 mt -61.0 162.84 6.53 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.825 2.05 . . . . 0.0 112.763 170.313 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 28.3 ttp180 -124.79 -29.51 3.39 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 126.461 1.904 . . . . 0.0 111.307 176.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 83.0 p -160.62 155.1 23.55 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.573 1.549 . . . . 0.0 111.069 166.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.42 ' CG2' HD13 ' A' ' 100' ' ' LEU . 78.1 t -139.75 134.42 38.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 126.121 1.768 . . . . 0.0 107.922 -178.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 39.2 t90 -147.49 143.74 28.08 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 177.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.501 HG12 ' HB1' ' A' ' 113' ' ' ALA . 1.0 OUTLIER -142.03 154.95 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 O-C-N 121.469 -0.769 . . . . 0.0 110.025 170.692 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.527 0 CA-C-O 120.916 0.389 . . . . 0.0 110.991 172.312 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.551 1.01 0 CA-C-O 120.614 0.245 . . . . 0.0 110.698 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.501 ' HB1' HG12 ' A' ' 105' ' ' VAL . . . -165.98 178.6 6.33 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 124.897 1.279 . . . . 0.0 113.741 -167.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -149.89 157.64 43.37 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.403 1.081 . . . . 0.0 113.819 172.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.589 HG11 ' CD2' ' A' ' 94' ' ' PHE . 32.6 m -143.35 172.2 7.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 CA-C-O 122.739 1.257 . . . . 0.0 113.29 169.503 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -152.34 127.88 10.05 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 127.05 2.14 . . . . 0.0 106.598 -177.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.442 ' CZ ' ' HB3' ' A' ' 94' ' ' PHE . 57.4 m-85 -109.03 155.87 20.41 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.138 1.375 . . . . 0.0 111.823 -173.249 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -68.95 -14.91 63.32 Favored 'General case' 0 CA--C 1.553 1.076 0 O-C-N 120.467 -1.396 . . . . 0.0 112.603 174.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -141.01 133.0 13.96 Favored Pre-proline 0 CA--C 1.553 1.074 0 C-N-CA 125.063 1.345 . . . . 0.0 112.525 -170.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -78.9 -24.48 7.01 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 123.395 2.73 . . . . 0.0 114.765 -175.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.96 -41.97 81.64 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 120.348 1.431 . . . . 0.0 110.259 171.54 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -66.63 -41.3 88.53 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.242 0.617 . . . . 0.0 112.346 174.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.1 -44.63 97.05 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 118.578 0.626 . . . . 0.0 112.335 171.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.15 -47.93 75.34 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.057 0.543 . . . . 0.0 111.492 178.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -61.57 -37.37 83.61 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.668 1.187 . . . . 0.0 112.302 178.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.37 -55.06 31.62 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 122.905 0.482 . . . . 0.0 110.232 169.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 35.1 t -51.92 -40.36 28.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 124.805 1.242 . . . . 0.0 113.518 177.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -78.92 -26.84 43.74 Favored 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 114.328 1.232 . . . . 0.0 114.328 -179.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -105.19 -21.61 13.22 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 -173.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.447 ' CD1' ' CE1' ' A' ' 94' ' ' PHE . 42.7 mt -80.91 -36.1 31.54 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.6 1.16 . . . . 0.0 113.988 176.307 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -65.02 147.49 53.39 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 115.225 1.565 . . . . 0.0 115.225 -168.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 66.3 -44.37 0.18 Allowed Glycine 0 CA--C 1.538 1.527 0 C-N-CA 128.959 3.171 . . . . 0.0 118.459 169.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 49.6 mtt85 -51.76 -56.49 13.53 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 127.688 2.395 . . . . 0.0 115.082 -169.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.6 m 149.41 150.32 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.958 1 C-N-CA 131.771 4.029 . . . . 0.0 107.322 -169.235 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -143.77 -60.71 0.4 Allowed 'General case' 0 N--CA 1.476 0.864 0 CA-C-O 119.107 -0.473 . . . . 0.0 111.583 171.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 27.7 t -67.19 -42.33 84.37 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 118.741 0.701 . . . . 0.0 111.611 169.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 158.18 4.51 0.07 OUTLIER Glycine 0 CA--C 1.541 1.662 0 N-CA-C 116.305 1.282 . . . . 0.0 116.305 -177.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 5.7 t -157.26 -170.56 3.3 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 127.077 2.151 . . . . 0.0 107.556 177.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -47.73 126.64 10.53 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.547 1.539 . . . . 0.0 113.408 -169.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 12.1 p -117.23 156.12 18.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 126.805 2.042 . . . . 0.0 109.98 177.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.01 134.61 47.53 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 126.962 2.105 . . . . 0.0 108.999 175.299 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 87.2 t -147.9 135.15 13.86 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 169.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 30.8 mp0 -141.15 168.47 19.71 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.095 0.958 . . . . 0.0 110.322 171.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -71.97 135.21 46.36 Favored 'General case' 0 CA--C 1.543 0.673 0 O-C-N 120.253 -1.529 . . . . 0.0 108.616 167.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 37.2 m . . . . . 0 N--CA 1.473 0.68 0 CA-C-O 121.668 0.747 . . . . 0.0 112.618 -179.609 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 . . . . . 0 CA--C 1.544 0.718 0 CA-C-O 121.064 0.459 . . . . 0.0 111.533 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.463 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 86.9 m-85 -125.6 154.89 41.59 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 127.49 2.316 . . . . 0.0 108.366 -178.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -107.34 162.61 13.75 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.563 1.145 . . . . 0.0 111.531 -178.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.608 HD22 ' HB3' ' A' ' 30' ' ' PHE . 14.6 tp -141.64 140.16 33.21 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 126.899 2.079 . . . . 0.0 110.369 171.5 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.3 mp -117.97 108.42 24.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 126.002 1.721 . . . . 0.0 108.813 173.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.524 HD21 HD21 ' A' ' 5' ' ' LEU . 68.3 mt -80.23 77.84 6.94 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.458 1.103 . . . . 0.0 108.283 169.126 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 . . . . . 0 CA--C 1.564 1.495 0 C-N-CA 125.819 1.648 . . . . 0.0 114.285 171.826 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.471 0.577 0 N-CA-C 118.216 2.673 . . . . 0.0 118.216 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.88 -165.42 25.25 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 117.69 1.836 . . . . 0.0 117.69 169.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -142.43 157.82 44.35 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.781 1.232 . . . . 0.0 111.853 -175.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.7 t -156.27 -177.16 6.39 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.418 1.487 . . . . 0.0 110.503 171.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 70.7 p -142.57 171.51 13.96 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.686 1.594 . . . . 0.0 110.806 174.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.9 t -158.98 149.39 19.6 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.37 -0.831 . . . . 0.0 111.743 173.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.1 tp10 -74.6 120.51 20.26 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 106.873 -1.528 . . . . 0.0 106.873 167.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -137.54 174.17 10.88 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.58 1.552 . . . . 0.0 112.0 177.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.3 p -84.05 -31.4 7.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 O-C-N 121.482 -0.762 . . . . 0.0 112.469 169.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.463 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 2.1 t70 167.46 -158.09 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.09 1 C-N-CA 132.227 4.211 . . . . 0.0 107.462 176.361 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.76 -22.46 2.14 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 120.467 -1.395 . . . . 0.0 114.135 169.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.91 -5.39 16.64 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.437 1.095 . . . . 0.0 113.628 173.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.0 m -135.48 -37.4 0.77 Allowed 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.646 1.578 . . . . 0.0 112.236 172.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.21 -38.66 91.14 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.717 1.207 . . . . 0.0 111.008 177.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -75.41 4.13 7.89 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 114.435 1.272 . . . . 0.0 114.435 178.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.42 ' HE3' HG23 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -131.89 18.52 4.62 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 120.428 -1.42 . . . . 0.0 111.532 172.884 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.42 HG23 ' HE3' ' A' ' 28' ' ' LYS . 3.6 t -120.06 -51.97 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 125.358 1.463 . . . . 0.0 110.094 178.013 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.608 ' HB3' HD22 ' A' ' 5' ' ' LEU . 23.3 m-85 -61.71 -26.33 67.97 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 176.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -54.4 -29.11 47.89 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.113 1.365 . . . . 0.0 113.164 173.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -82.79 -50.92 8.15 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.304 0.642 . . . . 0.0 110.406 178.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -60.08 -43.44 95.47 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.025 0.93 . . . . 0.0 112.231 179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.15 -51.99 67.4 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 121.322 -0.861 . . . . 0.0 111.064 178.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 59.4 m-80 -70.41 -18.55 63.02 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-O 117.915 -1.04 . . . . 0.0 113.769 -179.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . 0.323 1.1 p30 -86.16 -17.22 35.49 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 120.267 1.394 . . . . 0.0 114.116 171.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 58.9 m-80 -84.61 -41.14 16.68 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 166.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.29 -1.16 5.71 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 128.758 3.075 . . . . 0.0 115.436 171.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 55.7 t -80.77 154.13 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 CA-C-N 118.805 1.303 . . . . 0.0 113.079 177.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -169.32 48.52 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 126.029 1.732 . . . . 0.0 111.267 168.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.419 ' H ' HG22 ' A' ' 54' ' ' VAL . . . -83.37 -137.11 3.01 Favored Glycine 0 CA--C 1.538 1.528 0 C-N-CA 125.354 1.454 . . . . 0.0 116.135 -176.479 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -70.67 82.22 0.61 Allowed 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.477 1.111 . . . . 0.0 112.752 -176.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 80.4 m95 -59.95 109.68 1.01 Allowed 'General case' 0 C--O 1.236 0.344 0 O-C-N 120.113 -1.617 . . . . 0.0 110.515 -179.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.84 163.66 21.71 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 127.028 2.131 . . . . 0.0 110.968 -174.669 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -153.66 166.26 33.37 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.056 1.342 . . . . 0.0 111.14 179.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -139.79 158.2 44.49 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.058 1.343 . . . . 0.0 111.426 175.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.507 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -120.62 4.93 10.6 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 -177.298 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -102.18 -29.98 11.4 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.766 1.626 . . . . 0.0 111.73 170.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.4 t -126.11 1.17 7.2 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.273 1.029 . . . . 0.0 113.582 177.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.507 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 3.2 mmpt? 52.55 41.98 31.25 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.092 1.357 . . . . 0.0 113.631 168.697 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.2 m -122.84 112.81 18.32 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 125.708 1.603 . . . . 0.0 109.363 -170.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -66.08 160.09 24.64 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.127 0.971 . . . . 0.0 111.32 169.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 23.7 m -145.41 157.94 43.93 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 125.365 1.466 . . . . 0.0 108.201 169.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.461 ' CG1' HD23 ' A' ' 7' ' ' LEU . 13.2 p -157.29 82.26 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 C-N-CA 124.902 1.281 . . . . 0.0 110.922 -179.262 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 28.3 m . . . . . 0 N--CA 1.476 0.872 0 C-N-CA 124.186 0.994 . . . . 0.0 112.361 -177.747 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 38.2 mttm . . . . . 0 N--CA 1.47 0.538 0 CA-C-O 120.821 0.343 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 24.0 t -135.61 140.35 44.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 125.617 1.567 . . . . 0.0 111.042 -169.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -95.0 148.62 22.14 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 125.748 1.619 . . . . 0.0 108.962 168.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.568 HG13 ' HB3' ' A' ' 113' ' ' ALA . 0.2 OUTLIER -153.75 155.45 6.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 122.8 1.286 . . . . 0.0 112.897 174.785 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.224 0 C-N-CA 125.287 1.422 . . . . 0.0 110.441 168.479 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.25 15.6 pttp . . . . . 0 N--CA 1.485 1.287 0 N-CA-C 119.707 3.225 . . . . 0.0 119.707 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 66.8 m -47.79 -49.78 27.71 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 120.9 1.682 . . . . 0.0 115.053 -169.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -76.35 -45.87 30.09 Favored 'General case' 0 CA--C 1.529 0.157 0 O-C-N 121.54 -0.725 . . . . 0.0 111.662 -178.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.6 pp -61.31 -33.6 73.86 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.708 1.14 . . . . 0.0 111.915 176.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -61.44 -48.3 81.77 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.602 1.561 . . . . 0.0 112.178 175.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.52 -39.35 88.59 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 119.478 1.035 . . . . 0.0 111.873 171.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.01 -42.45 99.17 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 124.208 1.003 . . . . 0.0 111.987 -177.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.717 ' CD1' HD23 ' A' ' 130' ' ' LEU . 10.3 m-85 -68.14 -63.04 1.14 Allowed 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 124.918 1.287 . . . . 0.0 110.988 174.119 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.4 ' HA2' ' O ' ' A' ' 98' ' ' GLY . . . -57.66 -19.72 36.31 Favored Glycine 0 CA--C 1.545 1.951 0 N-CA-C 115.729 1.052 . . . . 0.0 115.729 -175.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -55.78 -49.1 74.08 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.828 2.051 . . . . 0.0 112.956 168.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.462 ' HE2' HD22 ' A' ' 130' ' ' LEU . 95.2 m-85 -65.85 -41.99 91.03 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.377 0.671 . . . . 0.0 110.484 173.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.4 ' O ' ' HA2' ' A' ' 95' ' ' GLY . . . -179.68 162.32 28.84 Favored Glycine 0 N--CA 1.471 1.005 0 CA-C-O 118.656 -1.08 . . . . 0.0 114.136 169.215 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -58.7 147.95 85.23 Favored 'Trans proline' 0 CA--C 1.534 0.488 0 C-N-CA 122.52 2.147 . . . . 0.0 114.772 -168.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.581 HD13 ' CG2' ' A' ' 103' ' ' VAL . 14.2 mt -100.31 140.72 34.15 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.967 1.707 . . . . 0.0 110.756 -175.209 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 27.2 ttp-105 -96.15 -29.03 14.29 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.288 1.435 . . . . 0.0 112.033 173.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 20.3 p -155.73 155.57 33.35 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.789 1.236 . . . . 0.0 111.889 168.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.581 ' CG2' HD13 ' A' ' 100' ' ' LEU . 11.2 t -143.37 136.22 24.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 125.547 1.539 . . . . 0.0 107.945 173.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 72.8 t90 -145.2 147.68 32.71 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 124.83 1.252 . . . . 0.0 111.105 -174.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.2 m -143.84 153.32 15.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 124.109 0.964 . . . . 0.0 110.317 176.125 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.544 0 CA-C-O 121.373 0.606 . . . . 0.0 111.443 -174.697 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.538 0.481 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.568 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -158.91 170.68 21.56 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 114.197 1.184 . . . . 0.0 114.197 -168.249 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -142.95 163.08 33.75 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.111 0.964 . . . . 0.0 111.833 169.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.498 HG21 ' CD2' ' A' ' 94' ' ' PHE . 1.4 t -152.52 163.31 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 125.523 1.529 . . . . 0.0 111.845 -171.324 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 60.1 tt0 -142.38 121.45 12.91 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.409 1.484 . . . . 0.0 107.608 165.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.418 ' CZ ' ' HB3' ' A' ' 94' ' ' PHE . 23.1 m-85 -84.36 168.55 15.49 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.555 -0.716 . . . . 0.0 112.507 178.109 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -74.94 -42.8 57.0 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 121.147 -0.97 . . . . 0.0 112.149 176.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -116.28 129.22 25.39 Favored Pre-proline 0 CA--C 1.547 0.843 0 C-N-CA 126.55 1.94 . . . . 0.0 108.568 174.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -50.92 -26.83 19.16 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 123.705 2.937 . . . . 0.0 114.722 173.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.27 -25.47 63.37 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 119.006 0.821 . . . . 0.0 112.993 173.029 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -68.81 -44.34 73.75 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 119.689 1.131 . . . . 0.0 110.233 169.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.82 -37.41 84.32 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.063 0.545 . . . . 0.0 111.861 171.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.34 -43.77 89.84 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.355 0.98 . . . . 0.0 112.431 173.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -56.64 -41.4 77.1 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 119.046 0.839 . . . . 0.0 111.696 171.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -73.43 -45.58 53.61 Favored 'General case' 0 CA--C 1.545 0.772 0 O-C-N 121.41 -0.806 . . . . 0.0 112.199 179.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 55.9 t -61.71 -26.72 40.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 O-C-N 119.764 -1.835 . . . . 0.0 112.342 174.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 31.1 ttp-105 -85.51 -37.91 19.15 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.425 1.09 . . . . 0.0 113.685 174.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -120.62 -26.59 5.28 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 116.3 1.963 . . . . 0.0 116.3 -167.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.717 HD23 ' CD1' ' A' ' 94' ' ' PHE . 6.7 tp -87.37 -19.73 27.72 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 126.012 1.725 . . . . 0.0 112.23 176.392 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -70.91 147.37 48.83 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.613 1.565 . . . . 0.0 113.366 169.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 60.26 -10.57 0.04 OUTLIER Glycine 0 CA--C 1.536 1.368 0 N-CA-C 122.013 3.565 . . . . 0.0 122.013 167.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -76.12 -83.4 0.07 Allowed 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 121.884 2.842 . . . . 0.0 110.387 -178.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 4.3 m -176.97 148.06 0.62 Allowed 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 129.792 3.237 . . . . 0.0 106.772 -177.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 15.9 tp -158.74 143.08 15.69 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 104.817 -2.29 . . . . 0.0 104.817 170.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 22.2 m 67.59 -49.94 0.51 Allowed 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.465 1.906 . . . . 0.0 111.262 -167.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 147.89 26.63 0.07 OUTLIER Glycine 0 CA--C 1.531 1.087 0 N-CA-C 118.662 2.225 . . . . 0.0 118.662 167.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 2.2 m -141.55 -73.29 0.33 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 120.247 2.023 . . . . 0.0 109.221 174.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -135.26 153.76 51.79 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.468 1.107 . . . . 0.0 111.691 179.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 8.6 p -143.89 144.17 23.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 C-N-CA 127.141 2.176 . . . . 0.0 108.557 169.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.38 129.35 18.48 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 126.065 1.746 . . . . 0.0 108.601 179.408 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 60.7 t -144.49 132.15 17.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 123.661 0.784 . . . . 0.0 108.958 -169.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -137.01 165.67 25.48 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.639 1.109 . . . . 0.0 111.378 177.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 16.0 tp -75.6 129.52 37.32 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 120.651 -1.28 . . . . 0.0 108.656 169.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 33.4 t . . . . . 0 N--CA 1.467 0.402 0 CA-C-O 121.531 0.682 . . . . 0.0 110.956 -173.484 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 . . . . . 0 CA--C 1.547 0.833 0 CA-C-O 120.945 0.402 . . . . 0.0 112.054 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.48 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 73.3 m-85 -125.97 158.44 35.23 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 127.515 2.326 . . . . 0.0 108.794 179.387 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 73.6 tttt -108.43 161.76 14.74 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.068 1.347 . . . . 0.0 111.575 -179.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.746 HD22 ' HB3' ' A' ' 30' ' ' PHE . 24.0 tp -142.11 142.68 32.81 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 127.024 2.13 . . . . 0.0 110.272 172.686 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.4 mp -117.17 127.48 74.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 126.164 1.786 . . . . 0.0 109.238 172.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.8 mp -109.16 64.79 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 129.046 2.938 . . . . 0.0 109.152 -174.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.1 t30 . . . . . 0 CA--C 1.549 0.94 0 C-N-CA 128.857 2.863 . . . . 0.0 117.016 -174.579 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . 0.278 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.978 0 N-CA-C 119.379 3.103 . . . . 0.0 119.379 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -172.94 -156.79 13.32 Favored Glycine 0 N--CA 1.469 0.867 0 N-CA-C 118.041 1.976 . . . . 0.0 118.041 170.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -145.35 163.89 33.16 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.831 1.653 . . . . 0.0 111.453 -176.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.3 t -159.01 -176.12 5.68 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.777 1.631 . . . . 0.0 111.015 170.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 65.8 p -142.9 168.16 20.37 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 126.244 1.818 . . . . 0.0 110.93 173.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.621 HG21 ' CG1' ' A' ' 29' ' ' VAL . 4.8 t -156.07 149.77 24.99 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.367 1.067 . . . . 0.0 111.085 177.418 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -77.63 119.24 20.9 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 167.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.45 175.4 9.64 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.284 1.434 . . . . 0.0 113.096 176.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 50.0 t -84.85 -38.44 13.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 O-C-N 121.345 -0.847 . . . . 0.0 111.673 170.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.48 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 2.8 t70 174.69 -156.8 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 131.248 3.819 . . . . 0.0 106.891 173.243 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.82 -21.44 1.68 Allowed 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 120.618 1.554 . . . . 0.0 114.082 169.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.18 -7.32 22.73 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.971 1.309 . . . . 0.0 113.848 173.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 53.4 m -138.0 -36.1 0.62 Allowed 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.977 1.711 . . . . 0.0 112.218 176.364 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.422 ' HA ' HG12 ' A' ' 29' ' ' VAL . . . -64.9 -36.15 83.43 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.047 1.339 . . . . 0.0 110.594 175.729 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -77.66 5.51 9.09 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 114.993 1.479 . . . . 0.0 114.993 178.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.61 16.43 3.98 Favored 'General case' 0 N--CA 1.464 0.265 0 O-C-N 120.415 -1.428 . . . . 0.0 111.932 173.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.621 ' CG1' HG21 ' A' ' 18' ' ' THR . 3.1 p -124.38 -41.02 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 124.205 1.002 . . . . 0.0 112.411 -179.686 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.746 ' HB3' HD22 ' A' ' 5' ' ' LEU . 23.9 m-85 -65.16 -29.62 70.47 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 118.997 -0.525 . . . . 0.0 111.826 170.36 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -55.22 -28.76 55.43 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.046 1.338 . . . . 0.0 113.146 177.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.44 -57.17 3.91 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 122.996 0.518 . . . . 0.0 110.445 175.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -63.69 -38.97 93.1 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.574 1.15 . . . . 0.0 112.473 -174.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.531 ' HB1' HG23 ' A' ' 39' ' ' VAL . . . -55.81 -52.78 62.81 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 125.204 1.402 . . . . 0.0 111.181 174.011 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 -63.2 -22.69 67.03 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 177.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -81.25 -27.81 35.02 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 119.336 0.971 . . . . 0.0 113.463 174.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -76.75 -45.25 29.92 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 107.132 -1.432 . . . . 0.0 107.132 168.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 139.23 -8.04 3.19 Favored Glycine 0 CA--C 1.529 0.952 0 C-N-CA 127.1 2.286 . . . . 0.0 114.159 167.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.531 HG23 ' HB1' ' A' ' 34' ' ' ALA . 2.7 m -70.08 153.77 8.44 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.109 0.964 . . . . 0.0 113.367 176.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -168.92 22.59 0.02 OUTLIER 'General case' 0 CA--C 1.56 1.336 0 N-CA-C 115.53 1.678 . . . . 0.0 115.53 169.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.99 -131.18 0.58 Allowed Glycine 0 CA--C 1.541 1.71 0 C-N-CA 127.299 2.38 . . . . 0.0 116.194 -171.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -71.77 81.4 0.87 Allowed 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.067 1.347 . . . . 0.0 112.621 -175.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 87.3 m95 -60.23 118.51 6.46 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 124.675 1.19 . . . . 0.0 110.836 179.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.74 163.46 22.79 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 126.796 2.039 . . . . 0.0 110.916 -172.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -151.28 167.08 28.98 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.848 1.259 . . . . 0.0 111.219 177.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -139.65 125.26 19.32 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.57 1.548 . . . . 0.0 108.974 170.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.46 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 3.5 m-20 -84.48 -3.14 58.21 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 115.1 1.518 . . . . 0.0 115.1 -175.28 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -107.73 -29.49 9.08 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.066 1.346 . . . . 0.0 112.29 -178.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.1 t -111.63 0.46 16.37 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.671 0.789 . . . . 0.0 112.686 172.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.46 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 4.1 mmpt? 54.61 39.59 31.3 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 126.122 1.769 . . . . 0.0 113.008 169.472 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.9 m -122.74 108.8 13.46 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.93 1.292 . . . . 0.0 109.904 -170.222 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -64.71 161.64 17.46 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 122.395 1.093 . . . . 0.0 111.33 169.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 26.5 m -145.46 159.01 43.72 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 125.5 1.52 . . . . 0.0 107.519 169.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.2 p -148.28 124.03 2.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 C-N-CA 126.768 2.027 . . . . 0.0 106.473 171.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.6 m . . . . . 0 N--CA 1.474 0.749 0 CA-C-O 121.863 0.839 . . . . 0.0 111.328 -176.789 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . 0.253 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.974 0 CA-C-O 121.617 0.722 . . . . 0.0 112.555 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 55.8 t -127.27 143.47 40.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 127.733 2.413 . . . . 0.0 111.789 -168.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -93.94 148.82 21.78 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 126.295 1.838 . . . . 0.0 110.839 170.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.554 HG13 ' HB3' ' A' ' 113' ' ' ALA . 0.9 OUTLIER -152.21 148.77 14.18 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.151 0 CA-C-O 122.706 1.241 . . . . 0.0 113.14 169.664 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.896 0 C-N-CA 125.435 1.493 . . . . 0.0 109.376 168.651 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.4 pttp . . . . . 0 N--CA 1.479 1.022 0 N-CA-C 119.578 3.177 . . . . 0.0 119.578 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 19.1 m -45.66 -56.88 4.69 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 126.076 1.75 . . . . 0.0 115.365 -169.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 50.9 tt0 -75.95 -43.93 42.47 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 121.454 -0.779 . . . . 0.0 111.219 -175.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.419 HD12 ' N ' ' A' ' 91' ' ' GLU . 3.5 pp -60.98 -34.06 74.19 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 119.314 0.961 . . . . 0.0 112.034 177.102 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.419 ' N ' HD12 ' A' ' 90' ' ' LEU . 31.8 tt0 -63.37 -46.4 86.69 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 124.759 1.224 . . . . 0.0 111.707 177.225 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.2 -36.98 82.87 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 119.155 0.888 . . . . 0.0 112.197 170.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.06 -44.95 95.57 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.096 0.958 . . . . 0.0 111.567 -177.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.488 ' HB2' HD11 ' A' ' 100' ' ' LEU . 12.5 m-85 -66.6 -64.09 0.93 Allowed 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 124.898 1.279 . . . . 0.0 112.011 174.49 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.44 -19.18 46.53 Favored Glycine 0 CA--C 1.546 1.974 0 N-CA-C 115.323 0.889 . . . . 0.0 115.323 -173.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -54.94 -49.3 71.69 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.987 1.715 . . . . 0.0 113.218 168.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -69.61 -41.06 76.19 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.431 0.692 . . . . 0.0 111.125 176.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -172.13 155.58 23.89 Favored Glycine 0 N--CA 1.472 1.059 0 CA-C-O 118.177 -1.346 . . . . 0.0 113.51 169.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -57.18 141.67 94.42 Favored 'Trans proline' 0 N--CA 1.462 -0.362 0 CA-C-N 121.255 2.527 . . . . 0.0 114.562 -169.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.581 HD13 ' CG2' ' A' ' 103' ' ' VAL . 17.9 mt -87.05 159.27 19.01 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.461 1.504 . . . . 0.0 111.475 171.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 33.1 ttp-105 -118.78 -30.46 5.09 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.679 1.592 . . . . 0.0 111.983 171.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.2 m -144.96 148.56 33.94 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.821 1.249 . . . . 0.0 110.706 169.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.581 ' CG2' HD13 ' A' ' 100' ' ' LEU . 68.8 t -138.17 131.06 40.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 125.452 1.501 . . . . 0.0 107.749 171.346 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 77.1 t90 -139.38 144.08 38.02 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 125.333 1.453 . . . . 0.0 110.04 -170.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 10.5 m -144.53 155.52 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 C-N-CA 124.391 1.076 . . . . 0.0 108.887 177.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.403 0 C-N-CA 122.805 0.442 . . . . 0.0 110.187 176.425 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.544 0.734 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.554 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -163.61 175.92 10.17 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 -166.608 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -147.35 147.52 30.4 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.476 0.71 . . . . 0.0 111.733 172.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.441 HG11 ' CE2' ' A' ' 94' ' ' PHE . 17.1 m -135.5 170.8 18.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 O-C-N 120.734 -1.229 . . . . 0.0 112.993 178.002 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 48.9 tt0 -141.48 110.2 6.09 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 125.745 1.618 . . . . 0.0 107.785 179.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -75.86 160.56 29.81 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 173.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -58.01 -44.38 87.21 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.773 -0.579 . . . . 0.0 111.557 174.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -139.16 148.2 56.35 Favored Pre-proline 0 CA--C 1.546 0.802 0 O-C-N 120.956 -1.09 . . . . 0.0 111.531 -179.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_exo -49.74 -34.55 36.01 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 124.26 3.307 . . . . 0.0 115.253 177.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.34 -31.07 71.66 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 173.506 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -74.25 -44.43 52.99 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 118.327 0.512 . . . . 0.0 110.989 174.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.82 -39.21 88.16 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 172.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.13 -48.58 73.08 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 118.838 0.745 . . . . 0.0 112.324 176.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -58.04 -42.19 84.84 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 118.932 0.787 . . . . 0.0 111.817 174.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.78 -62.82 1.4 Allowed 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 123.146 0.579 . . . . 0.0 109.949 177.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 46.5 t -50.2 -40.46 17.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.559 1.144 . . . . 0.0 112.276 -179.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 37.9 ttp-105 -63.27 -42.06 99.09 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 177.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -102.06 -12.97 17.73 Favored 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 115.764 1.764 . . . . 0.0 115.764 -177.311 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.422 ' CD2' ' CD1' ' A' ' 94' ' ' PHE . 12.3 tp -106.63 -18.19 14.03 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 126.222 1.809 . . . . 0.0 113.584 -169.145 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -81.84 158.93 23.86 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 124.966 1.306 . . . . 0.0 113.149 177.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 60.17 -17.39 0.04 OUTLIER Glycine 0 CA--C 1.54 1.608 0 C-N-CA 129.129 3.252 . . . . 0.0 120.265 169.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 60.7 mtt85 -86.82 -37.48 17.73 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-N 119.413 1.607 . . . . 0.0 114.932 -169.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.4 t 123.57 160.23 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.627 1 C-N-CA 133.541 4.737 . . . . 0.0 110.245 -178.248 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 58.1 tp -161.66 138.89 8.65 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 127.664 2.386 . . . . 0.0 105.599 -178.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 53.0 m 66.17 -54.4 0.39 Allowed 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 125.002 1.321 . . . . 0.0 110.528 -167.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 141.7 60.64 0.03 OUTLIER Glycine 0 C--N 1.349 1.259 0 N-CA-C 118.544 2.178 . . . . 0.0 118.544 167.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 43.8 t -155.5 -61.77 0.11 Allowed 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 118.999 1.4 . . . . 0.0 111.721 169.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -164.56 150.06 10.17 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 126.283 1.833 . . . . 0.0 109.901 174.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 9.2 p -133.32 145.63 33.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 124.118 0.967 . . . . 0.0 112.397 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.99 121.78 28.69 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 128.015 2.526 . . . . 0.0 107.097 169.549 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 24.0 t -138.49 126.59 29.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 106.756 -1.572 . . . . 0.0 106.756 176.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -144.47 177.34 8.72 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 121.034 -1.041 . . . . 0.0 111.765 -169.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 9.5 mp -83.69 128.13 34.3 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 120.246 -1.534 . . . . 0.0 108.252 169.343 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.475 0.824 0 C-N-CA 123.179 0.592 . . . . 0.0 111.458 177.12 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 . . . . . 0 N--CA 1.472 0.634 0 CA-C-O 121.265 0.555 . . . . 0.0 111.73 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.472 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 81.1 m-85 -122.53 153.17 39.57 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 127.158 2.183 . . . . 0.0 108.527 -175.473 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -105.95 163.13 13.0 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.344 1.058 . . . . 0.0 111.285 178.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.581 HD22 ' HB3' ' A' ' 30' ' ' PHE . 13.9 tp -144.18 139.14 28.59 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 127.023 2.129 . . . . 0.0 109.819 172.547 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.6 mp -115.0 109.02 26.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 125.867 1.667 . . . . 0.0 108.324 171.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.559 HD21 HD21 ' A' ' 5' ' ' LEU . 78.4 mt -77.35 74.79 3.91 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 124.804 1.242 . . . . 0.0 109.153 169.622 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.481 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 26.7 t30 . . . . . 0 CA--C 1.553 1.096 0 C-N-CA 125.825 1.65 . . . . 0.0 114.813 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.472 0.67 0 N-CA-C 119.308 3.077 . . . . 0.0 119.308 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -166.63 -155.14 8.75 Favored Glycine 0 CA--C 1.533 1.188 0 CA-C-N 114.043 -1.435 . . . . 0.0 115.885 169.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -158.93 163.76 36.24 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.773 1.629 . . . . 0.0 112.275 -175.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.8 t -159.0 -174.96 5.01 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 126.185 1.794 . . . . 0.0 110.391 174.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 78.2 p -141.01 172.26 12.92 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.612 1.565 . . . . 0.0 110.522 172.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.3 t -158.88 152.47 23.01 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 121.131 -0.98 . . . . 0.0 111.538 173.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -79.29 123.61 27.61 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 167.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.408 ' HB3' ' CD1' ' A' ' 3' ' ' TYR . . . -143.93 173.93 11.28 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.115 1.766 . . . . 0.0 112.077 -178.416 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.1 p -86.36 -31.61 6.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 O-C-N 121.567 -0.708 . . . . 0.0 112.75 171.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.472 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 2.1 t70 167.82 -157.79 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.077 1 C-N-CA 131.992 4.117 . . . . 0.0 107.588 176.017 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.62 -22.49 2.04 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 120.439 -1.413 . . . . 0.0 114.194 169.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.95 -4.68 13.87 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.28 1.032 . . . . 0.0 113.756 173.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.5 m -137.07 -37.29 0.65 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.482 1.513 . . . . 0.0 112.278 173.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.22 -38.73 91.34 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.726 1.21 . . . . 0.0 111.088 176.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -74.51 3.3 7.85 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 179.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.412 ' HE3' HG23 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -132.65 19.96 4.26 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 125.557 1.543 . . . . 0.0 111.729 174.447 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.412 HG23 ' HE3' ' A' ' 28' ' ' LYS . 3.8 t -124.15 -48.94 2.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 124.94 1.296 . . . . 0.0 109.892 177.731 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.581 ' HB3' HD22 ' A' ' 5' ' ' LEU . 23.7 m-85 -62.5 -29.74 70.76 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 176.187 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -55.82 -32.55 63.67 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.192 0.997 . . . . 0.0 112.249 174.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -75.47 -51.69 12.43 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.239 0.616 . . . . 0.0 109.951 -179.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -61.62 -43.6 98.55 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.896 1.278 . . . . 0.0 112.529 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.74 -50.78 71.2 Favored 'General case' 0 N--CA 1.453 -0.281 0 O-C-N 121.267 -0.896 . . . . 0.0 111.249 178.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -70.88 -18.87 62.67 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-O 117.847 -1.073 . . . . 0.0 113.5 -179.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . 0.316 1.4 p30 -88.91 -17.79 28.84 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 120.146 1.339 . . . . 0.0 114.002 172.727 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 -81.79 -40.63 22.31 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 166.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.19 -3.56 7.28 Favored Glycine 0 CA--C 1.534 1.267 0 C-N-CA 128.698 3.047 . . . . 0.0 114.909 173.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.507 HG21 ' HB3' ' A' ' 7' ' ' LEU . 16.4 t -75.41 150.01 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 CA-C-N 118.898 1.349 . . . . 0.0 111.366 179.178 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -167.76 89.59 0.3 Allowed 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 113.522 -1.672 . . . . 0.0 108.772 167.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.652 ' H ' HG22 ' A' ' 54' ' ' VAL . . . -119.15 -149.64 8.57 Favored Glycine 0 CA--C 1.534 1.275 0 N-CA-C 116.992 1.557 . . . . 0.0 116.992 -178.346 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -67.24 88.99 0.19 Allowed 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.613 1.165 . . . . 0.0 111.719 174.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 82.1 m95 -61.54 116.51 4.78 Favored 'General case' 0 C--O 1.234 0.274 0 O-C-N 120.822 -1.174 . . . . 0.0 110.381 179.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.11 163.83 24.63 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 126.862 2.065 . . . . 0.0 110.811 -171.2 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -154.72 165.2 37.31 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.344 1.058 . . . . 0.0 111.975 -178.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -143.14 151.47 40.73 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.913 2.085 . . . . 0.0 109.647 -176.033 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.47 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -123.7 5.52 8.83 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 114.994 1.479 . . . . 0.0 114.994 -177.296 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -93.49 -29.53 15.49 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.718 1.207 . . . . 0.0 110.639 169.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.73 -7.22 4.56 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.021 0.928 . . . . 0.0 113.274 -176.054 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.47 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 1.8 mmpt? 61.01 44.49 10.32 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 126.191 1.797 . . . . 0.0 112.753 179.254 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 89.2 m -117.83 108.08 14.91 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.781 0.833 . . . . 0.0 111.547 -172.273 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -63.4 159.93 17.21 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 122.025 0.917 . . . . 0.0 110.712 168.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.5 m -146.06 158.97 43.88 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 124.989 1.316 . . . . 0.0 107.942 170.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.652 HG22 ' H ' ' A' ' 41' ' ' GLY . 14.0 p -152.29 89.49 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 122.399 1.095 . . . . 0.0 111.129 177.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.481 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 18.3 m . . . . . 0 N--CA 1.472 0.653 0 CA-C-O 122.294 1.045 . . . . 0.0 112.236 -178.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.471 0.581 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 82.7 t -122.4 137.62 55.3 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 C-N-CA 125.061 1.344 . . . . 0.0 112.298 -167.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -91.16 150.12 21.51 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 124.763 1.225 . . . . 0.0 109.25 168.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.656 HG13 ' HB3' ' A' ' 113' ' ' ALA . 0.2 OUTLIER -146.37 133.51 14.6 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.261 0 CA-C-O 121.331 0.586 . . . . 0.0 110.551 169.069 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.736 0 N-CA-C 116.061 1.184 . . . . 0.0 116.061 178.53 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.5 pttp . . . . . 0 N--CA 1.487 1.376 0 N-CA-C 120.881 3.66 . . . . 0.0 120.881 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 95.8 m -47.5 -49.1 26.76 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 126.894 2.078 . . . . 0.0 114.619 -168.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -77.44 -44.84 27.66 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 119.006 0.821 . . . . 0.0 111.553 -178.14 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.434 HD12 ' N ' ' A' ' 91' ' ' GLU . 3.3 pp -62.52 -35.66 80.12 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 119.626 1.103 . . . . 0.0 111.71 177.7 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.434 ' N ' HD12 ' A' ' 90' ' ' LEU . 37.6 tt0 -64.37 -47.65 78.49 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.563 1.545 . . . . 0.0 112.027 178.581 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.8 ppt_? -66.59 -38.52 87.2 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 118.938 0.79 . . . . 0.0 111.485 171.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.36 -40.95 98.08 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 123.904 0.882 . . . . 0.0 111.702 -177.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.436 ' CE2' HG11 ' A' ' 115' ' ' VAL . 13.4 m-85 -69.42 -64.92 0.78 Allowed 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 124.076 0.95 . . . . 0.0 111.803 172.23 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -57.85 -18.62 33.33 Favored Glycine 0 CA--C 1.548 2.106 0 N-CA-C 115.706 1.043 . . . . 0.0 115.706 -175.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -53.41 -49.94 66.22 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.525 1.93 . . . . 0.0 112.879 168.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -70.69 -44.43 67.0 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.643 0.777 . . . . 0.0 111.079 178.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -168.78 160.19 33.57 Favored Glycine 0 N--CA 1.478 1.44 0 CA-C-O 118.472 -1.182 . . . . 0.0 113.266 174.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -67.06 138.63 48.23 Favored 'Trans proline' 0 CA--C 1.534 0.493 0 CA-C-N 121.417 2.609 . . . . 0.0 113.577 -169.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.497 HD13 ' CG2' ' A' ' 103' ' ' VAL . 14.7 mt -77.91 154.74 31.39 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.631 1.572 . . . . 0.0 112.181 177.658 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 26.2 ttp180 -110.02 -27.64 9.1 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 126.576 1.95 . . . . 0.0 111.975 170.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 13.8 m -157.6 151.43 24.2 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.227 1.411 . . . . 0.0 111.997 169.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.497 ' CG2' HD13 ' A' ' 100' ' ' LEU . 72.2 t -137.5 131.21 43.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 125.34 1.456 . . . . 0.0 109.046 170.378 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 65.2 t90 -137.32 144.01 42.38 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 127.326 2.251 . . . . 0.0 108.749 -178.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 35.8 m -142.95 30.05 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.352 0 CA-C-O 123.503 1.621 . . . . 0.0 112.848 -169.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.789 0 C-N-CA 130.549 3.54 . . . . 0.0 117.589 -171.457 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . 0.277 0.0 OUTLIER . . . . . 0 CA--C 1.54 0.57 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.656 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -174.6 173.07 2.94 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 127.713 2.405 . . . . 0.0 110.652 -170.274 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -145.16 141.36 28.67 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.026 0.93 . . . . 0.0 110.106 170.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.436 HG11 ' CE2' ' A' ' 94' ' ' PHE . 9.7 m -135.57 172.34 15.91 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 O-C-N 120.667 -1.27 . . . . 0.0 112.658 -177.248 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -147.67 137.97 23.04 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 124.727 1.211 . . . . 0.0 109.208 169.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.491 ' HB2' ' HB2' ' A' ' 123' ' ' ALA . 45.9 m-85 -96.75 168.83 10.27 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.18 0.992 . . . . 0.0 112.444 178.411 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -70.52 -27.74 64.41 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 172.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -144.78 126.67 8.0 Favored Pre-proline 0 CA--C 1.548 0.89 0 C-N-CA 124.569 1.148 . . . . 0.0 111.243 -172.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.457 ' HA ' ' HB3' ' A' ' 123' ' ' ALA . 62.7 Cg_endo -68.67 -20.14 40.82 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 123.582 2.855 . . . . 0.0 114.144 -174.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 21.1 ttp-105 -59.63 -49.11 79.01 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 120.211 1.369 . . . . 0.0 109.411 169.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -76.29 -33.99 59.09 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.949 -176.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.491 ' HB2' ' HB2' ' A' ' 117' ' ' PHE . . . -59.03 -43.59 91.65 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.301 0.641 . . . . 0.0 111.552 169.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -68.8 -41.86 78.13 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.636 0.775 . . . . 0.0 111.914 178.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -61.59 -41.0 96.77 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 118.515 0.598 . . . . 0.0 111.579 174.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.76 -55.75 20.82 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.343 1.057 . . . . 0.0 110.984 174.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 24.3 t -51.13 -47.54 31.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 125.271 1.429 . . . . 0.0 111.66 176.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 32.4 ttp-105 -57.62 -44.09 85.25 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.089 0.956 . . . . 0.0 111.839 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -95.73 -13.52 24.11 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 114.828 1.418 . . . . 0.0 114.828 -172.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 32.6 mt -87.01 -39.61 15.5 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.292 1.437 . . . . 0.0 113.331 175.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -63.0 149.08 45.82 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 114.621 1.341 . . . . 0.0 114.621 -169.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 61.19 -14.75 0.05 OUTLIER Glycine 0 CA--C 1.541 1.712 0 N-CA-C 120.292 2.877 . . . . 0.0 120.292 168.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 69.8 mtt85 -81.14 -65.56 1.0 Allowed 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 119.059 1.43 . . . . 0.0 113.425 -168.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 6.1 m 149.47 143.32 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.324 1 C-N-CA 131.97 4.108 . . . . 0.0 106.934 -169.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 42.3 tp -146.63 -59.59 0.29 Allowed 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.286 0.635 . . . . 0.0 111.098 175.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 15.8 t -91.62 -46.56 7.87 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.405 0.682 . . . . 0.0 110.648 171.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 155.47 51.16 0.01 OUTLIER Glycine 0 CA--C 1.533 1.195 0 N-CA-C 114.963 0.745 . . . . 0.0 114.963 170.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 5.8 t -149.27 -153.74 0.51 Allowed 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 124.503 1.121 . . . . 0.0 111.654 -172.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -110.77 61.96 0.61 Allowed 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 127.081 2.152 . . . . 0.0 110.396 -174.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 48.9 t -43.29 136.43 0.91 Allowed 'Isoleucine or valine' 0 CA--C 1.519 -0.244 0 C-N-CA 128.967 2.907 . . . . 0.0 113.932 -167.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.51 124.27 41.91 Favored 'General case' 0 CA--C 1.512 -0.505 0 C-N-CA 126.403 1.881 . . . . 0.0 106.46 169.478 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 78.5 t -141.22 115.33 5.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 105.5 -2.037 . . . . 0.0 105.5 170.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -141.69 -178.5 5.68 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 118.956 0.798 . . . . 0.0 112.871 -167.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 13.7 tp -80.61 128.73 33.95 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 120.753 -1.217 . . . . 0.0 108.272 168.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 59.9 p . . . . . 0 CA--C 1.543 0.678 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 -171.811 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 . . . . . 0 CA--C 1.545 0.755 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.413 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 86.5 m-85 -127.75 158.32 37.98 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 127.553 2.341 . . . . 0.0 108.885 176.86 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -109.51 161.88 14.91 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.945 1.298 . . . . 0.0 111.568 -179.039 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.623 HD22 ' HB3' ' A' ' 30' ' ' PHE . 17.5 tp -143.15 140.84 30.98 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 126.676 1.99 . . . . 0.0 110.547 173.495 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mp -114.9 129.8 70.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 126.644 1.978 . . . . 0.0 107.853 169.454 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.565 HD21 HD21 ' A' ' 5' ' ' LEU . 78.0 mt -106.93 69.39 0.76 Allowed 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 127.951 2.5 . . . . 0.0 110.721 173.262 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 . . . . . 0 CA--C 1.545 0.76 0 O-C-N 120.678 -1.264 . . . . 0.0 111.139 169.329 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.9 0 N-CA-C 115.716 1.747 . . . . 0.0 115.716 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -161.46 -171.0 26.91 Favored Glycine 0 C--O 1.223 -0.539 0 N-CA-C 118.537 2.175 . . . . 0.0 118.537 172.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -152.2 156.85 40.56 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.23 1.412 . . . . 0.0 111.812 178.01 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.1 t -158.45 -176.15 5.73 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 126.123 1.769 . . . . 0.0 110.074 -175.544 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 65.3 p -142.51 169.97 16.59 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.506 1.523 . . . . 0.0 111.095 176.738 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.614 HG21 ' CG1' ' A' ' 29' ' ' VAL . 4.9 t -155.65 149.56 25.39 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.328 1.051 . . . . 0.0 111.06 176.589 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -77.5 119.92 21.76 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 107.394 -1.335 . . . . 0.0 107.394 167.78 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.01 175.89 9.17 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.001 1.32 . . . . 0.0 113.43 177.358 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 68.0 t -81.4 -46.61 20.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 O-C-N 121.291 -0.881 . . . . 0.0 110.584 169.566 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.413 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 4.6 t70 178.32 -156.95 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 130.846 3.658 . . . . 0.0 106.098 177.22 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.03 -20.72 1.49 Allowed 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 120.92 1.691 . . . . 0.0 114.36 170.504 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.93 -9.71 23.34 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.452 1.101 . . . . 0.0 113.808 172.17 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 54.5 m -140.76 -31.85 0.59 Allowed 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.739 1.616 . . . . 0.0 112.518 178.86 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.416 ' HA ' HG12 ' A' ' 29' ' ' VAL . . . -68.57 -36.65 79.05 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.58 1.152 . . . . 0.0 110.62 173.25 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -78.99 6.57 9.01 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 114.832 1.419 . . . . 0.0 114.832 179.625 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.64 19.12 3.89 Favored 'General case' 0 N--CA 1.463 0.204 0 O-C-N 120.573 -1.33 . . . . 0.0 111.408 172.893 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.614 ' CG1' HG21 ' A' ' 18' ' ' THR . 3.6 p -125.73 -42.13 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 124.021 0.929 . . . . 0.0 112.263 178.248 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.623 ' HB3' HD22 ' A' ' 5' ' ' LEU . 23.2 m-85 -64.77 -26.22 68.26 Favored 'General case' 0 C--O 1.224 -0.273 0 O-C-N 121.706 -0.621 . . . . 0.0 112.246 170.261 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.406 ' HD3' ' CZ2' ' A' ' 43' ' ' TRP . 33.8 mmtp -56.67 -28.38 60.64 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.883 1.273 . . . . 0.0 112.855 173.935 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -79.85 -52.22 8.17 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 118.706 0.685 . . . . 0.0 110.79 176.645 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -62.48 -41.0 98.49 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.215 1.006 . . . . 0.0 112.222 -179.337 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.49 -49.51 77.26 Favored 'General case' 0 N--CA 1.453 -0.286 0 O-C-N 121.317 -0.864 . . . . 0.0 111.426 -179.355 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 59.0 m-80 -69.91 -19.98 63.38 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 178.708 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -79.54 -30.91 41.95 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 173.639 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 57.5 m-80 -80.83 -32.28 35.24 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 118.4 0.545 . . . . 0.0 109.549 168.688 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.36 12.93 9.3 Favored Glycine 0 CA--C 1.53 1.003 0 C-N-CA 128.125 2.774 . . . . 0.0 116.2 169.193 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 51.9 t -92.6 150.82 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.881 1.273 . . . . 0.0 112.105 172.721 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -165.22 51.35 0.1 Allowed 'General case' 0 CA--C 1.548 0.886 0 CA-C-O 123.03 1.395 . . . . 0.0 110.276 168.414 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -75.85 -149.25 2.47 Favored Glycine 0 CA--C 1.544 1.883 0 C-N-CA 125.304 1.431 . . . . 0.0 115.767 178.874 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -69.22 92.9 0.58 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.275 1.43 . . . . 0.0 112.438 179.827 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.406 ' CZ2' ' HD3' ' A' ' 31' ' ' LYS . 96.0 m95 -65.41 113.1 3.87 Favored 'General case' 0 C--O 1.235 0.339 0 O-C-N 120.677 -1.264 . . . . 0.0 109.975 179.526 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 24.6 m -133.07 161.53 34.13 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 127.898 2.479 . . . . 0.0 108.502 -169.215 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -155.07 167.71 29.46 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.855 1.262 . . . . 0.0 111.116 -169.659 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -141.37 150.43 42.4 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.23 1.412 . . . . 0.0 110.368 176.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.474 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -115.49 5.09 14.38 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 -176.61 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -102.46 -29.78 11.4 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.782 1.633 . . . . 0.0 111.71 171.234 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.0 t -125.45 2.04 7.67 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.329 1.052 . . . . 0.0 113.469 178.053 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.474 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 3.2 mmpt? 51.29 42.61 29.17 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.032 1.333 . . . . 0.0 113.191 168.821 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.8 m -120.62 111.74 18.02 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 125.907 1.683 . . . . 0.0 109.0 -171.355 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -65.04 156.63 30.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 122.1 0.952 . . . . 0.0 109.836 169.173 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.5 m -146.73 137.1 23.71 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 106.737 -1.579 . . . . 0.0 106.737 169.745 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.412 ' CG1' HD23 ' A' ' 7' ' ' LEU . 8.6 p -131.04 125.74 58.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 175.681 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 89.9 m . . . . . 0 N--CA 1.469 0.478 0 C-N-CA 123.203 0.601 . . . . 0.0 110.475 -169.848 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 54.9 mttp . . . . . 0 N--CA 1.47 0.525 0 CA-C-O 122.226 1.012 . . . . 0.0 112.139 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.3 t -139.53 137.75 40.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 125.953 1.701 . . . . 0.0 111.539 -170.082 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -88.85 146.54 24.9 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 125.65 1.58 . . . . 0.0 108.006 167.666 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -149.15 154.57 9.4 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.441 0 CA-C-O 122.316 1.055 . . . . 0.0 111.333 171.031 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.744 0 N-CA-C 108.367 -1.893 . . . . 0.0 108.367 168.095 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.472 0.657 0 N-CA-C 115.767 1.766 . . . . 0.0 115.767 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 32.8 m -51.54 -64.19 0.89 Allowed 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 115.584 1.698 . . . . 0.0 115.584 -168.133 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -75.06 -41.42 59.05 Favored 'General case' 0 CA--C 1.53 0.183 0 O-C-N 121.041 -1.037 . . . . 0.0 110.857 -174.682 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.9 pp -58.79 -35.93 73.62 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 119.551 1.069 . . . . 0.0 111.806 176.033 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -60.93 -48.13 83.23 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 119.578 1.081 . . . . 0.0 112.335 174.57 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.94 -40.1 91.05 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 119.564 1.075 . . . . 0.0 111.992 174.36 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.8 -39.21 93.71 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 124.427 1.091 . . . . 0.0 112.018 -178.01 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.476 ' CD2' HG21 ' A' ' 115' ' ' VAL . 10.7 m-85 -72.07 -63.15 1.2 Allowed 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 125.346 1.458 . . . . 0.0 111.968 173.301 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -62.09 -13.8 43.48 Favored Glycine 0 CA--C 1.544 1.856 0 N-CA-C 115.557 0.983 . . . . 0.0 115.557 -176.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -55.07 -47.1 75.31 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.629 1.571 . . . . 0.0 111.695 167.392 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -67.39 -45.33 76.52 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.773 0.829 . . . . 0.0 110.116 172.776 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 174.46 165.02 30.31 Favored Glycine 0 N--CA 1.476 1.301 0 N-CA-C 115.363 0.905 . . . . 0.0 115.363 169.082 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -57.65 138.74 87.59 Favored 'Trans proline' 0 CA--C 1.536 0.591 0 C-N-CA 122.744 2.296 . . . . 0.0 114.688 -168.277 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.419 ' HA ' ' HA ' ' A' ' 117' ' ' PHE . 0.2 OUTLIER -118.04 142.47 47.36 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.019 1.328 . . . . 0.0 112.101 173.514 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 15.3 ttm-85 -75.17 -33.9 61.52 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.802 1.641 . . . . 0.0 111.128 179.754 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 14.3 m -151.4 153.18 34.21 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 113.502 0.926 . . . . 0.0 113.502 178.822 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 2.4 m -130.13 137.96 55.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 C-N-CA 128.558 2.743 . . . . 0.0 106.85 169.869 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.45 ' CH2' ' HA ' ' A' ' 106' ' ' ALA . 73.9 t90 -141.79 147.92 38.07 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 124.933 1.293 . . . . 0.0 110.798 -175.559 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 24.3 m -143.26 154.49 16.73 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 C-N-CA 125.607 1.563 . . . . 0.0 109.271 174.414 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.45 ' HA ' ' CH2' ' A' ' 104' ' ' TRP . . . . . . . . 0 CA--C 1.538 0.491 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -170.308 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . 0.262 1.8 p90 . . . . . 0 CA--C 1.548 0.876 0 CA-C-O 121.727 0.775 . . . . 0.0 111.742 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -157.0 172.02 19.43 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 127.796 2.439 . . . . 0.0 112.575 -167.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -145.46 168.43 20.57 Favored 'General case' 0 N--CA 1.484 1.244 0 O-C-N 121.34 -0.85 . . . . 0.0 112.651 172.919 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.476 HG21 ' CD2' ' A' ' 94' ' ' PHE . 1.4 t -153.12 162.26 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 126.112 1.765 . . . . 0.0 111.824 -174.898 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -137.58 107.65 6.37 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.257 1.023 . . . . 0.0 109.666 165.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.419 ' HA ' ' HA ' ' A' ' 100' ' ' LEU . 44.8 m-85 -78.05 152.68 32.85 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.74 1.616 . . . . 0.0 111.452 169.563 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -73.98 -57.03 4.24 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.297 -0.877 . . . . 0.0 111.757 176.648 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -82.52 124.29 77.9 Favored Pre-proline 0 CA--C 1.545 0.78 0 O-C-N 121.462 -0.774 . . . . 0.0 109.431 173.445 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -61.33 -20.07 66.71 Favored 'Trans proline' 0 CA--C 1.539 0.73 0 C-N-CA 121.82 1.68 . . . . 0.0 112.976 172.932 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.54 -27.25 62.11 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 120.979 -1.076 . . . . 0.0 112.709 169.921 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -67.91 -43.79 78.44 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 120.009 1.277 . . . . 0.0 110.296 169.726 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.08 -40.29 93.14 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 122.957 0.503 . . . . 0.0 112.244 172.002 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.28 -48.76 76.77 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 118.735 0.698 . . . . 0.0 112.196 174.757 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -60.2 -39.6 87.12 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.433 1.015 . . . . 0.0 112.499 174.387 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.25 -59.22 5.65 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 123.848 0.859 . . . . 0.0 109.779 175.672 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 45.0 t -49.09 -45.43 16.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 CA-C-N 119.752 1.16 . . . . 0.0 112.287 173.768 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -63.39 -36.94 85.38 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 126.142 1.777 . . . . 0.0 112.772 -176.014 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -106.34 -19.43 13.7 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 -176.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 94.9 mt -97.38 -33.24 11.49 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.082 1.353 . . . . 0.0 113.931 -177.666 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -64.91 113.38 3.81 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 120.261 1.391 . . . . 0.0 112.599 -169.824 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 70.65 14.9 72.94 Favored Glycine 0 CA--C 1.54 1.622 0 N-CA-C 115.14 0.816 . . . . 0.0 115.14 -173.449 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.01 97.46 6.96 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 126.107 1.763 . . . . 0.0 110.005 178.953 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 19.0 m -9.47 110.01 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 130.463 3.505 . . . . 0.0 114.99 171.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.85 138.59 25.75 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 127.786 2.434 . . . . 0.0 105.836 -179.479 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 68.5 m 64.68 -41.0 0.27 Allowed 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 126.478 1.911 . . . . 0.0 111.55 -166.23 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 113.63 47.79 0.61 Allowed Glycine 0 CA--C 1.528 0.894 0 N-CA-C 119.126 2.41 . . . . 0.0 119.126 165.763 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 4.7 t -151.83 -39.27 0.11 Allowed 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 118.634 1.217 . . . . 0.0 112.994 169.073 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.96 156.9 1.82 Allowed 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 128.029 2.532 . . . . 0.0 110.618 169.12 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 32.9 m -141.73 162.47 20.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 169.851 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . 0.431 HH11 ' HG2' ' A' ' 141' ' ' ARG . 0.0 OUTLIER -133.3 141.1 47.81 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 129.174 2.989 . . . . 0.0 106.747 169.042 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 60.2 t -149.4 124.65 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 CA-C-N 119.846 1.203 . . . . 0.0 108.653 169.551 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -140.84 167.53 21.96 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 120.356 1.434 . . . . 0.0 111.101 178.938 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 71.1 mt -74.6 147.73 41.4 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 120.067 -1.645 . . . . 0.0 108.367 168.331 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 87.9 p . . . . . 0 N--CA 1.473 0.694 0 CA-C-N 119.321 0.964 . . . . 0.0 111.796 -178.892 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 . . . . . 0 N--CA 1.47 0.527 0 CA-C-O 121.198 0.523 . . . . 0.0 111.468 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.423 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 86.9 m-85 -125.82 154.27 42.86 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 126.644 1.978 . . . . 0.0 108.762 -175.701 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -105.05 161.46 14.2 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.512 1.125 . . . . 0.0 111.375 -179.587 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.643 HD22 ' HB3' ' A' ' 30' ' ' PHE . 13.3 tp -142.98 139.47 30.64 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 126.145 1.778 . . . . 0.0 110.31 172.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mp -116.04 111.31 34.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 126.128 1.771 . . . . 0.0 108.444 171.756 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.482 HD21 HD21 ' A' ' 5' ' ' LEU . 71.3 mt -80.92 72.12 7.91 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.893 1.677 . . . . 0.0 110.597 169.707 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 57.3 m-20 . . . . . 0 CA--C 1.561 1.393 0 C-N-CA 125.956 1.702 . . . . 0.0 114.348 169.571 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.321 0 N-CA-C 117.261 2.319 . . . . 0.0 117.261 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -175.3 -153.91 10.72 Favored Glycine 0 CA--C 1.529 0.948 0 N-CA-C 116.691 1.436 . . . . 0.0 116.691 169.966 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -152.51 159.36 43.32 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 119.12 1.46 . . . . 0.0 113.776 -173.15 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.7 t -158.85 -175.84 5.52 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.555 1.942 . . . . 0.0 110.675 -177.148 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.7 p -141.49 171.96 13.34 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.564 1.546 . . . . 0.0 110.987 173.748 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.63 HG21 HG11 ' A' ' 29' ' ' VAL . 4.4 t -156.68 155.02 31.02 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.592 1.157 . . . . 0.0 110.921 179.496 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -85.29 125.63 33.07 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 107.745 -1.205 . . . . 0.0 107.745 167.658 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.408 ' HB3' ' CD1' ' A' ' 3' ' ' TYR . . . -143.09 173.34 11.66 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.921 1.688 . . . . 0.0 112.735 179.429 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.3 p -87.25 -31.06 5.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 O-C-N 121.24 -0.912 . . . . 0.0 112.94 170.896 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.423 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 2.5 t70 168.12 -157.68 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.074 1 C-N-CA 132.488 4.315 . . . . 0.0 107.102 173.71 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.63 -22.66 2.13 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 120.593 1.542 . . . . 0.0 114.415 171.755 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.95 -8.43 22.54 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.181 0.992 . . . . 0.0 113.612 173.347 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.4 m -134.71 -36.17 0.86 Allowed 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 125.692 1.597 . . . . 0.0 112.436 173.411 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.452 ' HA ' HG12 ' A' ' 29' ' ' VAL . . . -64.67 -35.14 80.08 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.301 1.041 . . . . 0.0 110.692 176.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -78.14 5.49 10.02 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 176.608 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.68 20.23 3.31 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 120.335 -1.478 . . . . 0.0 111.755 174.795 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.63 HG11 HG21 ' A' ' 18' ' ' THR . 4.0 p -123.98 -42.23 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 C-N-CA 124.37 1.068 . . . . 0.0 111.905 177.126 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.643 ' HB3' HD22 ' A' ' 5' ' ' LEU . 24.6 m-85 -68.64 -25.15 64.69 Favored 'General case' 0 C--O 1.226 -0.166 0 C-N-CA 123.565 0.746 . . . . 0.0 112.875 173.421 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.403 ' HD3' ' CZ2' ' A' ' 43' ' ' TRP . 34.1 mmtp -54.82 -30.58 57.69 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.264 1.426 . . . . 0.0 112.997 175.132 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -81.7 -50.64 9.06 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.94 0.896 . . . . 0.0 110.67 179.408 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -60.1 -41.88 93.48 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.273 1.029 . . . . 0.0 112.101 177.327 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.21 -53.06 62.59 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.7 0.8 . . . . 0.0 111.015 178.861 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 -65.79 -23.25 66.66 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.012 0.925 . . . . 0.0 113.195 178.4 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -80.05 -29.99 39.32 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 118.9 0.773 . . . . 0.0 112.955 176.09 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 54.7 m-80 -76.59 -44.62 33.67 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 168.026 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 126.04 14.59 3.01 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 128.258 2.837 . . . . 0.0 115.5 171.864 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.447 HG21 ' HB3' ' A' ' 7' ' ' LEU . 93.7 t -87.95 151.34 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 125.595 1.558 . . . . 0.0 111.479 170.159 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -166.48 46.43 0.07 Allowed 'General case' 0 CA--C 1.548 0.897 0 CA-C-O 122.272 1.034 . . . . 0.0 111.121 168.109 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -72.14 -157.57 3.38 Favored Glycine 0 CA--C 1.54 1.644 0 C-N-CA 125.371 1.462 . . . . 0.0 115.835 -176.327 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.427 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 3.5 pt-20 -62.0 125.09 22.66 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 121.137 -1.214 . . . . 0.0 108.865 170.844 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.403 ' CZ2' ' HD3' ' A' ' 31' ' ' LYS . 89.0 m95 -91.55 133.0 35.9 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.473 1.033 . . . . 0.0 110.374 178.186 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -139.12 160.91 38.68 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 127.462 2.305 . . . . 0.0 109.532 -173.325 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -155.01 166.31 33.98 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.216 1.406 . . . . 0.0 110.69 -173.577 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -140.54 139.02 34.95 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.977 1.311 . . . . 0.0 110.445 175.451 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.496 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 31.6 t70 -93.54 -8.55 41.03 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 114.906 1.447 . . . . 0.0 114.906 -175.459 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -102.68 -28.72 11.95 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.172 1.389 . . . . 0.0 112.001 -178.548 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.6 t -117.03 -0.24 12.21 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.103 0.961 . . . . 0.0 113.129 175.65 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.496 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 3.6 mmpt? 51.08 42.47 28.64 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.565 1.546 . . . . 0.0 113.01 169.564 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 51.6 m -123.14 112.03 17.23 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 125.553 1.541 . . . . 0.0 109.259 -171.475 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -67.1 158.71 30.45 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 124.177 0.991 . . . . 0.0 110.487 169.492 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 22.9 m -149.52 130.24 14.12 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 171.742 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.427 ' HA ' ' O ' ' A' ' 42' ' ' GLU . 13.1 p -122.12 110.93 28.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 124.57 1.148 . . . . 0.0 109.984 177.402 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 99.1 m . . . . . 0 N--CA 1.471 0.607 0 C-N-CA 123.76 0.824 . . . . 0.0 109.7 -169.94 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 23.4 tttp . . . . . 0 N--CA 1.473 0.698 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 39.2 t -116.28 137.83 48.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 CA-C-O 121.946 0.879 . . . . 0.0 112.603 -167.482 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -95.88 150.43 20.44 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 127.447 2.299 . . . . 0.0 110.344 169.695 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.463 HG13 ' HB3' ' A' ' 113' ' ' ALA . 0.2 OUTLIER -147.96 140.35 18.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.346 0.593 . . . . 0.0 110.857 169.474 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.119 0 N-CA-C 116.655 1.422 . . . . 0.0 116.655 -179.172 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.222 -0.38 0 N-CA-C 116.436 2.013 . . . . 0.0 116.436 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 60.0 m -51.32 -56.29 13.87 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 115.725 1.75 . . . . 0.0 115.725 -168.962 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -74.44 -44.36 52.12 Favored 'General case' 0 C--N 1.344 0.327 0 CA-C-N 119.832 1.196 . . . . 0.0 110.924 -178.628 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . 0.255 3.5 pp -59.87 -36.19 76.39 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 119.72 1.145 . . . . 0.0 112.073 179.206 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -60.0 -49.84 76.07 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 124.308 1.043 . . . . 0.0 112.589 172.746 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.2 ppt_? -63.83 -35.69 81.44 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 119.732 1.151 . . . . 0.0 112.216 173.506 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.93 -41.15 71.56 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 123.616 0.767 . . . . 0.0 111.997 -175.056 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.686 ' CD1' HD23 ' A' ' 130' ' ' LEU . 15.7 m-85 -67.86 -61.61 1.79 Allowed 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 123.812 0.845 . . . . 0.0 110.141 172.194 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.39 -18.11 42.14 Favored Glycine 0 CA--C 1.546 2.006 0 N-CA-C 115.695 1.038 . . . . 0.0 115.695 -176.934 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -55.2 -48.12 74.31 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 126.028 1.731 . . . . 0.0 112.165 167.882 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.421 ' HE2' HD22 ' A' ' 130' ' ' LEU . 93.3 m-85 -67.18 -43.38 82.31 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.71 0.804 . . . . 0.0 110.453 174.02 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 177.29 164.36 30.79 Favored Glycine 0 N--CA 1.476 1.331 0 CA-C-O 119.028 -0.873 . . . . 0.0 114.571 169.495 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -57.66 129.39 33.4 Favored 'Trans proline' 0 N--CA 1.46 -0.492 0 C-N-CA 122.667 2.245 . . . . 0.0 115.121 -168.312 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.655 HD11 ' HB2' ' A' ' 94' ' ' PHE . 19.2 mt -73.58 157.69 36.21 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 113.006 -1.906 . . . . 0.0 111.728 170.08 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -118.18 -30.62 5.24 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.015 1.326 . . . . 0.0 111.537 172.406 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 7.5 m -141.17 142.37 34.03 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.438 1.095 . . . . 0.0 110.693 171.557 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.57 ' CG2' HD13 ' A' ' 100' ' ' LEU . 15.4 t -140.94 124.5 16.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 124.86 1.264 . . . . 0.0 108.374 176.618 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 83.7 t90 -141.67 148.47 39.19 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 125.087 1.355 . . . . 0.0 111.419 -171.071 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 4.8 m -140.41 149.83 21.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 124.672 1.189 . . . . 0.0 109.145 171.024 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.51 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 -169.757 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.536 0.435 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.463 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -161.11 171.67 18.13 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.875 1.27 . . . . 0.0 113.23 -168.187 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -145.28 149.0 34.07 Favored 'General case' 0 N--CA 1.48 1.029 0 O-C-N 121.946 -0.471 . . . . 0.0 111.634 171.852 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.5 HG11 ' CE2' ' A' ' 94' ' ' PHE . 14.6 m -138.65 170.3 16.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 CA-C-O 122.281 1.038 . . . . 0.0 112.555 178.057 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -149.37 117.59 6.41 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 124.856 1.262 . . . . 0.0 108.781 176.57 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.405 ' HA ' ' HA ' ' A' ' 100' ' ' LEU . 58.6 m-85 -80.66 156.17 26.46 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 121.711 0.767 . . . . 0.0 112.142 177.301 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -70.48 -18.31 62.97 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.45 0.7 . . . . 0.0 112.517 177.248 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -139.3 136.68 18.16 Favored Pre-proline 0 CA--C 1.553 1.06 0 C-N-CA 127.894 2.477 . . . . 0.0 110.339 178.782 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -71.81 -20.9 25.55 Favored 'Trans proline' 0 CA--C 1.537 0.641 0 C-N-CA 123.001 2.467 . . . . 0.0 114.448 -174.087 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.43 -29.6 53.01 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 120.917 -1.114 . . . . 0.0 111.218 174.282 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -62.53 -45.18 94.17 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 119.271 0.942 . . . . 0.0 109.908 168.904 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.66 -41.52 95.16 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 118.695 -0.669 . . . . 0.0 112.728 173.214 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.78 -43.25 84.46 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 119.813 1.188 . . . . 0.0 113.29 178.075 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -58.13 -41.43 83.64 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 121.359 -0.838 . . . . 0.0 110.922 173.094 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.82 -46.23 79.35 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.667 -0.645 . . . . 0.0 111.422 173.385 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.94 -15.66 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 O-C-N 120.526 -1.359 . . . . 0.0 114.191 -177.079 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -121.4 -5.15 9.35 Favored 'General case' 0 N--CA 1.485 1.302 0 N-CA-C 118.121 2.637 . . . . 0.0 118.121 170.594 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -114.54 -20.52 10.71 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-N 120.746 1.612 . . . . 0.0 114.484 170.718 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.686 HD23 ' CD1' ' A' ' 94' ' ' PHE . 7.5 tp -98.67 -21.21 16.55 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.629 1.572 . . . . 0.0 112.335 179.572 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -68.17 144.27 55.04 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.441 1.497 . . . . 0.0 112.498 169.94 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 72.91 -40.26 0.82 Allowed Glycine 0 CA--C 1.537 1.442 0 C-N-CA 126.538 2.018 . . . . 0.0 117.672 170.382 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -51.58 -51.19 57.47 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 125.77 1.628 . . . . 0.0 115.23 -168.753 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 6.9 m 140.91 143.67 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.281 1 C-N-CA 132.36 4.264 . . . . 0.0 107.35 -174.306 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 43.0 tp -161.8 133.62 5.56 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 -179.417 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 49.4 t 61.39 -48.47 0.13 Allowed 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.932 2.093 . . . . 0.0 112.131 -168.163 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 173.2 20.03 0.02 OUTLIER Glycine 0 C--N 1.345 1.047 0 N-CA-C 118.69 2.236 . . . . 0.0 118.69 168.426 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 46.0 t -154.78 175.98 13.04 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 118.703 1.251 . . . . 0.0 108.499 -172.623 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -65.17 130.17 42.38 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 178.001 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 11.2 p -116.68 144.69 23.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 C-N-CA 125.069 1.347 . . . . 0.0 110.045 -169.639 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 17.4 mtp85 -109.75 136.99 48.2 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 106.548 -1.649 . . . . 0.0 106.548 168.964 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 71.2 t -143.63 118.49 4.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 170.842 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -142.86 158.97 43.1 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 119.799 1.181 . . . . 0.0 111.95 -172.381 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 41.3 mt -80.73 153.08 28.03 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 120.656 -1.278 . . . . 0.0 109.588 169.556 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 32.3 t . . . . . 0 N--CA 1.479 0.992 0 C-N-CA 126.934 2.093 . . . . 0.0 115.27 172.823 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 . . . . . 0 CA--C 1.545 0.773 0 CA-C-O 120.975 0.417 . . . . 0.0 111.66 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.436 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 91.6 m-85 -127.14 154.78 44.33 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 127.595 2.358 . . . . 0.0 108.909 -178.446 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -110.3 162.73 14.34 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.646 1.178 . . . . 0.0 111.76 -177.659 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.59 HD21 HD21 ' A' ' 7' ' ' LEU . 13.5 tp -145.33 139.41 27.02 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 126.805 2.042 . . . . 0.0 110.915 174.337 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mp -118.49 109.01 25.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 126.496 1.918 . . . . 0.0 109.152 173.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.59 HD21 HD21 ' A' ' 5' ' ' LEU . 55.4 mt -81.32 72.05 8.34 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.48 1.912 . . . . 0.0 111.017 170.58 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 . . . . . 0 CA--C 1.56 1.358 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 173.215 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.467 0.394 0 N-CA-C 116.112 1.893 . . . . 0.0 116.112 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -165.98 -165.01 22.62 Favored Glycine 0 C--O 1.226 -0.383 0 N-CA-C 117.211 1.644 . . . . 0.0 117.211 171.318 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -152.73 157.08 40.34 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.741 1.216 . . . . 0.0 112.371 -179.4 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.0 t -156.83 -176.03 5.75 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 126.333 1.853 . . . . 0.0 109.805 -177.213 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 56.6 p -143.72 171.37 14.29 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.793 1.637 . . . . 0.0 110.856 176.599 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.2 t -155.59 154.66 32.03 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.104 0.961 . . . . 0.0 111.028 171.348 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -82.91 116.56 22.26 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 168.843 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -138.43 177.8 7.62 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.687 1.595 . . . . 0.0 112.599 -178.569 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.5 p -83.28 -39.43 15.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 O-C-N 120.977 -1.077 . . . . 0.0 111.683 169.408 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.436 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 3.9 t70 173.01 -160.39 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 131.486 3.914 . . . . 0.0 106.815 -179.326 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.56 -20.56 1.99 Allowed 'General case' 0 CA--C 1.545 0.786 0 O-C-N 120.113 -1.617 . . . . 0.0 114.422 170.64 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.93 -5.68 18.18 Favored 'General case' 0 CA--C 1.546 0.825 0 O-C-N 120.848 -1.158 . . . . 0.0 113.523 173.031 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.1 m -137.22 -37.27 0.64 Allowed 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.988 1.715 . . . . 0.0 112.348 173.681 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.96 -38.17 85.61 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.92 1.288 . . . . 0.0 111.173 177.184 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -75.62 4.83 6.94 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 178.637 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.84 18.56 4.64 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 125.182 1.393 . . . . 0.0 111.482 172.227 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.2 t -119.07 -52.96 3.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 125.292 1.437 . . . . 0.0 110.099 178.057 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.546 ' HB3' HD22 ' A' ' 5' ' ' LEU . 23.3 m-85 -61.98 -26.6 68.31 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 176.947 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -54.46 -29.74 50.72 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.732 1.213 . . . . 0.0 113.178 175.088 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -81.32 -55.75 4.51 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.386 0.674 . . . . 0.0 109.613 177.325 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -58.99 -42.25 89.59 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.213 1.005 . . . . 0.0 112.458 -177.173 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.05 -51.77 67.93 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.01 0.924 . . . . 0.0 111.807 176.826 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 62.8 m-80 -72.11 -16.66 62.01 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 177.322 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -77.54 -31.57 53.37 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 119.494 1.043 . . . . 0.0 112.108 171.556 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -78.13 -40.55 37.76 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 168.331 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 118.8 6.74 11.08 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 128.868 3.128 . . . . 0.0 114.742 171.111 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.9 t -79.19 144.85 10.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 124.216 1.006 . . . . 0.0 110.943 173.369 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -164.86 63.81 0.13 Allowed 'General case' 0 CA--C 1.55 0.969 0 CA-C-O 122.577 1.179 . . . . 0.0 112.377 168.89 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.423 ' H ' HG22 ' A' ' 54' ' ' VAL . . . -91.99 -137.74 7.87 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 125.613 1.578 . . . . 0.0 115.805 176.019 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -68.54 86.96 0.31 Allowed 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.259 1.424 . . . . 0.0 112.984 -174.662 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 73.9 m95 -62.79 109.16 1.34 Allowed 'General case' 0 N--CA 1.467 0.413 0 O-C-N 120.384 -1.447 . . . . 0.0 109.785 179.445 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 75.3 m -134.07 162.03 33.22 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 126.86 2.064 . . . . 0.0 109.103 -169.383 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -154.9 165.13 37.66 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.638 1.575 . . . . 0.0 110.613 -173.575 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -142.54 156.0 45.07 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 126.338 1.855 . . . . 0.0 110.345 -174.298 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.434 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -126.24 1.93 7.1 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 114.884 1.438 . . . . 0.0 114.884 -177.379 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -89.36 -30.06 18.66 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.428 1.091 . . . . 0.0 110.309 169.332 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.04 -7.75 3.89 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 -175.586 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.434 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 1.2 mmpt? 60.68 46.71 8.89 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.328 1.851 . . . . 0.0 112.679 179.037 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 63.6 m -120.46 112.87 19.51 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.184 0.994 . . . . 0.0 111.695 -171.843 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -66.4 159.15 27.57 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.917 0.887 . . . . 0.0 111.524 169.27 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 52.8 m -146.72 153.67 40.52 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.532 1.533 . . . . 0.0 108.353 169.794 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.423 HG22 ' H ' ' A' ' 41' ' ' GLY 0.263 8.1 p -148.0 64.35 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 CA-C-O 123.204 1.478 . . . . 0.0 111.709 -177.228 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.3 m . . . . . 0 N--CA 1.474 0.761 0 C-N-CA 125.54 1.536 . . . . 0.0 112.928 -177.027 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 116' ' ' GLU . 63.3 mttp . . . . . 0 N--CA 1.471 0.592 0 CA-C-O 121.644 0.735 . . . . 0.0 111.925 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 73.0 t -133.64 149.64 31.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 125.853 1.661 . . . . 0.0 110.072 -174.637 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -112.85 140.83 47.31 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 127.106 2.162 . . . . 0.0 109.255 177.231 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.487 HG13 ' HB3' ' A' ' 113' ' ' ALA . 6.1 p -144.23 142.28 24.1 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 C-N-CA 123.342 0.657 . . . . 0.0 112.442 177.46 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.172 0 N-CA-C 116.519 1.368 . . . . 0.0 116.519 177.837 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.4 ptmm? . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 115.268 1.581 . . . . 0.0 115.268 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 52.0 m -49.59 -52.92 26.86 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 115.673 1.731 . . . . 0.0 115.673 -168.125 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -66.05 -55.4 16.81 Favored 'General case' 0 C--N 1.339 0.12 0 CA-C-N 119.035 0.834 . . . . 0.0 110.934 -179.564 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.9 pp -61.89 -35.03 77.15 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -177.247 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -58.63 -43.28 89.66 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.505 1.122 . . . . 0.0 112.188 172.859 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.44 -41.88 72.29 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 118.803 0.728 . . . . 0.0 111.913 172.318 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.06 -44.33 82.93 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.226 1.01 . . . . 0.0 112.442 177.955 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.538 ' CD2' HG21 ' A' ' 115' ' ' VAL . 18.6 m-85 -70.75 -60.99 1.94 Allowed 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 125.953 1.701 . . . . 0.0 111.942 175.853 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -65.64 -12.48 56.61 Favored Glycine 0 CA--C 1.542 1.767 0 C-N-CA 120.213 -0.994 . . . . 0.0 115.085 -173.965 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -58.42 -49.19 78.17 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.208 1.803 . . . . 0.0 112.365 168.196 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -62.9 -42.08 99.66 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 118.448 0.567 . . . . 0.0 109.693 172.82 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 178.39 157.98 20.15 Favored Glycine 0 N--CA 1.475 1.242 0 CA-C-O 118.869 -0.962 . . . . 0.0 114.731 168.772 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -58.35 142.34 97.57 Favored 'Trans proline' 0 CA--C 1.536 0.618 0 C-N-CA 122.421 2.08 . . . . 0.0 113.733 -169.1 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.459 HD22 HG22 ' A' ' 103' ' ' VAL . 0.2 OUTLIER -127.17 150.75 49.37 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.092 1.357 . . . . 0.0 112.468 179.261 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 18.6 ttm180 -93.95 -38.47 11.17 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.666 1.586 . . . . 0.0 112.97 -169.662 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.0 m -136.55 140.58 43.03 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.933 0.893 . . . . 0.0 109.833 -175.897 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.459 HG22 HD22 ' A' ' 100' ' ' LEU . 19.0 t -145.52 129.69 11.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 124.702 1.201 . . . . 0.0 107.957 -178.925 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 83.0 t90 -142.84 150.19 39.57 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 124.331 1.052 . . . . 0.0 111.208 -169.947 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.464 HG12 ' HB1' ' A' ' 113' ' ' ALA . 14.0 m -140.39 151.82 21.24 Favored 'Isoleucine or valine' 0 C--O 1.238 0.47 0 C-N-CA 124.031 0.932 . . . . 0.0 109.181 169.65 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.634 0 C-N-CA 123.846 0.858 . . . . 0.0 113.173 178.966 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 69.6 t80 . . . . . 0 CA--C 1.546 0.804 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.487 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -164.57 170.71 15.44 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 126.364 1.866 . . . . 0.0 112.477 -168.555 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -144.0 163.34 33.78 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 -174.849 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.538 HG21 ' CD2' ' A' ' 94' ' ' PHE . 1.4 t -146.21 163.21 10.02 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 126.006 1.722 . . . . 0.0 111.853 -175.37 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.418 ' HA ' ' HA ' ' A' ' 75' ' ' LYS . 62.0 tt0 -142.07 99.27 3.49 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.799 2.04 . . . . 0.0 111.153 169.556 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -68.97 173.83 5.06 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.034 0.934 . . . . 0.0 112.836 170.497 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -119.08 0.63 11.31 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.251 1.02 . . . . 0.0 113.421 -179.429 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -148.34 125.48 5.58 Favored Pre-proline 0 CA--C 1.547 0.845 0 O-C-N 120.607 -1.308 . . . . 0.0 110.376 177.855 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -69.15 -24.31 32.62 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 123.131 2.554 . . . . 0.0 113.779 -173.716 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 22.8 ttp-105 -61.17 -51.42 69.12 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 119.765 1.166 . . . . 0.0 110.338 170.309 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -75.05 -35.87 61.85 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.318 -174.899 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.85 -37.55 87.79 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 122.964 0.506 . . . . 0.0 112.311 171.173 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -68.37 -45.7 72.07 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 119.297 0.953 . . . . 0.0 111.938 174.917 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.81 -42.97 80.48 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.232 0.613 . . . . 0.0 111.394 172.415 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.99 -57.91 9.88 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.112 0.565 . . . . 0.0 110.463 174.766 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 24.3 t -52.9 -35.11 21.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 125.428 1.491 . . . . 0.0 113.785 178.965 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.65 -1.92 36.8 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 114.676 1.361 . . . . 0.0 114.676 -174.684 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -116.46 -22.95 8.5 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.169 0.987 . . . . 0.0 113.034 169.543 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.408 HD13 ' CE1' ' A' ' 94' ' ' PHE . 86.3 mt -91.17 6.71 43.96 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 126.544 1.937 . . . . 0.0 111.787 169.142 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 22.0 p30 -42.59 -27.56 0.17 Allowed 'General case' 0 CA--C 1.553 1.066 0 N-CA-C 119.519 3.155 . . . . 0.0 119.519 -169.688 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 164.55 -27.1 0.2 Allowed Glycine 0 CA--C 1.533 1.183 0 C-N-CA 124.809 1.195 . . . . 0.0 115.933 -169.825 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 19.2 mtt180 -40.72 -70.11 0.11 Allowed 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 126.918 2.087 . . . . 0.0 115.127 -169.596 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 2.0 m 174.3 154.75 0.12 Allowed 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 131.334 3.854 . . . . 0.0 106.587 -177.768 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -138.2 -63.19 0.56 Allowed 'General case' 0 N--CA 1.478 0.954 0 CA-C-N 118.54 0.609 . . . . 0.0 111.025 172.194 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 2.7 t -82.67 -51.22 7.93 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 118.781 0.719 . . . . 0.0 109.852 169.254 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 170.31 33.32 0.02 OUTLIER Glycine 0 N--CA 1.476 1.337 0 CA-C-O 121.728 0.627 . . . . 0.0 113.87 177.434 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -161.9 157.76 24.36 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 128.8 2.84 . . . . 0.0 106.649 -168.235 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -69.29 130.59 43.03 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.202 0.601 . . . . 0.0 109.745 -169.356 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 7.5 p -109.21 56.77 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 126.424 1.89 . . . . 0.0 109.013 -169.979 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.95 113.08 2.12 Favored 'General case' 0 N--CA 1.479 0.983 0 O-C-N 120.786 -1.196 . . . . 0.0 109.504 -171.137 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 6.4 t -120.99 143.82 31.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 123.094 0.558 . . . . 0.0 111.106 -172.645 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -140.58 172.32 12.87 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.417 1.087 . . . . 0.0 110.916 171.008 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 6.2 tt -82.28 128.34 34.1 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 168.413 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.709 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -169.609 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 . . . . . 0 CA--C 1.543 0.7 0 N-CA-C 114.965 1.469 . . . . 0.0 114.965 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.408 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 92.8 m-85 -127.98 154.35 45.69 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 126.739 2.016 . . . . 0.0 109.107 -176.58 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -112.06 161.5 16.41 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.402 1.081 . . . . 0.0 111.776 -174.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.414 ' CD1' ' HG ' ' A' ' 7' ' ' LEU . 2.2 tm? -144.26 133.51 23.05 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 126.328 1.851 . . . . 0.0 110.579 176.34 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mp -114.66 112.82 41.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 125.918 1.687 . . . . 0.0 110.02 172.513 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.424 HD11 ' CE2' ' A' ' 33' ' ' TYR . 42.7 mt -83.09 43.44 0.87 Allowed 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 127.518 2.327 . . . . 0.0 111.912 173.57 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 . . . . . 0 N--CA 1.469 0.5 0 O-C-N 119.612 -1.93 . . . . 0.0 112.305 -175.91 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.464 0.275 0 CA-C-O 120.762 0.315 . . . . 0.0 110.363 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -172.6 -170.13 36.02 Favored Glycine 0 CA--C 1.529 0.949 0 N-CA-C 115.526 0.97 . . . . 0.0 115.526 168.621 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -155.32 157.96 37.99 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.637 1.175 . . . . 0.0 112.959 -179.615 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.9 t -156.25 -175.9 5.68 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 126.117 1.767 . . . . 0.0 110.404 179.194 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.6 p -141.66 175.05 10.0 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 125.211 1.405 . . . . 0.0 110.874 173.729 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.0 t -157.85 151.35 23.61 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 124.031 0.933 . . . . 0.0 110.772 171.906 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -77.03 125.9 30.08 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 106.546 -1.65 . . . . 0.0 106.546 166.392 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.428 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -143.67 174.52 10.72 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.364 1.466 . . . . 0.0 111.556 178.489 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.1 t -77.1 -47.14 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 O-C-N 121.666 -0.646 . . . . 0.0 109.994 169.158 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.408 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 4.4 t70 179.0 -157.12 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 130.429 3.492 . . . . 0.0 106.281 179.269 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.23 -20.81 2.87 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 120.049 -1.657 . . . . 0.0 113.963 169.661 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.61 -7.41 10.38 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.578 1.151 . . . . 0.0 113.826 172.156 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.428 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 45.3 m -138.68 -37.0 0.55 Allowed 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.538 1.535 . . . . 0.0 112.17 176.178 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.72 -38.12 86.05 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.939 1.296 . . . . 0.0 111.215 177.445 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -74.34 2.91 8.25 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 179.603 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.415 ' HE3' HG23 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -130.57 19.07 5.21 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 125.169 1.388 . . . . 0.0 111.57 173.454 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.415 HG23 ' HE3' ' A' ' 28' ' ' LYS . 3.1 t -119.54 -52.08 3.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 125.234 1.414 . . . . 0.0 109.924 177.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -62.75 -26.31 68.63 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 178.11 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -56.27 -32.89 64.95 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.571 1.148 . . . . 0.0 112.583 175.744 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -79.53 -49.77 11.74 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.312 0.645 . . . . 0.0 110.597 179.154 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.424 ' CE2' HD11 ' A' ' 7' ' ' LEU . 86.2 t80 -59.1 -41.82 89.02 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.538 1.135 . . . . 0.0 112.23 178.729 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.1 -46.23 90.0 Favored 'General case' 0 N--CA 1.451 -0.397 0 O-C-N 121.177 -0.952 . . . . 0.0 111.582 179.174 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -69.48 -17.41 63.61 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 114.167 1.173 . . . . 0.0 114.167 178.089 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . 0.285 1.2 p30 -91.21 -16.38 27.74 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 120.206 1.366 . . . . 0.0 114.419 171.673 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 63.6 m-80 -87.62 -32.73 19.13 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.273 0.629 . . . . 0.0 109.824 167.671 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.02 6.88 22.22 Favored Glycine 0 CA--C 1.531 1.067 0 C-N-CA 127.792 2.615 . . . . 0.0 114.928 171.219 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.2 t -84.82 152.6 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 123.857 0.863 . . . . 0.0 111.693 173.708 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -162.51 52.35 0.2 Allowed 'General case' 0 CA--C 1.549 0.93 0 CA-C-O 123.067 1.413 . . . . 0.0 111.969 168.889 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.44 -154.69 1.3 Allowed Glycine 0 CA--C 1.545 1.959 0 C-N-CA 127.188 2.327 . . . . 0.0 117.714 177.855 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -62.49 0.59 0.45 Allowed 'General case' 0 N--CA 1.486 1.349 1 N-CA-C 121.839 4.015 . . . . 0.0 121.839 -168.265 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 82.2 m95 28.4 74.51 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 129.225 3.01 . . . . 0.0 116.27 -174.735 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.46 165.48 11.63 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 125.657 1.583 . . . . 0.0 112.003 176.291 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -151.52 164.32 37.07 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 126.236 1.814 . . . . 0.0 110.737 178.688 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -139.72 168.76 19.08 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.916 1.286 . . . . 0.0 111.742 -178.239 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.423 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.4 OUTLIER -129.33 -6.16 4.8 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.768 1.627 . . . . 0.0 114.276 176.823 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.91 -32.75 51.86 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 121.467 -0.771 . . . . 0.0 110.624 170.481 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.4 t -139.01 8.78 2.53 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 177.943 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.423 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 2.8 mmpt? 53.78 42.05 31.89 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-O 122.657 1.218 . . . . 0.0 113.269 168.623 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 46.4 m -121.17 113.91 20.67 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 125.883 1.673 . . . . 0.0 109.419 -169.815 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -66.27 156.8 33.27 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.044 0.938 . . . . 0.0 110.518 169.299 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.3 m -149.18 133.47 17.42 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 108.201 -1.036 . . . . 0.0 108.201 171.11 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.2 p -130.42 66.07 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 123.12 1.438 . . . . 0.0 109.917 -171.466 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 31.0 m . . . . . 0 N--CA 1.466 0.335 0 CA-C-N 114.359 -1.292 . . . . 0.0 113.446 -173.44 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.476 0.867 0 CA-C-O 120.809 0.338 . . . . 0.0 111.156 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 42.8 t -130.08 134.34 62.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 125.396 1.478 . . . . 0.0 110.935 -172.089 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -90.65 147.46 23.28 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 124.682 1.193 . . . . 0.0 109.056 169.149 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.5 HG13 ' HB3' ' A' ' 113' ' ' ALA . 0.2 OUTLIER -150.12 152.65 11.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.879 0.847 . . . . 0.0 111.89 170.749 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.494 ' HA2' ' HA ' ' A' ' 112' ' ' PHE . . . . . . . . 0 CA--C 1.525 0.672 0 N-CA-C 108.333 -1.907 . . . . 0.0 108.333 167.464 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.9 ptmm? . . . . . 0 N--CA 1.47 0.531 0 N-CA-C 115.171 1.545 . . . . 0.0 115.171 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 14.6 m -47.6 -62.0 1.66 Allowed 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 120.403 1.456 . . . . 0.0 114.753 -169.478 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -76.26 -42.85 44.34 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 117.681 -1.152 . . . . 0.0 110.221 -176.555 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.427 HD12 ' N ' ' A' ' 91' ' ' GLU 0.259 2.7 pp -60.02 -36.1 76.52 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 120.731 1.605 . . . . 0.0 112.618 179.56 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.427 ' N ' HD12 ' A' ' 90' ' ' LEU . 22.1 tt0 -61.01 -48.72 80.51 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.611 1.164 . . . . 0.0 112.429 173.898 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.9 ppt_? -65.47 -39.33 91.84 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 119.497 1.044 . . . . 0.0 112.446 172.124 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.3 -43.12 92.12 Favored 'General case' 0 C--O 1.221 -0.427 0 C-N-CA 125.127 1.371 . . . . 0.0 111.042 -174.845 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.506 ' CD2' HG21 ' A' ' 115' ' ' VAL . 10.5 m-85 -63.68 -64.66 0.84 Allowed 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 124.431 1.092 . . . . 0.0 111.497 173.229 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -61.75 -17.72 54.94 Favored Glycine 0 CA--C 1.545 1.954 0 N-CA-C 115.112 0.805 . . . . 0.0 115.112 -174.593 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -56.4 -50.93 70.18 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.848 1.659 . . . . 0.0 112.902 168.806 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -68.24 -38.74 82.16 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.403 0.681 . . . . 0.0 111.128 177.361 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -174.1 156.18 23.04 Favored Glycine 0 N--CA 1.472 1.093 0 CA-C-O 118.182 -1.344 . . . . 0.0 113.307 169.513 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -61.87 149.79 88.7 Favored 'Trans proline' 0 CA--C 1.536 0.595 0 CA-C-N 121.187 2.494 . . . . 0.0 113.215 -169.647 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -132.24 158.9 40.59 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 177.293 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 20.9 ptt-85 -120.65 -8.88 9.45 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.582 1.553 . . . . 0.0 114.607 -169.681 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.7 t -148.11 139.41 23.48 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.072 0.949 . . . . 0.0 110.935 169.329 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 12.6 t -143.73 124.64 9.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 125.759 1.624 . . . . 0.0 108.517 174.389 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 78.0 t90 -137.72 152.34 49.14 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 125.542 1.537 . . . . 0.0 111.412 179.559 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 4.5 m -145.37 150.5 15.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 124.42 1.088 . . . . 0.0 110.981 176.054 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.496 0 C-N-CA 123.019 0.528 . . . . 0.0 110.459 178.128 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.494 ' HA ' ' HA2' ' A' ' 79' ' ' GLY 0.379 0.1 OUTLIER . . . . . 0 CA--C 1.547 0.841 0 CA-C-O 122.243 1.02 . . . . 0.0 113.041 . . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.5 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -158.95 170.84 21.21 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 126.346 1.858 . . . . 0.0 113.547 -168.162 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -147.14 157.7 43.69 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 177.576 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.506 HG21 ' CD2' ' A' ' 94' ' ' PHE . 2.3 t -149.28 157.45 6.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 125.038 1.335 . . . . 0.0 112.604 -174.408 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -133.08 112.43 11.78 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.551 1.14 . . . . 0.0 108.355 165.725 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -74.02 168.03 20.34 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.959 1.303 . . . . 0.0 113.806 173.46 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -71.34 -43.66 66.56 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 121.229 -0.92 . . . . 0.0 112.244 176.78 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -132.84 153.88 81.21 Favored Pre-proline 0 CA--C 1.555 1.153 0 C-N-CA 125.567 1.547 . . . . 0.0 112.468 179.693 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -57.62 -31.83 92.85 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 123.771 2.981 . . . . 0.0 115.024 178.539 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.84 -38.53 79.86 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 120.153 1.342 . . . . 0.0 111.984 173.969 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -57.01 -49.14 76.71 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 119.268 0.94 . . . . 0.0 110.272 173.729 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.47 -43.74 98.1 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-O 118.727 -0.654 . . . . 0.0 112.678 174.6 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.51 -44.5 86.79 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 119.915 1.234 . . . . 0.0 112.691 -178.493 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -64.47 -40.41 95.64 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 118.631 0.65 . . . . 0.0 110.987 174.826 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.49 -53.62 39.88 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 122.023 -0.423 . . . . 0.0 111.695 177.49 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 38.2 t -52.69 -42.54 41.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 125.51 1.524 . . . . 0.0 111.8 176.126 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 34.7 ttp-105 -69.41 -38.58 77.99 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.428 0.691 . . . . 0.0 112.445 179.746 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -97.58 -0.3 46.06 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 -176.245 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.466 ' HB3' HG21 ' A' ' 142' ' ' VAL . 90.4 mt -115.19 -17.15 11.45 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.29 1.836 . . . . 0.0 112.804 173.067 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 41.8 p30 6.43 -54.74 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.973 1 C-N-CA 132.441 4.297 . . . . 0.0 120.145 169.805 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 167.47 12.45 0.02 OUTLIER Glycine 0 CA--C 1.539 1.583 0 C-N-CA 128.349 2.88 . . . . 0.0 116.393 -179.071 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -69.81 -49.1 55.97 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.847 1.659 . . . . 0.0 115.168 -169.503 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 165.09 146.8 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 130.34 3.456 . . . . 0.0 108.747 175.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 10.9 tp -165.82 147.02 6.95 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 127.001 2.12 . . . . 0.0 106.484 177.452 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 64.3 m 63.35 -40.91 0.2 Allowed 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 127.72 2.408 . . . . 0.0 112.098 -166.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 144.22 28.14 0.11 Allowed Glycine 0 CA--C 1.528 0.904 0 C-N-CA 126.772 2.13 . . . . 0.0 115.048 168.373 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 12.0 t -148.69 -152.31 0.43 Allowed 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.019 1.327 . . . . 0.0 107.6 -174.718 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -70.72 142.21 51.49 Favored 'General case' 0 N--CA 1.463 0.217 0 O-C-N 121.351 -0.843 . . . . 0.0 110.854 171.084 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 9.5 p -130.32 169.86 20.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 105.558 -2.015 . . . . 0.0 105.558 168.074 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -161.51 133.56 5.75 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 126.172 1.789 . . . . 0.0 107.725 168.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.466 HG21 ' HB3' ' A' ' 130' ' ' LEU . 64.5 t -139.18 134.59 41.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 CA-C-N 119.293 0.951 . . . . 0.0 110.206 -174.473 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -139.85 161.62 37.14 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.714 0.806 . . . . 0.0 111.179 -176.324 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.76 134.58 38.03 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 168.872 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.471 0.621 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 -169.833 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . 0.266 15.9 tt0 . . . . . 0 CA--C 1.545 0.772 0 N-CA-C 114.835 1.42 . . . . 0.0 114.835 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.431 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 89.8 m-85 -128.55 150.1 50.33 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 127.058 2.143 . . . . 0.0 108.885 -176.703 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -105.71 162.35 13.6 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.743 1.217 . . . . 0.0 111.491 -179.455 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.55 HD11 ' CD2' ' A' ' 7' ' ' LEU . 1.5 tm? -144.92 137.91 26.53 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 127.044 2.138 . . . . 0.0 110.315 175.96 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.3 mp -117.28 113.63 43.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 126.42 1.888 . . . . 0.0 109.7 173.434 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.55 ' CD2' HD11 ' A' ' 5' ' ' LEU . 84.2 mt -85.18 66.8 9.92 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 126.508 1.923 . . . . 0.0 110.271 171.65 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.426 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 55.8 t30 . . . . . 0 N--CA 1.477 0.894 0 N-CA-C 114.352 1.242 . . . . 0.0 114.352 -177.035 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.471 0.62 0 N-CA-C 117.154 2.279 . . . . 0.0 117.154 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.86 -160.63 15.8 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 117.364 1.705 . . . . 0.0 117.364 169.585 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -147.29 165.54 29.81 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.344 1.458 . . . . 0.0 111.647 -175.628 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.0 t -160.19 -177.53 6.34 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.883 1.673 . . . . 0.0 110.238 169.15 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 74.8 p -141.47 170.09 16.37 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 126.022 1.729 . . . . 0.0 109.711 172.112 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.0 t -155.92 155.79 33.45 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 121.204 -0.935 . . . . 0.0 110.876 170.734 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -84.09 119.51 25.06 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 168.252 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.36 173.86 11.11 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.698 1.599 . . . . 0.0 112.077 -176.704 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 83.9 t -77.87 -46.63 26.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 O-C-N 121.631 -0.668 . . . . 0.0 110.5 169.275 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.431 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 5.3 t70 177.25 -156.88 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 131.064 3.746 . . . . 0.0 106.07 179.429 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.67 -20.37 2.03 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 120.014 -1.679 . . . . 0.0 114.163 169.841 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.17 -7.24 11.72 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.452 1.101 . . . . 0.0 113.735 172.002 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 54.3 m -140.34 -37.69 0.46 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.979 1.712 . . . . 0.0 112.101 177.035 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.01 -38.85 86.7 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.164 1.386 . . . . 0.0 111.046 177.622 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -74.48 3.31 7.78 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.437 ' HE3' HG23 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -131.27 19.13 4.87 Favored 'General case' 0 C--O 1.226 -0.176 0 C-N-CA 125.111 1.364 . . . . 0.0 111.492 172.924 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.437 HG23 ' HE3' ' A' ' 28' ' ' LYS . 3.5 t -119.21 -51.73 3.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 124.928 1.291 . . . . 0.0 110.117 176.79 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -60.38 -27.46 67.43 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.816 0.672 . . . . 0.0 112.816 177.084 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -56.87 -30.31 63.73 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.886 1.274 . . . . 0.0 112.78 174.119 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -77.78 -52.4 8.98 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 118.605 0.639 . . . . 0.0 110.71 176.808 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -61.8 -41.8 98.21 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.362 1.065 . . . . 0.0 112.383 -178.09 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.38 -50.58 73.14 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 123.353 0.661 . . . . 0.0 111.455 178.116 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 57.4 m-80 -71.82 -15.83 62.15 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 179.881 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -81.78 -31.34 31.9 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 118.99 0.814 . . . . 0.0 112.89 172.112 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 56.8 m-80 -76.97 -35.91 56.85 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 168.08 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 118.56 -3.73 15.3 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 129.297 3.332 . . . . 0.0 114.28 172.4 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 71.4 t -72.28 148.47 9.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 CA-C-N 118.603 1.202 . . . . 0.0 111.878 176.312 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -164.64 52.24 0.12 Allowed 'General case' 0 CA--C 1.547 0.856 0 CA-C-O 123.323 1.535 . . . . 0.0 109.866 167.953 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.38 -157.42 0.22 Allowed Glycine 0 CA--C 1.539 1.555 0 C-N-CA 127.067 2.27 . . . . 0.0 116.351 172.721 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -71.6 95.61 1.45 Allowed 'General case' 0 CA--C 1.546 0.789 0 O-C-N 121.344 -1.091 . . . . 0.0 112.178 177.843 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 84.8 m95 -60.6 118.88 7.1 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 120.717 -1.24 . . . . 0.0 110.07 -179.313 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -130.72 161.05 32.54 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 126.851 2.06 . . . . 0.0 110.243 -174.397 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -153.09 164.87 37.22 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.69 1.196 . . . . 0.0 111.101 -179.688 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -140.6 164.22 30.75 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.015 1.726 . . . . 0.0 110.463 -176.826 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.405 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 21.4 t70 -132.57 -2.02 3.43 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.095 1.358 . . . . 0.0 114.59 -179.311 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.83 -28.88 32.84 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 121.453 -0.779 . . . . 0.0 110.28 169.572 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.6 p -135.11 -12.88 2.15 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 125.667 1.587 . . . . 0.0 113.175 -171.951 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.405 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 1.0 OUTLIER 62.54 46.58 5.49 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.622 1.569 . . . . 0.0 112.407 178.018 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 95.4 m -118.25 113.64 21.8 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 125.041 1.337 . . . . 0.0 111.088 -174.059 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -67.64 159.31 30.22 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.994 0.918 . . . . 0.0 111.171 169.033 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 25.7 m -146.23 159.6 43.11 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 125.321 1.449 . . . . 0.0 107.814 170.645 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.501 ' CG1' HD23 ' A' ' 7' ' ' LEU 0.259 12.2 p -152.73 68.84 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-O 122.77 1.272 . . . . 0.0 110.943 -179.519 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.426 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 94.8 m . . . . . 0 N--CA 1.472 0.64 0 O-C-N 121.496 -0.752 . . . . 0.0 112.266 -172.146 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.465 0.304 0 CA-C-O 122.104 0.954 . . . . 0.0 112.258 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -134.94 154.57 36.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 C-N-CA 126.807 2.043 . . . . 0.0 109.089 -177.787 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -112.45 148.82 33.57 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 127.926 2.49 . . . . 0.0 109.829 -176.723 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.615 HG13 ' HB3' ' A' ' 113' ' ' ALA . 2.9 p -144.98 140.23 22.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-O 121.609 0.719 . . . . 0.0 111.321 169.152 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.231 0 N-CA-C 116.29 1.276 . . . . 0.0 116.29 175.458 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.277 20.3 pttp . . . . . 0 N--CA 1.48 1.068 0 N-CA-C 114.44 1.274 . . . . 0.0 114.44 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 54.5 m -40.2 -58.43 1.48 Allowed 'General case' 0 N--CA 1.483 1.225 0 N-CA-C 115.438 1.644 . . . . 0.0 115.438 -169.192 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.91 -56.54 12.67 Favored 'General case' 0 C--O 1.235 0.318 0 O-C-N 122.068 -0.395 . . . . 0.0 110.628 -178.242 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.404 HD12 ' N ' ' A' ' 91' ' ' GLU . 3.4 pp -65.42 -28.68 69.42 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -174.218 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.404 ' N ' HD12 ' A' ' 90' ' ' LEU . 38.2 tt0 -64.59 -47.94 76.8 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 126.346 1.858 . . . . 0.0 111.116 175.896 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.78 -31.95 71.33 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 119.398 0.999 . . . . 0.0 112.525 170.695 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.59 -45.45 94.06 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 118.827 0.74 . . . . 0.0 112.158 176.059 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.476 ' CZ ' HG11 ' A' ' 115' ' ' VAL . 11.2 m-85 -64.49 -64.81 0.78 Allowed 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 125.961 1.704 . . . . 0.0 110.984 173.617 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -54.08 -22.31 20.52 Favored Glycine 0 CA--C 1.546 2.006 0 N-CA-C 116.178 1.231 . . . . 0.0 116.178 -179.447 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -56.58 -50.72 71.1 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.583 1.553 . . . . 0.0 113.257 169.021 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.551 ' CE2' HD22 ' A' ' 130' ' ' LEU . 88.9 m-85 -63.91 -38.14 90.0 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 118.97 0.805 . . . . 0.0 109.997 175.511 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 176.05 165.45 31.89 Favored Glycine 0 N--CA 1.471 1.012 0 CA-C-O 118.863 -0.965 . . . . 0.0 113.982 168.871 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -61.04 126.06 18.61 Favored 'Trans proline' 0 N--CA 1.459 -0.516 0 CA-C-N 120.565 2.183 . . . . 0.0 114.483 -169.006 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 23.5 mt -63.17 161.12 14.1 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 126.532 1.933 . . . . 0.0 113.067 171.113 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.7 ttm180 -110.8 -35.96 5.83 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.541 1.536 . . . . 0.0 110.743 169.043 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.6 m -168.98 161.06 10.46 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 126.148 1.779 . . . . 0.0 111.216 171.191 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 60.4 t -142.06 141.89 28.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 125.35 1.46 . . . . 0.0 109.305 177.303 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 72.0 t90 -140.66 142.68 34.92 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.716 1.607 . . . . 0.0 110.372 179.112 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.514 HG12 ' HB1' ' A' ' 113' ' ' ALA . 0.9 OUTLIER -142.29 146.77 22.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 169.28 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.721 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 -178.63 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.551 0.993 0 N-CA-C 106.89 -1.522 . . . . 0.0 106.89 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.615 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -163.21 171.5 16.16 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 124.049 0.94 . . . . 0.0 112.887 -169.576 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -135.95 157.46 46.79 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.698 1.199 . . . . 0.0 112.647 176.942 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.476 HG11 ' CZ ' ' A' ' 94' ' ' PHE . 1.1 p -156.61 154.72 5.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 124.389 1.075 . . . . 0.0 111.763 -170.515 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -143.79 150.36 38.44 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 125.425 1.49 . . . . 0.0 110.082 168.11 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -121.0 160.72 22.95 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.977 1.311 . . . . 0.0 111.854 -172.807 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -81.21 -21.69 39.38 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 120.921 -1.112 . . . . 0.0 113.33 -175.83 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -125.91 125.05 24.82 Favored Pre-proline 0 CA--C 1.545 0.784 0 C-N-CA 126.285 1.834 . . . . 0.0 107.915 170.486 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -49.26 -28.88 15.83 Favored 'Trans proline' 0 CA--C 1.535 0.561 0 C-N-CA 123.705 2.936 . . . . 0.0 114.413 171.771 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.12 -26.08 62.86 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.169 0.987 . . . . 0.0 113.168 174.165 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -67.76 -45.8 73.88 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 119.796 1.18 . . . . 0.0 110.273 169.72 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.78 -34.88 78.18 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 118.462 -0.78 . . . . 0.0 112.002 172.941 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.54 -45.27 76.16 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 120.06 1.3 . . . . 0.0 112.914 174.307 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -54.21 -46.09 72.4 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.191 0.596 . . . . 0.0 110.445 170.532 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.411 ' HB1' HD23 ' A' ' 130' ' ' LEU . . . -64.87 -51.01 64.32 Favored 'General case' 0 CA--C 1.549 0.941 0 O-C-N 121.577 -0.702 . . . . 0.0 111.672 176.699 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 24.2 t -56.95 -18.15 6.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 O-C-N 119.748 -1.845 . . . . 0.0 114.222 178.186 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.72 -2.91 11.79 Favored 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 116.026 1.862 . . . . 0.0 116.026 173.009 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -132.56 -1.53 3.47 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.163 1.385 . . . . 0.0 114.543 -176.142 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.551 HD22 ' CE2' ' A' ' 97' ' ' TYR . 8.6 tp -126.31 -6.31 6.52 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 128.092 2.557 . . . . 0.0 111.409 -177.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -86.93 133.84 33.56 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 127.456 2.302 . . . . 0.0 112.937 179.024 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 53.44 37.66 56.22 Favored Glycine 0 CA--C 1.537 1.443 0 O-C-N 120.463 -1.398 . . . . 0.0 113.856 179.295 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 27.0 mmt-85 -111.66 -17.18 13.07 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 115.047 1.499 . . . . 0.0 115.047 -169.634 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 97.0 m 63.19 131.4 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 127.498 2.319 . . . . 0.0 110.713 -168.27 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 18.8 tp -150.23 -78.98 0.13 Allowed 'General case' 0 N--CA 1.472 0.625 0 O-C-N 121.316 -0.865 . . . . 0.0 111.627 -169.587 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 12.3 m -69.08 -21.41 64.07 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 123.756 0.823 . . . . 0.0 111.33 178.781 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 158.56 -21.54 0.33 Allowed Glycine 0 CA--C 1.536 1.402 0 C-N-CA 125.396 1.474 . . . . 0.0 116.237 169.864 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 11.9 t -106.33 -90.02 0.43 Allowed 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 118.639 1.219 . . . . 0.0 113.055 -169.757 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -141.94 -29.94 0.59 Allowed 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 116.931 2.197 . . . . 0.0 116.931 -170.361 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . 0.291 3.3 m 45.72 74.21 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 129.798 3.239 . . . . 0.0 115.996 -171.395 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -65.36 134.84 54.4 Favored 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 105.748 -1.945 . . . . 0.0 105.748 166.275 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 81.2 t -141.08 129.04 22.74 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 CA-C-N 119.754 1.161 . . . . 0.0 108.631 -176.289 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -144.39 171.7 13.97 Favored 'General case' 0 N--CA 1.483 1.193 0 CA-C-N 119.011 0.823 . . . . 0.0 111.38 -172.067 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 8.9 tt -73.22 135.86 44.6 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 119.828 -1.795 . . . . 0.0 108.656 168.253 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 24.5 t . . . . . 0 N--CA 1.472 0.653 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -172.954 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 . . . . . 0 CA--C 1.546 0.813 0 CA-C-O 120.746 0.308 . . . . 0.0 111.76 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -127.06 153.56 45.81 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 127.425 2.29 . . . . 0.0 108.951 -179.792 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -103.68 161.26 14.06 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.492 1.117 . . . . 0.0 111.177 178.343 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.482 HD11 ' CD2' ' A' ' 7' ' ' LEU . 0.8 OUTLIER -144.96 135.8 24.66 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 126.641 1.976 . . . . 0.0 110.118 175.052 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mp -114.49 109.77 29.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 126.309 1.843 . . . . 0.0 109.505 172.325 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.482 ' CD2' HD11 ' A' ' 5' ' ' LEU . 88.0 mt -78.77 79.22 5.19 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 124.473 1.109 . . . . 0.0 108.162 168.91 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 22.3 m-20 . . . . . 0 CA--C 1.56 1.353 0 C-N-CA 125.469 1.507 . . . . 0.0 111.952 168.607 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.965 0 N-CA-C 121.527 3.899 . . . . 0.0 121.527 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.83 -161.98 18.68 Favored Glycine 0 CA--C 1.531 1.078 0 N-CA-C 117.562 1.785 . . . . 0.0 117.562 169.763 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -156.46 157.02 34.77 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.632 1.573 . . . . 0.0 112.843 -179.626 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.9 t -159.98 -172.03 3.47 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 126.168 1.787 . . . . 0.0 109.521 178.047 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 64.3 p -138.55 169.42 17.81 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 126.086 1.755 . . . . 0.0 110.733 176.715 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.643 HG21 ' CG1' ' A' ' 29' ' ' VAL . 3.0 t -153.46 151.87 30.36 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.404 1.082 . . . . 0.0 110.593 177.483 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.9 tp10 -84.02 115.98 22.61 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 169.241 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.76 177.01 8.19 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.198 1.399 . . . . 0.0 113.653 179.823 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 97.7 t -79.33 -49.17 20.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 O-C-N 120.842 -1.161 . . . . 0.0 110.61 169.323 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 t70 178.49 -157.7 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 131.52 3.928 . . . . 0.0 105.821 179.729 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.98 -18.87 1.53 Allowed 'General case' 0 CA--C 1.546 0.824 0 CA-C-N 121.376 1.898 . . . . 0.0 114.667 170.859 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.27 -10.41 42.08 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.451 1.1 . . . . 0.0 113.488 172.999 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 46.4 m -140.06 -32.41 0.61 Allowed 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.269 1.827 . . . . 0.0 112.542 178.682 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.423 ' HA ' HG12 ' A' ' 29' ' ' VAL . . . -68.4 -36.13 78.67 Favored 'General case' 0 CA--C 1.546 0.799 0 O-C-N 120.838 -1.164 . . . . 0.0 110.632 174.868 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -76.41 5.17 7.59 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 114.656 1.354 . . . . 0.0 114.656 178.449 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.19 18.33 3.42 Favored 'General case' 0 N--CA 1.466 0.351 0 O-C-N 120.307 -1.495 . . . . 0.0 111.738 173.561 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.643 ' CG1' HG21 ' A' ' 18' ' ' THR . 3.1 p -120.47 -41.75 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 C-N-CA 124.377 1.071 . . . . 0.0 112.195 177.287 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.441 ' CZ ' HG22 ' A' ' 18' ' ' THR . 25.8 m-85 -68.78 -26.02 65.0 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 123.99 0.916 . . . . 0.0 113.11 173.296 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -54.97 -29.95 58.04 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.261 1.424 . . . . 0.0 112.959 175.123 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -80.25 -53.18 6.89 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 123.993 0.917 . . . . 0.0 110.283 177.033 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -57.0 -43.04 81.36 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.471 1.109 . . . . 0.0 112.327 178.878 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.79 -53.3 58.37 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 124.075 0.95 . . . . 0.0 111.541 175.751 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -69.86 -16.1 63.2 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.128 0.971 . . . . 0.0 113.504 177.261 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -78.19 -31.44 49.51 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 120.191 1.36 . . . . 0.0 112.299 170.831 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -77.95 -37.32 47.78 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 168.0 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 123.23 -11.35 8.62 Favored Glycine 0 CA--C 1.539 1.551 1 C-N-CA 130.727 4.013 . . . . 0.0 113.896 172.549 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.5 t -62.11 148.07 10.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 CA-C-N 118.834 1.317 . . . . 0.0 111.986 -177.389 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -163.96 61.04 0.16 Allowed 'General case' 0 CA--C 1.551 0.999 0 CA-C-O 122.517 1.151 . . . . 0.0 113.407 169.458 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -88.29 -150.98 21.9 Favored Glycine 0 CA--C 1.543 1.802 0 C-N-CA 126.342 1.925 . . . . 0.0 116.295 -176.742 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -71.94 94.7 1.48 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.848 1.659 . . . . 0.0 111.809 175.804 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -64.22 128.98 38.13 Favored 'General case' 0 N--CA 1.465 0.308 0 O-C-N 120.617 -1.302 . . . . 0.0 110.342 -179.384 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.69 162.63 32.21 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 126.529 1.932 . . . . 0.0 110.373 -170.931 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -154.39 167.86 28.57 Favored 'General case' 0 CA--C 1.543 0.712 0 C-N-CA 124.201 1.0 . . . . 0.0 111.834 -178.841 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -144.24 161.48 38.8 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.39 1.876 . . . . 0.0 110.523 -177.767 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.406 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.3 OUTLIER -129.68 -1.68 4.83 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 179.446 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.52 -28.43 33.98 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 121.521 -0.737 . . . . 0.0 110.664 170.273 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.6 p -135.23 -13.04 2.11 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.719 1.608 . . . . 0.0 113.203 -172.369 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.406 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 1.1 mmpt? 63.65 47.31 3.75 Favored 'General case' 0 C--N 1.347 0.489 0 C-N-CA 125.848 1.659 . . . . 0.0 112.425 178.544 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 89.6 m -117.09 110.86 18.73 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.81 1.244 . . . . 0.0 111.615 -173.931 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -64.62 160.62 19.32 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.043 0.937 . . . . 0.0 110.959 168.623 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 32.4 m -147.19 161.54 40.7 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 125.216 1.406 . . . . 0.0 107.963 170.498 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.426 ' CG1' HD23 ' A' ' 7' ' ' LEU . 12.6 p -151.06 93.58 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 C-N-CA 124.752 1.221 . . . . 0.0 110.629 172.309 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 50.0 m . . . . . 0 N--CA 1.471 0.597 0 O-C-N 121.625 -0.672 . . . . 0.0 110.884 -178.45 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.4 ttmm . . . . . 0 CA--C 1.537 0.443 0 CA-C-O 121.556 0.693 . . . . 0.0 109.482 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.463 HG22 HG22 ' A' ' 115' ' ' VAL . 2.0 m -118.23 150.95 20.32 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 C-N-CA 127.848 2.459 . . . . 0.0 108.204 176.212 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -98.15 151.75 20.07 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 124.993 1.317 . . . . 0.0 110.131 178.002 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -155.51 151.11 10.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 122.065 0.936 . . . . 0.0 112.049 175.609 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.892 0 N-CA-C 110.129 -1.189 . . . . 0.0 110.129 168.487 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.467 0.411 0 N-CA-C 115.508 1.669 . . . . 0.0 115.508 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 26.7 m -52.36 -56.46 14.76 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 114.992 1.479 . . . . 0.0 114.992 -169.182 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -75.86 -43.69 44.42 Favored 'General case' 0 C--N 1.345 0.375 0 CA-C-N 119.579 1.081 . . . . 0.0 110.541 -176.966 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.2 pp -60.78 -35.53 76.68 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 120.158 1.345 . . . . 0.0 112.334 178.769 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -60.28 -50.04 75.23 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 121.139 -0.976 . . . . 0.0 112.163 173.212 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.38 -34.69 78.91 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 119.555 1.07 . . . . 0.0 112.279 173.513 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.86 -43.32 83.89 Favored 'General case' 0 C--O 1.223 -0.311 0 C-N-CA 124.159 0.984 . . . . 0.0 111.427 -177.443 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.464 ' CD2' HG11 ' A' ' 115' ' ' VAL . 15.8 m-85 -67.75 -62.62 1.33 Allowed 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 124.562 1.145 . . . . 0.0 111.422 173.557 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.03 -17.91 45.98 Favored Glycine 0 CA--C 1.545 1.964 0 N-CA-C 115.817 1.087 . . . . 0.0 115.817 -178.543 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -54.82 -50.06 69.5 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 119.143 1.471 . . . . 0.0 112.182 168.446 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -65.59 -43.17 90.53 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.601 0.76 . . . . 0.0 110.281 175.027 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 179.01 159.13 22.71 Favored Glycine 0 N--CA 1.476 1.303 0 CA-C-O 118.483 -1.176 . . . . 0.0 114.787 169.205 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -51.31 128.04 24.18 Favored 'Trans proline' 0 C--O 1.235 0.363 0 C-N-CA 122.895 2.396 . . . . 0.0 116.06 -169.288 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.558 HD13 ' CG2' ' A' ' 103' ' ' VAL . 15.1 mt -68.43 152.81 44.88 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 113.676 -1.602 . . . . 0.0 111.492 169.808 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -98.04 -29.8 13.06 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.827 1.651 . . . . 0.0 111.525 169.909 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.6 m -169.97 163.33 9.43 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 126.075 1.75 . . . . 0.0 111.11 169.245 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.558 ' CG2' HD13 ' A' ' 100' ' ' LEU . 62.4 t -139.9 140.6 35.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 125.794 1.637 . . . . 0.0 109.442 179.204 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 86.3 t90 -145.62 140.25 27.21 Favored 'General case' 0 N--CA 1.461 0.116 0 C-N-CA 125.335 1.454 . . . . 0.0 111.31 179.831 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -144.32 150.49 16.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 168.203 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.663 0 O-C-N 121.907 -0.495 . . . . 0.0 111.528 175.415 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.553 1.071 0 N-CA-C 106.811 -1.551 . . . . 0.0 106.811 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -158.18 175.12 14.18 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 115.404 1.631 . . . . 0.0 115.404 -166.02 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -145.4 149.04 34.02 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.534 0.734 . . . . 0.0 111.403 170.794 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.464 HG11 ' CD2' ' A' ' 94' ' ' PHE . 28.4 m -138.68 172.25 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 O-C-N 120.802 -1.186 . . . . 0.0 112.235 172.294 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -148.14 153.0 38.25 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 124.162 0.985 . . . . 0.0 110.143 169.63 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -122.52 153.5 39.11 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.711 1.204 . . . . 0.0 112.244 -169.59 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -72.76 -17.25 61.61 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 178.631 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -146.14 126.77 7.17 Favored Pre-proline 0 CA--C 1.555 1.163 0 C-N-CA 124.477 1.111 . . . . 0.0 112.504 -173.947 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -53.41 -36.02 77.71 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 124.5 3.466 . . . . 0.0 115.41 174.864 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 23.3 ttp-105 -57.13 -48.15 79.36 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 119.235 0.925 . . . . 0.0 110.432 174.721 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -77.09 -34.84 56.84 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 119.099 -0.477 . . . . 0.0 111.275 -173.902 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.18 -45.35 93.41 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.57 0.748 . . . . 0.0 111.648 169.833 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.44 -46.09 74.13 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.708 0.803 . . . . 0.0 111.807 179.834 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -68.44 -33.2 73.78 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.654 0.661 . . . . 0.0 112.261 178.511 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.87 -57.14 13.93 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.303 0.641 . . . . 0.0 110.029 169.914 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 41.1 t -50.72 -42.83 23.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 124.396 1.078 . . . . 0.0 112.444 174.329 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 53.3 ttp85 -61.75 -31.98 72.19 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 126.115 1.766 . . . . 0.0 113.314 179.264 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -109.78 -10.56 14.78 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 124.694 1.198 . . . . 0.0 114.133 -176.215 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 53.0 mt -100.57 -34.08 10.05 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.447 1.499 . . . . 0.0 114.16 -176.863 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -67.79 142.73 56.11 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 -172.486 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 69.9 -24.73 0.41 Allowed Glycine 0 CA--C 1.538 1.497 0 N-CA-C 119.848 2.699 . . . . 0.0 119.848 169.099 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -71.88 -81.08 0.06 Allowed 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.53 1.532 . . . . 0.0 114.439 -169.323 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.8 m -179.72 141.99 0.16 Allowed 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 130.11 3.364 . . . . 0.0 107.591 -174.808 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -159.3 136.21 9.51 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 177.239 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 17.5 t 68.44 -44.59 0.51 Allowed 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 127.184 2.194 . . . . 0.0 110.731 -167.086 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 162.53 12.13 0.03 OUTLIER Glycine 0 CA--C 1.532 1.095 0 N-CA-C 117.498 1.759 . . . . 0.0 117.498 168.658 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 6.4 t -157.33 -168.37 2.58 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.377 1.588 . . . . 0.0 108.738 -176.687 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 3.9 ptt180 -30.79 118.35 0.18 Allowed 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 128.548 2.739 . . . . 0.0 113.957 175.615 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 9.1 p -129.29 148.36 33.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 C-N-CA 125.824 1.65 . . . . 0.0 110.138 171.951 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -149.26 140.31 22.97 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 126.373 1.869 . . . . 0.0 108.985 172.515 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 58.9 t -146.32 125.65 5.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -170.026 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -135.32 -179.16 5.46 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 119.307 0.958 . . . . 0.0 110.927 -173.695 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -97.84 137.04 37.3 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 120.874 -1.141 . . . . 0.0 108.288 169.825 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 84.7 p . . . . . 0 N--CA 1.471 0.604 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 -169.462 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 . . . . . 0 CA--C 1.548 0.882 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -127.21 154.98 44.15 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 127.503 2.321 . . . . 0.0 109.27 -179.015 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -105.85 162.75 13.28 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 124.857 1.263 . . . . 0.0 111.679 -179.753 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.531 HD22 ' N ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -149.21 131.59 15.64 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 126.511 1.925 . . . . 0.0 110.966 176.159 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.531 ' N ' HD22 ' A' ' 5' ' ' LEU . 1.5 mp -110.18 120.47 61.23 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.247 0 C-N-CA 126.257 1.823 . . . . 0.0 111.217 175.375 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.436 ' CD2' ' HA ' ' A' ' 34' ' ' ALA . 3.0 mp -97.67 60.92 1.58 Allowed 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 126.947 2.099 . . . . 0.0 111.588 -178.648 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 . . . . . 0 CA--C 1.551 1.018 0 O-C-N 121.084 -1.01 . . . . 0.0 113.153 174.873 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.464 0.246 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -168.76 -167.96 30.14 Favored Glycine 0 CA--C 1.532 1.134 0 N-CA-C 116.274 1.269 . . . . 0.0 116.274 169.626 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -159.54 153.76 23.66 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.966 1.706 . . . . 0.0 112.157 174.36 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.3 t -153.6 -172.18 4.14 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.138 1.375 . . . . 0.0 109.603 175.486 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.1 p -141.55 172.79 12.2 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.588 1.555 . . . . 0.0 110.501 176.154 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.64 HG21 ' CG1' ' A' ' 29' ' ' VAL . 4.5 t -158.03 148.67 20.68 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 121.222 -0.924 . . . . 0.0 111.106 178.658 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.2 tp10 -77.02 120.57 22.31 Favored 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 107.3 -1.37 . . . . 0.0 107.3 167.548 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.39 175.97 9.11 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.26 1.424 . . . . 0.0 113.087 175.671 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.7 t -78.94 -47.8 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 O-C-N 120.939 -1.101 . . . . 0.0 110.227 169.035 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 t70 178.53 -156.94 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 131.251 3.821 . . . . 0.0 105.86 178.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.77 -19.69 1.78 Allowed 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 121.158 1.799 . . . . 0.0 114.581 170.693 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.83 -9.84 32.48 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.42 1.088 . . . . 0.0 113.745 172.753 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 44.6 m -140.27 -32.41 0.6 Allowed 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.917 1.687 . . . . 0.0 112.582 178.127 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.435 ' HA ' HG12 ' A' ' 29' ' ' VAL . . . -67.51 -37.29 82.57 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 120.852 -1.155 . . . . 0.0 110.402 174.707 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -76.23 5.03 7.53 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 178.254 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.13 18.65 3.43 Favored 'General case' 0 N--CA 1.468 0.425 0 O-C-N 120.291 -1.506 . . . . 0.0 111.874 173.336 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.64 ' CG1' HG21 ' A' ' 18' ' ' THR . 3.1 p -121.27 -41.69 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 C-N-CA 124.423 1.089 . . . . 0.0 112.27 176.662 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.483 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.8 m-85 -68.24 -27.05 66.02 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 124.662 1.185 . . . . 0.0 112.991 173.281 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -54.7 -32.7 59.88 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.925 1.29 . . . . 0.0 112.985 175.764 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -81.03 -48.8 11.72 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.686 0.795 . . . . 0.0 110.829 179.651 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -63.4 -40.46 97.28 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.431 1.092 . . . . 0.0 111.982 179.408 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.436 ' HA ' ' CD2' ' A' ' 7' ' ' LEU . . . -63.3 -45.17 92.62 Favored 'General case' 0 N--CA 1.452 -0.353 0 O-C-N 121.237 -0.914 . . . . 0.0 112.32 178.16 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -67.07 -18.98 65.58 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.777 1.029 . . . . 0.0 113.777 173.312 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -80.42 -31.01 37.7 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.615 1.098 . . . . 0.0 112.943 173.202 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -75.44 -36.31 60.75 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 167.938 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 110.97 0.71 28.6 Favored Glycine 0 N--CA 1.436 -1.34 0 C-N-CA 128.72 3.057 . . . . 0.0 113.916 177.08 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.7 t -77.29 144.03 12.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-N 118.627 1.214 . . . . 0.0 110.605 177.307 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -160.1 50.8 0.31 Allowed 'General case' 0 CA--C 1.553 1.067 0 CA-C-O 122.545 1.164 . . . . 0.0 113.169 170.3 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.22 -145.52 4.64 Favored Glycine 0 CA--C 1.541 1.666 0 C-N-CA 126.493 1.997 . . . . 0.0 116.482 177.767 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -64.66 94.08 0.12 Allowed 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.926 1.69 . . . . 0.0 112.345 -177.507 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 79.4 m95 -64.81 108.25 1.69 Allowed 'General case' 0 N--CA 1.466 0.326 0 O-C-N 120.166 -1.584 . . . . 0.0 109.907 178.052 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -123.53 163.42 20.98 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 126.675 1.99 . . . . 0.0 110.716 -172.41 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -154.21 166.55 32.76 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.207 1.003 . . . . 0.0 112.069 -178.939 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -144.0 162.51 36.02 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.445 1.898 . . . . 0.0 110.592 -177.44 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -130.18 -2.36 4.51 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 179.319 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.54 -28.71 37.23 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 121.621 -0.674 . . . . 0.0 110.512 170.063 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.7 p -135.4 -12.76 2.08 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 125.678 1.591 . . . . 0.0 113.212 -172.173 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? 63.82 46.72 3.84 Favored 'General case' 0 C--N 1.347 0.469 0 C-N-CA 125.821 1.648 . . . . 0.0 112.518 178.03 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 92.7 m -117.55 111.7 19.58 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.863 1.265 . . . . 0.0 111.863 -172.77 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -65.52 162.04 18.9 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.198 0.999 . . . . 0.0 110.669 168.463 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 22.1 m -147.75 159.68 43.54 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.298 1.439 . . . . 0.0 108.118 169.84 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.273 9.5 p -149.13 56.55 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 125.325 1.45 . . . . 0.0 111.815 -178.23 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.4 m . . . . . 0 N--CA 1.475 0.807 0 C-N-CA 124.835 1.254 . . . . 0.0 112.62 -177.653 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 44.5 tptt . . . . . 0 N--CA 1.471 0.578 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -134.72 139.36 47.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 CA-C-O 123.017 1.389 . . . . 0.0 110.96 -172.682 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -83.87 152.18 24.7 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 127.732 2.413 . . . . 0.0 110.283 176.674 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.498 HG13 ' HB3' ' A' ' 113' ' ' ALA . 0.8 OUTLIER -152.9 149.24 13.58 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.181 0 N-CA-C 115.0 1.481 . . . . 0.0 115.0 176.624 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.337 0 C-N-CA 125.871 1.7 . . . . 0.0 110.537 168.049 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.342 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.367 0 N-CA-C 119.399 3.111 . . . . 0.0 119.399 . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 4.4 m -58.78 -52.28 66.39 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.205 1.402 . . . . 0.0 111.521 172.723 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.06 -55.57 33.29 Favored 'General case' 0 C--N 1.34 0.185 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 178.378 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.7 mt -48.45 -59.81 3.18 Favored 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 124.706 1.202 . . . . 0.0 110.492 -178.466 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -59.61 -42.52 92.8 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 123.678 0.791 . . . . 0.0 112.099 -171.114 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.69 -35.41 65.17 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 118.56 -0.733 . . . . 0.0 112.712 174.058 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -67.54 -44.73 77.63 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 119.483 1.038 . . . . 0.0 111.629 -176.886 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.633 ' CE2' HG11 ' A' ' 115' ' ' VAL . 17.5 m-85 -69.12 -61.68 1.69 Allowed 'General case' 0 CA--C 1.509 -0.622 0 C-N-CA 125.886 1.674 . . . . 0.0 111.895 173.821 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -64.52 -13.1 54.42 Favored Glycine 0 CA--C 1.547 2.072 0 CA-C-O 118.964 -0.909 . . . . 0.0 114.445 -176.161 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -56.82 -49.88 74.06 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 119.175 1.487 . . . . 0.0 110.977 167.046 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -63.74 -46.91 83.2 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.706 0.802 . . . . 0.0 109.627 172.546 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 176.21 154.57 11.8 Favored Glycine 0 CA--C 1.534 1.261 0 N-CA-C 115.427 0.931 . . . . 0.0 115.427 169.201 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -48.43 124.53 10.83 Favored 'Trans proline' 0 CA--C 1.535 0.537 0 C-N-CA 124.371 3.381 . . . . 0.0 115.903 -169.646 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 33.6 mt -67.1 152.75 45.2 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.706 1.603 . . . . 0.0 112.474 169.932 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -79.41 -39.18 33.06 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 166.632 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.2 p -173.8 168.54 4.29 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 126.136 1.774 . . . . 0.0 113.078 168.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 2.7 p -128.04 145.18 35.63 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 126.019 1.728 . . . . 0.0 110.17 171.22 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 87.9 t90 -133.97 143.26 48.06 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 126.66 1.984 . . . . 0.0 110.232 -179.497 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 12.5 m -143.47 152.72 16.43 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 124.23 1.012 . . . . 0.0 109.491 174.96 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.882 0 CA-C-O 122.521 1.153 . . . . 0.0 114.049 -174.323 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.554 1.113 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.498 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -171.14 175.94 4.13 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 126.186 1.794 . . . . 0.0 111.902 -169.121 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -144.5 150.02 36.89 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.175 -0.953 . . . . 0.0 113.033 173.414 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.633 HG11 ' CE2' ' A' ' 94' ' ' PHE . 29.7 m -144.71 168.42 9.74 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 N-CA-C 115.156 1.539 . . . . 0.0 115.156 -178.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -146.96 130.61 16.9 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.233 1.413 . . . . 0.0 110.975 177.184 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.401 ' CZ ' ' HB3' ' A' ' 94' ' ' PHE . 83.8 m-85 -104.31 -20.85 13.63 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.05 1.34 . . . . 0.0 113.365 175.331 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 57.28 -13.51 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 128.103 2.561 . . . . 0.0 117.042 -169.757 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -100.42 132.28 22.7 Favored Pre-proline 0 CA--C 1.547 0.856 0 C-N-CA 125.732 1.613 . . . . 0.0 110.125 169.795 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -77.58 -24.64 8.76 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 122.342 2.028 . . . . 0.0 114.329 -173.145 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.61 -37.6 30.87 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 121.019 1.736 . . . . 0.0 111.156 175.883 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -55.36 -53.02 61.44 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 123.137 0.575 . . . . 0.0 109.554 172.018 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.92 -41.0 95.92 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 118.395 -0.812 . . . . 0.0 112.785 176.263 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -58.83 -45.63 89.55 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 120.614 1.552 . . . . 0.0 112.947 177.762 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -64.9 -39.45 93.55 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-O 121.885 0.85 . . . . 0.0 110.816 175.2 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -80.36 8.22 8.0 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.465 1.906 . . . . 0.0 114.52 177.232 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 13.0 t -123.09 -24.02 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 125.96 1.704 . . . . 0.0 111.248 173.187 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.79 -1.13 12.12 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 116.158 1.91 . . . . 0.0 116.158 -176.145 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -126.76 -34.67 2.38 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.966 0.907 . . . . 0.0 110.819 168.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.43 ' CD2' ' CD1' ' A' ' 94' ' ' PHE . 13.6 tp -70.53 14.88 0.11 Allowed 'General case' 0 CA--C 1.557 1.214 0 C-N-CA 126.116 1.766 . . . . 0.0 114.372 170.466 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -130.88 139.62 50.13 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 120.026 -1.671 . . . . 0.0 112.59 -169.8 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 68.93 -19.64 0.42 Allowed Glycine 0 CA--C 1.541 1.662 0 C-N-CA 127.351 2.405 . . . . 0.0 118.166 175.077 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . 0.279 2.0 ppt_? -89.3 -34.09 16.7 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 118.994 2.961 . . . . 0.0 118.994 -168.287 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . 0.443 ' H ' HG12 ' A' ' 140' ' ' VAL . 2.5 m 145.54 152.28 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 131.33 3.852 . . . . 0.0 109.437 -177.505 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 135' ' ' LEU 0.258 13.4 tp -130.63 -96.02 0.36 Allowed 'General case' 0 N--CA 1.486 1.342 0 CA-C-N 119.958 1.254 . . . . 0.0 112.949 169.011 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 36.4 t -56.96 -39.17 74.08 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-N 121.339 1.881 . . . . 0.0 111.744 172.297 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 162.55 31.4 0.02 OUTLIER Glycine 0 CA--C 1.535 1.284 0 N-CA-C 115.387 0.915 . . . . 0.0 115.387 172.138 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 19.9 t -160.9 -161.72 0.86 Allowed 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 105.372 -2.084 . . . . 0.0 105.372 -176.224 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 15.0 ptt180 -41.43 141.79 0.67 Allowed 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.206 1.402 . . . . 0.0 114.688 179.811 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.443 HG12 ' H ' ' A' ' 134' ' ' THR . 5.1 p -141.22 132.09 27.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 C-N-CA 125.521 1.528 . . . . 0.0 107.006 166.607 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.61 104.07 3.58 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 -172.281 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 99.1 t -137.04 129.38 43.79 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 123.707 0.803 . . . . 0.0 109.805 -168.001 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -147.65 150.53 34.55 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 119.505 1.048 . . . . 0.0 111.68 -171.317 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.06 152.97 43.51 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 120.264 1.393 . . . . 0.0 111.466 172.76 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 67.9 m . . . . . 0 N--CA 1.473 0.702 0 N-CA-C 114.795 1.406 . . . . 0.0 114.795 -169.496 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.544 0.738 0 CA-C-O 120.879 0.371 . . . . 0.0 111.933 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.431 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 86.4 m-85 -126.0 155.04 42.06 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 127.698 2.399 . . . . 0.0 109.04 175.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -107.14 161.76 14.47 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.925 1.29 . . . . 0.0 111.461 -179.666 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.691 HD22 ' HB3' ' A' ' 30' ' ' PHE . 17.5 tp -142.47 140.55 31.93 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 126.746 2.018 . . . . 0.0 110.56 173.045 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.6 mp -120.9 113.92 41.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 125.241 1.416 . . . . 0.0 110.47 174.851 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.402 ' HA ' HG13 ' A' ' 54' ' ' VAL . 3.6 mp -86.85 67.75 9.91 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 127.721 2.408 . . . . 0.0 109.215 178.55 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 . . . . . 0 CA--C 1.561 1.4 0 C-N-CA 126.563 1.945 . . . . 0.0 114.313 -179.45 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.471 0.611 0 N-CA-C 117.243 2.312 . . . . 0.0 117.243 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -168.87 -157.42 11.52 Favored Glycine 0 CA--C 1.527 0.83 0 N-CA-C 116.661 1.424 . . . . 0.0 116.661 169.679 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -143.49 162.67 35.2 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.082 1.353 . . . . 0.0 111.716 -174.202 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.8 t -158.13 -177.55 6.64 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.469 1.508 . . . . 0.0 110.551 169.758 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 72.4 p -142.39 168.22 20.26 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 125.658 1.583 . . . . 0.0 110.503 173.382 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.6 HG21 ' CG1' ' A' ' 29' ' ' VAL . 5.2 t -153.36 149.37 27.76 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.336 1.054 . . . . 0.0 110.99 175.81 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.6 tp10 -78.51 118.98 21.16 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 167.614 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -138.95 176.05 9.03 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.002 1.321 . . . . 0.0 113.45 177.723 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 62.1 t -79.33 -48.0 21.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 O-C-N 121.2 -0.938 . . . . 0.0 110.25 169.19 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.431 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 5.2 t70 178.47 -157.3 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 131.17 3.788 . . . . 0.0 105.973 178.888 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.79 -20.26 1.22 Allowed 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 121.189 1.813 . . . . 0.0 114.306 169.821 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.75 -8.34 20.65 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.502 1.121 . . . . 0.0 113.685 172.654 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 36.9 m -140.56 -35.41 0.49 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.112 1.765 . . . . 0.0 112.441 177.341 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.403 ' HA ' HG12 ' A' ' 29' ' ' VAL . . . -68.6 -36.87 79.26 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.416 1.486 . . . . 0.0 111.052 176.407 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -76.74 6.97 5.15 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 114.527 1.306 . . . . 0.0 114.527 179.376 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.19 13.96 3.87 Favored 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 124.972 1.309 . . . . 0.0 111.997 174.957 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.6 ' CG1' HG21 ' A' ' 18' ' ' THR . 3.2 p -120.09 -42.31 2.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 124.292 1.037 . . . . 0.0 112.545 179.745 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.691 ' HB3' HD22 ' A' ' 5' ' ' LEU . 22.1 m-85 -64.57 -27.54 69.02 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.15 0.58 . . . . 0.0 112.053 169.7 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -62.13 -3.46 1.29 Allowed 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.435 1.494 . . . . 0.0 115.029 176.034 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -107.0 -52.68 2.73 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.114 0.966 . . . . 0.0 109.093 169.645 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -61.66 -44.87 96.14 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 123.254 0.622 . . . . 0.0 112.303 -176.09 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.31 -52.9 63.5 Favored 'General case' 0 N--CA 1.456 -0.171 0 O-C-N 121.464 -0.772 . . . . 0.0 110.979 175.522 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -67.37 -18.79 65.28 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.081 1.752 . . . . 0.0 112.717 -177.12 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -84.43 -32.3 24.15 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.943 1.297 . . . . 0.0 112.055 173.967 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 66.4 m-80 -72.9 -33.82 66.25 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 168.037 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 122.35 -5.95 10.06 Favored Glycine 0 N--CA 1.439 -1.136 0 C-N-CA 128.612 3.006 . . . . 0.0 113.894 171.943 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.408 HG11 HG13 ' A' ' 54' ' ' VAL . 37.6 t -69.1 148.48 11.59 Favored 'Isoleucine or valine' 0 C--N 1.342 0.251 0 CA-C-N 118.7 1.25 . . . . 0.0 112.005 175.364 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -163.43 34.35 0.09 Allowed 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 114.577 -1.192 . . . . 0.0 111.632 173.59 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -57.5 -159.17 0.02 OUTLIER Glycine 0 CA--C 1.541 1.704 0 C-N-CA 127.461 2.458 . . . . 0.0 117.976 179.732 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -65.33 88.62 0.08 Allowed 'General case' 0 CA--C 1.547 0.853 0 O-C-N 121.23 -1.159 . . . . 0.0 111.648 172.664 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 84.2 m95 -59.25 117.42 4.75 Favored 'General case' 0 C--O 1.235 0.294 0 O-C-N 120.492 -1.38 . . . . 0.0 110.024 179.926 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.01 163.07 28.4 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 126.689 1.996 . . . . 0.0 110.608 -171.848 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -153.04 164.7 37.51 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.39 1.076 . . . . 0.0 111.408 179.624 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -141.31 152.6 44.58 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.639 1.975 . . . . 0.0 110.0 -174.302 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.452 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -124.64 4.53 8.22 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 114.785 1.402 . . . . 0.0 114.785 -177.338 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -92.09 -29.87 16.31 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.862 1.265 . . . . 0.0 110.573 169.547 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -130.37 -7.83 4.22 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 -176.206 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.452 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 1.6 mmpt? 61.03 45.77 8.95 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.063 1.745 . . . . 0.0 112.681 179.232 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 63.5 m -120.47 111.84 18.22 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.912 0.885 . . . . 0.0 111.368 -172.507 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -63.9 158.13 22.99 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 122.068 0.937 . . . . 0.0 111.104 169.003 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 27.0 m -145.13 160.61 41.15 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 125.334 1.454 . . . . 0.0 107.496 170.406 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.408 HG13 HG11 ' A' ' 39' ' ' VAL 0.252 7.2 p -156.23 70.14 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 CA-C-O 122.728 1.251 . . . . 0.0 109.662 -177.071 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 62.9 m . . . . . 0 N--CA 1.475 0.82 0 C-N-CA 124.569 1.147 . . . . 0.0 111.274 -175.35 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.0 mtmp? . . . . . 0 N--CA 1.471 0.617 0 CA-C-O 122.825 1.297 . . . . 0.0 111.739 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 74.1 t -119.2 126.81 75.69 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 C-N-CA 128.177 2.591 . . . . 0.0 108.426 -169.531 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -79.03 152.18 31.06 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 123.444 0.698 . . . . 0.0 110.134 176.68 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.467 HG13 ' HB3' ' A' ' 113' ' ' ALA . 0.2 OUTLIER -154.17 154.21 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 122.192 0.996 . . . . 0.0 112.862 170.125 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 C-N-CA 126.474 1.987 . . . . 0.0 109.989 168.859 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.468 0.471 0 N-CA-C 115.451 1.648 . . . . 0.0 115.451 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 7.9 m -58.08 -52.39 65.73 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 119.869 1.213 . . . . 0.0 112.36 -171.782 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.93 -58.98 6.14 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 -177.641 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.9 pp -65.76 -32.65 74.31 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 118.91 -0.567 . . . . 0.0 111.432 -173.109 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -57.33 -49.35 76.41 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 119.528 1.058 . . . . 0.0 111.948 173.821 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.09 -33.61 73.8 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 119.105 0.866 . . . . 0.0 112.272 173.839 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.32 -38.31 89.77 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.54 0.736 . . . . 0.0 112.203 -179.289 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.498 ' CD2' HG11 ' A' ' 115' ' ' VAL . 14.9 m-85 -76.56 -62.35 1.66 Allowed 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 125.36 1.464 . . . . 0.0 111.412 175.949 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -52.2 -22.62 10.43 Favored Glycine 0 CA--C 1.547 2.081 0 N-CA-C 115.692 1.037 . . . . 0.0 115.692 177.287 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -51.83 -51.61 55.29 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.314 1.445 . . . . 0.0 112.956 168.29 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -69.89 -43.85 70.94 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.951 0.901 . . . . 0.0 111.18 179.482 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -170.95 162.74 35.71 Favored Glycine 0 N--CA 1.478 1.494 0 CA-C-O 118.343 -1.254 . . . . 0.0 113.259 175.248 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -67.35 132.71 28.22 Favored 'Trans proline' 0 CA--C 1.534 0.498 0 CA-C-N 121.552 2.676 . . . . 0.0 113.794 -169.534 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.402 HD13 ' CG2' ' A' ' 103' ' ' VAL . 16.5 mt -69.49 166.38 18.95 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.057 1.743 . . . . 0.0 113.051 175.089 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -130.15 -23.74 2.68 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 127.093 2.157 . . . . 0.0 112.495 175.596 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 11.2 t -157.21 151.65 25.21 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.05 1.34 . . . . 0.0 111.015 169.474 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.402 ' CG2' HD13 ' A' ' 100' ' ' LEU . 80.1 t -143.91 132.13 18.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 125.341 1.456 . . . . 0.0 109.302 173.395 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 53.7 t90 -144.56 153.17 41.54 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 126.598 1.959 . . . . 0.0 111.303 178.741 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.427 ' HA ' ' HA ' ' A' ' 113' ' ' ALA . 2.9 m -139.16 149.57 23.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 O-C-N 121.045 -1.034 . . . . 0.0 112.108 169.934 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.63 0 C-N-CA 123.656 0.782 . . . . 0.0 112.956 -173.38 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 2.6 p90 . . . . . 0 CA--C 1.542 0.659 0 CA-C-O 123.055 1.407 . . . . 0.0 113.945 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.467 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -153.63 173.41 15.82 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 127.906 2.483 . . . . 0.0 112.625 -172.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -145.0 147.71 32.94 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.705 0.802 . . . . 0.0 112.579 170.598 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.498 HG11 ' CD2' ' A' ' 94' ' ' PHE . 14.4 m -137.18 179.63 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 C-N-CA 124.626 1.171 . . . . 0.0 112.269 176.468 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -152.69 150.49 29.51 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.415 1.486 . . . . 0.0 109.078 169.854 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.447 ' CZ ' ' HB3' ' A' ' 94' ' ' PHE . 47.1 m-85 -117.46 166.64 12.1 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.42 1.088 . . . . 0.0 112.93 -176.372 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -53.31 -35.08 59.77 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.831 1.252 . . . . 0.0 112.469 172.078 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -151.98 135.4 9.43 Favored Pre-proline 0 CA--C 1.549 0.936 0 C-N-CA 124.977 1.311 . . . . 0.0 110.421 -171.637 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -47.71 -29.08 10.38 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 125.042 3.828 . . . . 0.0 115.336 170.21 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 11.2 ptt-85 -54.57 -38.98 67.32 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 119.702 1.137 . . . . 0.0 111.736 171.52 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -83.75 -41.72 17.32 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -172.562 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.97 -45.63 82.75 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.436 0.694 . . . . 0.0 112.184 169.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.31 -44.48 87.76 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.984 0.914 . . . . 0.0 112.795 178.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -74.15 -31.58 62.78 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.43 -0.794 . . . . 0.0 112.5 179.364 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.43 -55.94 25.72 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 169.246 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.416 HG22 HG12 ' A' ' 142' ' ' VAL . 35.3 t -48.26 -46.5 13.73 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 124.645 1.178 . . . . 0.0 112.053 171.552 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -51.21 -43.45 61.4 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.471 1.509 . . . . 0.0 112.597 179.429 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -113.65 2.9 15.42 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 115.641 1.719 . . . . 0.0 115.641 -176.946 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.45 ' HB3' HG21 ' A' ' 142' ' ' VAL . 42.7 mt -99.25 -38.3 8.93 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.448 1.499 . . . . 0.0 114.173 173.828 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -64.89 149.63 49.23 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 115.407 1.632 . . . . 0.0 115.407 -168.911 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 69.86 -56.49 0.76 Allowed Glycine 0 CA--C 1.535 1.339 0 C-N-CA 128.193 2.806 . . . . 0.0 118.278 169.218 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 46.6 mtm180 -62.13 -69.4 0.25 Allowed 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.167 1.787 . . . . 0.0 115.656 -167.794 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.2 m -175.6 147.65 0.84 Allowed 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 126.669 1.988 . . . . 0.0 109.008 -170.938 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 2.4 tt -140.67 -62.9 0.48 Allowed 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.216 1.006 . . . . 0.0 109.668 169.46 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 4.0 t -70.0 -44.08 70.09 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 119.199 0.909 . . . . 0.0 111.562 169.835 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 154.8 14.05 0.06 OUTLIER Glycine 0 CA--C 1.538 1.478 0 N-CA-C 116.434 1.334 . . . . 0.0 116.434 -176.998 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 8.9 t -150.45 174.12 13.28 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.744 1.618 . . . . 0.0 107.817 173.836 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.22 130.49 47.22 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.261 1.424 . . . . 0.0 111.514 -169.846 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 22.6 m -117.3 179.06 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 126.814 2.046 . . . . 0.0 112.543 -173.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -140.11 133.33 29.71 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 127.763 2.425 . . . . 0.0 108.226 173.419 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.45 HG21 ' HB3' ' A' ' 130' ' ' LEU . 58.4 t -147.47 122.47 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 169.212 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -148.66 -162.15 1.49 Allowed 'General case' 0 N--CA 1.476 0.831 0 O-C-N 121.221 -0.924 . . . . 0.0 111.595 -169.977 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 10.3 tp -118.37 146.3 44.5 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.156 1.383 . . . . 0.0 109.686 174.356 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 19.1 m . . . . . 0 N--CA 1.477 0.897 0 C-N-CA 125.338 1.455 . . . . 0.0 114.853 -177.867 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.9 mtm . . . . . 0 N--CA 1.483 1.19 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -83.55 145.22 29.0 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 120.835 -1.166 . . . . 0.0 111.929 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.418 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 96.9 m-85 -130.5 158.27 40.38 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 127.4 2.28 . . . . 0.0 109.089 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -112.26 162.65 15.27 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.158 1.383 . . . . 0.0 111.672 -176.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.501 HD11 ' HG ' ' A' ' 7' ' ' LEU . 1.5 tm? -146.8 136.77 23.36 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 126.278 1.831 . . . . 0.0 110.86 174.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mp -116.05 131.76 67.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 126.5 1.92 . . . . 0.0 110.746 173.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.501 ' HG ' HD11 ' A' ' 5' ' ' LEU . 2.8 mp -107.34 55.71 0.65 Allowed 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 128.183 2.593 . . . . 0.0 110.918 -176.179 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -56.6 86.18 0.01 OUTLIER 'General case' 0 CA--C 1.555 1.167 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 -178.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -117.36 172.77 14.44 Favored Glycine 0 N--CA 1.473 1.117 0 O-C-N 120.727 -1.233 . . . . 0.0 115.426 171.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 58.0 tptt -62.13 -44.37 96.77 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 121.738 -0.86 . . . . 0.0 112.794 -172.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 36.0 p -123.06 -33.91 3.25 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 -170.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.747 ' H ' HD23 ' A' ' 12' ' ' LEU . 2.6 pt? -99.97 -3.38 32.35 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 116.408 2.003 . . . . 0.0 116.408 -168.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.469 ' H ' ' HE2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -42.3 147.59 0.25 Allowed 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 117.283 2.327 . . . . 0.0 117.283 -168.763 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -170.11 -155.49 10.25 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 117.484 1.754 . . . . 0.0 117.484 169.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -156.44 158.78 37.88 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 126.481 1.912 . . . . 0.0 112.133 177.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.0 t -156.73 -175.49 5.46 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.908 1.683 . . . . 0.0 110.092 177.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 61.9 p -142.76 170.72 15.17 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 125.804 1.642 . . . . 0.0 110.739 176.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.8 t -157.23 152.73 26.52 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.814 0.846 . . . . 0.0 111.584 172.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.7 tp10 -76.29 122.21 24.08 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 107.0 -1.481 . . . . 0.0 107.0 166.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.22 178.13 7.41 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.461 1.504 . . . . 0.0 112.02 174.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.9 p -84.44 -39.91 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 O-C-N 120.989 -1.07 . . . . 0.0 110.807 169.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.418 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 3.2 p30 178.19 -163.69 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 129.86 3.264 . . . . 0.0 108.054 -179.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.32 -27.19 0.97 Allowed 'General case' 0 CA--C 1.553 1.091 0 N-CA-C 114.093 1.145 . . . . 0.0 114.093 170.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.77 -5.41 20.52 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.688 1.595 . . . . 0.0 113.88 178.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.9 m -134.09 -35.38 0.95 Allowed 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 125.079 1.352 . . . . 0.0 112.277 173.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.26 -37.99 89.44 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.775 0.83 . . . . 0.0 110.861 175.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -74.63 4.9 5.43 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 178.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.44 18.53 3.97 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 120.298 -1.501 . . . . 0.0 111.788 174.462 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.7 t -119.59 -52.14 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 125.344 1.457 . . . . 0.0 110.01 177.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -61.4 -27.12 68.31 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 123.767 0.827 . . . . 0.0 113.171 176.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -55.76 -30.43 61.24 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.642 1.177 . . . . 0.0 112.975 175.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -81.16 -53.81 6.06 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.291 0.637 . . . . 0.0 109.932 177.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -59.92 -41.7 92.32 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.336 1.054 . . . . 0.0 112.372 -177.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.78 -49.45 77.67 Favored 'General case' 0 N--CA 1.452 -0.354 0 O-C-N 121.384 -0.823 . . . . 0.0 111.724 176.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -65.29 -22.24 66.82 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 174.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -77.44 -29.43 52.88 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.67 1.123 . . . . 0.0 112.626 174.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 -78.17 -41.57 34.28 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 168.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 125.67 -1.84 8.05 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 129.016 3.198 . . . . 0.0 114.556 171.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 41.3 t -73.61 146.0 10.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 CA-C-N 118.925 1.363 . . . . 0.0 110.865 176.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -161.61 53.71 0.25 Allowed 'General case' 0 CA--C 1.55 0.96 0 CA-C-O 121.78 0.8 . . . . 0.0 112.663 169.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.404 ' H ' HG22 ' A' ' 54' ' ' VAL . . . -92.08 -137.72 7.9 Favored Glycine 0 CA--C 1.541 1.672 0 C-N-CA 125.627 1.584 . . . . 0.0 115.451 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -69.86 93.68 0.77 Allowed 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.724 1.21 . . . . 0.0 113.002 -172.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 84.5 m95 -64.74 113.74 3.98 Favored 'General case' 0 C--O 1.235 0.315 0 O-C-N 120.158 -1.589 . . . . 0.0 110.7 178.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.88 163.67 25.83 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 125.982 1.713 . . . . 0.0 111.27 -172.213 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -147.21 147.01 30.03 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.389 1.475 . . . . 0.0 110.161 175.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -112.25 121.21 44.27 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 124.288 1.035 . . . . 0.0 108.93 171.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.7 0.59 42.68 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 115.343 1.609 . . . . 0.0 115.343 -173.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -111.98 -29.2 7.72 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.183 1.393 . . . . 0.0 112.607 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.2 t -113.65 3.35 15.6 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.74 0.816 . . . . 0.0 112.488 173.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? 54.65 40.43 31.88 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 126.076 1.75 . . . . 0.0 112.527 169.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.8 m -121.77 114.42 21.07 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 125.718 1.607 . . . . 0.0 109.167 -170.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -68.03 162.41 24.58 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 122.249 1.024 . . . . 0.0 111.271 169.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.7 m -145.67 157.77 43.92 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 124.713 1.205 . . . . 0.0 108.043 169.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.404 HG22 ' H ' ' A' ' 41' ' ' GLY . 9.1 p -147.67 72.83 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 126.273 1.829 . . . . 0.0 109.486 177.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.9 m -67.45 110.41 3.6 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 121.305 -0.872 . . . . 0.0 110.202 179.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -57.4 146.27 29.86 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 128.021 2.528 . . . . 0.0 115.749 -169.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -167.01 38.33 0.24 Allowed Glycine 0 CA--C 1.535 1.338 0 C-N-CA 126.448 1.975 . . . . 0.0 110.638 169.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.7 m -146.09 -14.21 0.47 Allowed 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.932 1.693 . . . . 0.0 114.779 -168.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -85.31 8.75 17.5 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 124.694 1.198 . . . . 0.0 112.043 174.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 60.1 m80 58.24 36.81 25.98 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 127.32 2.248 . . . . 0.0 115.145 169.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -144.34 132.01 21.18 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.158 0.983 . . . . 0.0 112.726 171.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -164.67 146.68 8.34 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.516 1.526 . . . . 0.0 110.979 170.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 15.8 p80 -158.81 156.68 30.15 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.416 1.486 . . . . 0.0 109.991 168.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 24.9 p-80 -156.4 -172.8 4.22 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.637 1.575 . . . . 0.0 110.397 170.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.75 57.65 0.06 Allowed 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 127.486 2.314 . . . . 0.0 115.93 -175.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 10.2 p-80 -129.83 155.8 45.39 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.973 1.709 . . . . 0.0 111.387 173.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.2 tpp180 -161.16 -71.1 0.06 Allowed 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 169.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -82.68 38.82 0.58 Allowed 'General case' 0 CA--C 1.555 1.144 0 C-N-CA 125.366 1.466 . . . . 0.0 112.701 -176.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.4 t -151.36 38.78 0.64 Allowed 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.995 2.118 . . . . 0.0 110.25 -177.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 53.1 m -111.18 171.86 4.0 Favored Pre-proline 0 CA--C 1.544 0.734 0 C-N-CA 126.124 1.77 . . . . 0.0 111.867 -173.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -48.61 -14.23 0.34 Allowed 'Trans proline' 0 CA--C 1.542 0.878 0 C-N-CA 124.758 3.639 . . . . 0.0 117.632 172.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 81.5 mt -76.88 -27.6 55.06 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 119.87 1.214 . . . . 0.0 113.34 171.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -84.27 -4.52 58.9 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.26 1.424 . . . . 0.0 114.426 -169.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 35.4 m -65.71 7.9 0.22 Allowed 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 117.85 2.537 . . . . 0.0 117.85 -169.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -76.08 141.98 41.87 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 120.522 1.51 . . . . 0.0 111.805 176.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.61 ' HB ' HG13 ' A' ' 115' ' ' VAL . 14.4 t -138.68 158.28 30.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 126.685 1.994 . . . . 0.0 109.706 -169.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -122.88 144.61 49.1 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 128.123 2.569 . . . . 0.0 110.225 178.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.425 HG13 ' HB3' ' A' ' 113' ' ' ALA . 2.0 p -143.61 134.14 21.78 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-O 121.373 0.606 . . . . 0.0 110.739 169.297 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -152.15 173.35 31.33 Favored Glycine 0 N--CA 1.47 0.944 0 N-CA-C 115.47 0.948 . . . . 0.0 115.47 173.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 54.25 54.23 9.82 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.474 1.11 . . . . 0.0 110.299 -168.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 52.7 tp -96.04 -29.37 14.16 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 126.43 1.892 . . . . 0.0 114.479 -175.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 111.97 159.99 15.34 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 125.475 1.512 . . . . 0.0 109.422 -169.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 32.5 m120 -67.3 92.51 0.28 Allowed 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 118.542 1.171 . . . . 0.0 112.637 -172.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -153.01 125.34 8.1 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 126.772 2.029 . . . . 0.0 110.113 -177.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -136.58 39.0 1.69 Allowed Glycine 0 CA--C 1.531 1.043 0 C-N-CA 125.689 1.614 . . . . 0.0 112.071 174.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -110.52 -0.46 17.36 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.303 1.441 . . . . 0.0 112.202 -175.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.253 19.0 pttp 48.9 -28.52 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 131.6 3.96 . . . . 0.0 119.085 -171.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 22.1 m -50.09 -47.65 53.64 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 126.555 1.942 . . . . 0.0 113.946 -169.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.72 -57.62 9.4 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 -178.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.406 HD12 ' N ' ' A' ' 91' ' ' GLU . 3.8 pp -64.51 -32.36 73.96 Favored 'General case' 0 C--O 1.22 -0.476 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.335 -176.385 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.406 ' N ' HD12 ' A' ' 90' ' ' LEU . 36.7 tt0 -64.73 -48.63 73.93 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 125.521 1.529 . . . . 0.0 111.284 178.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.44 -31.96 70.6 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 118.536 -0.745 . . . . 0.0 112.378 172.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.09 -46.85 87.24 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 119.187 0.903 . . . . 0.0 111.464 175.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.648 ' CZ ' HG11 ' A' ' 115' ' ' VAL . 15.0 m-85 -62.95 -63.24 1.26 Allowed 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 125.038 1.335 . . . . 0.0 111.411 174.212 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -58.08 -20.25 41.58 Favored Glycine 0 CA--C 1.546 2.024 0 N-CA-C 115.917 1.127 . . . . 0.0 115.917 -179.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -57.69 -50.75 72.16 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 119.295 1.547 . . . . 0.0 112.976 169.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -63.17 -37.99 89.4 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 118.822 0.737 . . . . 0.0 110.07 174.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 174.74 160.84 23.49 Favored Glycine 0 N--CA 1.473 1.147 0 CA-C-O 118.577 -1.124 . . . . 0.0 114.625 168.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -54.22 127.67 26.77 Favored 'Trans proline' 0 CA--C 1.536 0.61 0 CA-C-N 121.133 2.466 . . . . 0.0 117.113 -169.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.418 ' HA ' ' HA ' ' A' ' 117' ' ' PHE . 21.3 mt -67.4 169.21 9.37 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.785 2.034 . . . . 0.0 113.243 169.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -123.78 -37.55 2.6 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.756 2.022 . . . . 0.0 111.25 169.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 9.0 t -154.6 157.26 37.95 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.73 1.212 . . . . 0.0 111.594 174.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 78.6 t -144.71 142.22 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 125.614 1.566 . . . . 0.0 108.829 176.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 81.5 t90 -138.77 145.01 39.67 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 125.703 1.601 . . . . 0.0 110.365 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 14.2 m -141.06 153.02 20.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 C-N-CA 124.416 1.087 . . . . 0.0 108.361 170.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.578 ' HB1' ' C2 ' ' B' ' 153' ' ' ' U' . . . -81.13 -172.1 3.58 Favored 'General case' 0 CA--C 1.552 1.057 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -169.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.15 -16.76 13.71 Favored 'General case' 0 N--CA 1.484 1.255 0 N-CA-C 117.736 2.495 . . . . 0.0 117.736 -168.175 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -119.46 114.29 34.62 Favored Pre-proline 0 CA--C 1.542 0.654 0 CA-C-O 117.268 -1.349 . . . . 0.0 108.921 -172.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER 6.83 63.31 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.085 1 C-N-CA 128.088 5.859 . . . . 0.0 116.781 -168.677 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -77.7 158.1 31.81 Favored 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 122.987 2.458 . . . . 0.0 114.797 -167.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -148.42 35.38 1.14 Allowed Glycine 0 CA--C 1.533 1.187 0 C-N-CA 128.299 2.857 . . . . 0.0 108.421 168.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -154.6 140.28 18.0 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 129.84 3.256 . . . . 0.0 107.422 -168.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.425 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -164.25 175.24 10.29 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.341 1.056 . . . . 0.0 112.801 -167.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -135.01 164.14 28.3 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-O 122.074 0.94 . . . . 0.0 112.835 175.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.648 HG11 ' CZ ' ' A' ' 94' ' ' PHE . 0.2 OUTLIER -153.91 155.45 6.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 124.502 1.121 . . . . 0.0 110.785 -169.198 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -143.28 128.57 18.83 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.569 1.548 . . . . 0.0 109.498 169.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.418 ' HA ' ' HA ' ' A' ' 100' ' ' LEU . 53.0 m-85 -97.58 173.56 7.08 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.212 1.005 . . . . 0.0 112.72 176.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -90.12 -55.0 3.78 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 120.977 -1.077 . . . . 0.0 112.491 176.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -87.5 130.72 46.31 Favored Pre-proline 0 CA--C 1.547 0.845 0 C-N-CA 124.4 1.08 . . . . 0.0 109.026 170.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -61.72 -22.16 73.77 Favored 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 121.889 1.726 . . . . 0.0 112.56 175.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.9 -27.04 62.58 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.597 1.159 . . . . 0.0 113.009 171.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -66.88 -46.9 73.52 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 119.683 1.129 . . . . 0.0 110.315 169.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.37 -44.96 89.07 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 122.752 0.421 . . . . 0.0 111.945 172.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.28 -49.39 77.22 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 118.645 0.657 . . . . 0.0 112.603 178.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.22 -42.91 99.42 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 118.78 0.718 . . . . 0.0 111.642 177.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.88 -55.33 34.31 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.254 0.622 . . . . 0.0 110.416 177.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 41.5 t -52.49 -41.02 35.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 124.733 1.213 . . . . 0.0 111.898 175.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.68 -20.56 61.92 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 114.968 1.47 . . . . 0.0 114.968 -179.358 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -127.75 16.2 6.92 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 115.343 1.608 . . . . 0.0 115.343 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 24.0 mt -112.09 -8.11 14.04 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.176 1.791 . . . . 0.0 113.94 172.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -93.17 151.53 19.78 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 117.19 2.292 . . . . 0.0 117.19 -168.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 57.56 22.09 44.57 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 127.077 2.275 . . . . 0.0 118.406 168.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 19.8 mtm180 -128.42 -72.81 0.6 Allowed 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.357 1.579 . . . . 0.0 114.724 -169.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 5.6 m 165.19 145.53 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 130.301 3.44 . . . . 0.0 107.853 -169.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -144.19 -65.03 0.36 Allowed 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 118.18 0.446 . . . . 0.0 110.81 168.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 18.7 t -84.72 -46.42 11.46 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 118.253 0.479 . . . . 0.0 110.657 170.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 170.29 48.05 0.03 OUTLIER Glycine 0 CA--C 1.532 1.151 0 N-CA-C 115.745 1.058 . . . . 0.0 115.745 173.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 5.9 t -153.42 -133.78 0.05 OUTLIER 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 124.197 0.999 . . . . 0.0 111.505 -174.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 18.5 mtm-85 -126.13 -3.86 6.89 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 115.939 1.829 . . . . 0.0 115.939 -170.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 6.1 m 34.13 80.63 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 130.555 3.542 . . . . 0.0 117.145 172.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -76.37 123.82 26.57 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 105.963 -1.866 . . . . 0.0 105.963 166.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 96.7 t -137.43 122.8 25.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 -171.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -142.75 167.78 21.27 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.464 0.705 . . . . 0.0 110.706 -169.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 4.2 pp -69.95 147.8 49.74 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 120.302 -1.499 . . . . 0.0 108.551 167.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.5 t -77.6 126.78 31.42 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 121.777 -0.577 . . . . 0.0 111.046 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 49.7 p30 -78.56 3.3 16.51 Favored 'General case' 0 CA--C 1.552 1.047 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 174.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -78.89 47.5 3.11 Favored Glycine 0 CA--C 1.539 1.575 0 C-N-CA 125.862 1.696 . . . . 0.0 116.287 -172.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -147.74 159.58 43.66 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 119.225 1.513 . . . . 0.0 112.888 175.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.06 25.08 2.52 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 126.696 1.998 . . . . 0.0 112.841 178.141 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 15.6 mmt180 . . . . . 0 N--CA 1.483 1.192 0 C-N-CA 126.827 2.051 . . . . 0.0 112.076 -168.303 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 151' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.826 1 C3'-C2'-C1' 105.393 4.326 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 152' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.124 3 O4'-C1'-N19 115.272 7.072 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 153' ' ' ' U' . . . . . 0.578 ' C2 ' ' HB1' ' A' ' 106' ' ' ALA . . . . . . . . 0 C5'--C4' 1.554 3.362 1 N19-C1'-C2' 124.363 6.852 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.351 4 O4'-C1'-N19 118.274 10.074 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.483 1.223 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -88.74 143.04 27.18 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 120.891 -1.13 . . . . 0.0 111.647 175.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.443 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 89.8 m-85 -128.7 156.57 43.28 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 127.347 2.259 . . . . 0.0 108.759 -178.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -110.7 161.55 15.65 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.903 1.281 . . . . 0.0 111.414 -178.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.467 HD11 ' HG ' ' A' ' 7' ' ' LEU . 1.5 tm? -146.03 135.45 23.01 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 126.097 1.759 . . . . 0.0 110.572 175.191 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mp -111.62 129.04 67.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 126.218 1.807 . . . . 0.0 110.458 172.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.467 ' HG ' HD11 ' A' ' 5' ' ' LEU . 2.4 mp -102.63 65.06 0.9 Allowed 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 128.005 2.522 . . . . 0.0 109.651 178.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -55.97 95.36 0.01 OUTLIER 'General case' 0 CA--C 1.555 1.147 0 C-N-CA 124.108 0.963 . . . . 0.0 112.46 172.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -144.77 147.82 19.23 Favored Glycine 0 CA--C 1.533 1.186 0 O-C-N 120.594 -1.316 . . . . 0.0 115.635 170.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 18.3 pttm -38.18 -37.84 0.3 Allowed 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 130.745 3.618 . . . . 0.0 120.703 -169.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.1 m -137.75 3.45 2.49 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.594 1.158 . . . . 0.0 112.254 -168.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -146.03 -2.15 0.72 Allowed 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 116.266 1.95 . . . . 0.0 116.266 -167.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.57 146.77 0.21 Allowed 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 116.851 2.167 . . . . 0.0 116.851 -168.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -168.4 -157.54 11.4 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 117.7 1.84 . . . . 0.0 117.7 169.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -157.84 157.88 34.1 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.448 1.899 . . . . 0.0 112.075 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.3 t -156.8 -174.77 5.08 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.921 1.688 . . . . 0.0 110.1 177.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 64.0 p -141.53 170.19 16.18 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 125.84 1.656 . . . . 0.0 110.899 176.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.3 t -156.45 154.82 31.03 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.833 0.853 . . . . 0.0 111.432 171.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -80.66 117.08 21.04 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 168.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -134.82 177.13 8.03 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.627 1.571 . . . . 0.0 112.645 179.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 52.3 t -85.95 -39.07 13.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 O-C-N 121.294 -0.879 . . . . 0.0 111.741 170.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.443 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 2.9 t70 175.95 -156.05 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 131.14 3.776 . . . . 0.0 106.679 172.26 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.19 -21.97 2.34 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 120.402 1.455 . . . . 0.0 114.325 169.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.39 -7.81 21.63 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.788 1.235 . . . . 0.0 113.589 173.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 22.1 m -138.02 -35.72 0.62 Allowed 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.579 1.552 . . . . 0.0 112.62 176.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.24 -39.54 92.85 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.362 1.065 . . . . 0.0 110.511 175.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -76.87 8.82 3.36 Favored 'General case' 0 CA--C 1.553 1.068 0 N-CA-C 114.435 1.272 . . . . 0.0 114.435 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.404 ' O ' ' HE3' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -132.33 17.63 4.46 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.966 1.706 . . . . 0.0 112.482 170.124 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.8 t -118.36 -48.4 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 124.752 1.221 . . . . 0.0 109.418 172.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -63.22 -29.23 70.61 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 178.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -61.66 -31.24 71.34 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.521 0.728 . . . . 0.0 112.675 176.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -84.74 -44.93 12.9 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.55 1.14 . . . . 0.0 110.159 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -63.02 -42.86 99.9 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.63 0.772 . . . . 0.0 111.989 177.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.76 -47.45 80.95 Favored 'General case' 0 N--CA 1.453 -0.302 0 O-C-N 121.318 -0.864 . . . . 0.0 112.053 -178.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -64.28 -23.13 67.19 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 174.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -79.04 -28.76 43.26 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.248 0.931 . . . . 0.0 113.135 175.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -77.97 -40.97 37.62 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 167.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 125.64 -0.41 7.95 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 128.439 2.923 . . . . 0.0 114.988 169.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.4 t -77.96 141.9 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-N 118.799 1.299 . . . . 0.0 109.908 175.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -161.61 60.7 0.26 Allowed 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 122.378 1.085 . . . . 0.0 113.046 169.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.427 ' H ' HG22 ' A' ' 54' ' ' VAL . . . -92.04 -147.65 20.99 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 125.163 1.363 . . . . 0.0 115.54 177.445 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -65.47 117.48 8.03 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.695 0.798 . . . . 0.0 111.011 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 77.8 m95 -81.64 130.63 35.12 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.916 0.865 . . . . 0.0 110.592 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -136.03 159.18 42.49 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 126.594 1.958 . . . . 0.0 110.105 -173.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -156.29 165.95 34.86 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.389 1.476 . . . . 0.0 110.701 -178.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -141.97 165.56 27.12 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.623 1.169 . . . . 0.0 112.18 176.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.454 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -125.18 0.31 7.8 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 115.122 1.527 . . . . 0.0 115.122 -179.592 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -94.01 -31.21 14.33 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.011 1.325 . . . . 0.0 111.367 170.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.1 t -129.73 2.43 4.94 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.611 1.164 . . . . 0.0 113.728 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.454 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 3.0 mmpt? 51.57 41.05 28.35 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 125.044 1.338 . . . . 0.0 113.612 168.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 45.2 m -118.02 111.6 19.16 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 125.815 1.646 . . . . 0.0 109.119 -170.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -67.42 162.97 21.89 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 122.196 0.998 . . . . 0.0 111.316 169.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.2 m -146.59 153.24 40.11 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 124.822 1.249 . . . . 0.0 108.139 169.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.427 HG22 ' H ' ' A' ' 41' ' ' GLY . 13.1 p -138.24 107.58 4.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 126.1 1.76 . . . . 0.0 108.403 171.559 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 87.0 m -109.28 104.13 13.21 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.776 0.83 . . . . 0.0 110.689 -173.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -46.97 120.64 3.16 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 126.088 1.755 . . . . 0.0 112.022 -175.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 49.3 28.24 8.74 Favored Glycine 0 CA--C 1.54 1.643 0 N-CA-C 116.14 1.216 . . . . 0.0 116.14 179.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.7 m 58.54 26.4 14.3 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.469 1.508 . . . . 0.0 114.889 -174.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -140.39 153.52 46.37 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.784 1.234 . . . . 0.0 112.419 174.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 13.8 t-160 -153.96 105.99 2.8 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 121.283 -0.885 . . . . 0.0 112.565 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -132.33 -157.42 0.82 Allowed 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 126.331 1.853 . . . . 0.0 109.653 175.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -131.83 102.12 5.73 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.044 1.337 . . . . 0.0 109.883 175.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 13.1 p80 -143.61 178.18 7.97 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.222 1.009 . . . . 0.0 112.096 176.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 6.7 m80 -126.5 -139.66 0.27 Allowed 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.29 1.036 . . . . 0.0 112.093 -167.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.89 19.36 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 127.103 2.161 . . . . 0.0 115.521 173.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 28.6 p80 -142.28 161.47 37.95 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 127.828 2.451 . . . . 0.0 109.579 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -75.71 143.99 41.79 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.348 0.659 . . . . 0.0 110.228 171.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -68.75 -5.09 18.55 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.531 1.532 . . . . 0.0 114.572 171.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 88.7 p -67.38 -6.53 19.42 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.002 1.321 . . . . 0.0 114.267 170.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 42.2 t -124.69 76.95 64.51 Favored Pre-proline 0 CA--C 1.549 0.915 0 C-N-CA 125.652 1.581 . . . . 0.0 111.102 171.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_exo -57.46 80.57 0.04 OUTLIER 'Trans proline' 0 CA--C 1.544 0.988 0 C-N-CA 124.909 3.74 . . . . 0.0 113.46 169.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -58.61 -11.11 2.69 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 126.265 1.826 . . . . 0.0 115.31 -178.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -70.63 -9.44 57.01 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 127.51 2.324 . . . . 0.0 114.933 169.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 94.0 m -67.9 13.64 0.08 Allowed 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 115.595 1.702 . . . . 0.0 115.595 178.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -71.97 129.3 38.23 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.808 1.643 . . . . 0.0 111.569 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.447 HG13 HG13 ' A' ' 115' ' ' VAL . 0.2 OUTLIER -133.51 147.14 31.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 C-N-CA 125.874 1.67 . . . . 0.0 109.858 179.213 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -87.18 149.86 24.34 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 127.372 2.269 . . . . 0.0 109.796 177.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.1 p -148.79 115.58 0.86 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.312 0 CA-C-N 118.84 0.745 . . . . 0.0 110.731 169.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -151.49 -170.74 18.67 Favored Glycine 0 N--CA 1.473 1.142 0 N-CA-C 117.72 1.848 . . . . 0.0 117.72 -171.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.7 m120 62.25 23.65 14.01 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 126.964 2.106 . . . . 0.0 115.184 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -69.52 -23.73 63.64 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 120.972 -1.08 . . . . 0.0 112.997 170.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 81.56 -48.13 3.78 Favored Glycine 0 CA--C 1.539 1.581 0 C-N-CA 125.82 1.676 . . . . 0.0 115.993 176.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -151.66 42.97 0.73 Allowed 'General case' 0 CA--C 1.551 0.985 0 CA-C-N 118.834 1.317 . . . . 0.0 114.11 -169.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -144.46 48.14 1.36 Allowed 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.797 1.639 . . . . 0.0 112.287 -177.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -72.0 59.79 1.39 Allowed Glycine 0 N--CA 1.477 1.428 0 C-N-CA 125.098 1.332 . . . . 0.0 114.085 176.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -139.46 151.51 46.26 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 127.274 2.23 . . . . 0.0 108.775 174.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.5 ptmm? -111.02 3.95 19.09 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 116.208 1.929 . . . . 0.0 116.208 -170.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 5.5 m -58.0 -52.17 66.61 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 120.629 1.559 . . . . 0.0 111.175 175.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.87 -49.5 77.21 Favored 'General case' 0 C--N 1.339 0.135 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 176.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 59.8 mt -54.39 -55.77 25.3 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-O 121.737 0.779 . . . . 0.0 111.219 -175.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -60.32 -42.57 95.87 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 125.277 1.431 . . . . 0.0 112.01 -174.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.39 -37.05 66.11 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 119.192 0.906 . . . . 0.0 113.231 171.247 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.97 -46.33 85.1 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 119.242 0.928 . . . . 0.0 110.774 -176.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.424 ' HB3' ' CZ ' ' A' ' 117' ' ' PHE . 11.9 m-85 -63.68 -62.96 1.32 Allowed 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 125.477 1.511 . . . . 0.0 112.084 173.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.82 -19.8 56.18 Favored Glycine 0 CA--C 1.542 1.765 0 N-CA-C 115.289 0.876 . . . . 0.0 115.289 -175.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -54.98 -49.63 70.97 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.119 1.368 . . . . 0.0 112.406 168.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -71.01 -40.96 71.5 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.741 0.816 . . . . 0.0 111.183 178.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -173.72 161.69 32.29 Favored Glycine 0 N--CA 1.478 1.464 0 CA-C-O 118.8 -1.0 . . . . 0.0 114.279 169.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -64.25 140.71 72.17 Favored 'Trans proline' 0 CA--C 1.536 0.575 0 CA-C-N 120.81 2.305 . . . . 0.0 115.74 -168.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 15.7 mt -89.72 160.35 16.62 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 127.164 2.186 . . . . 0.0 113.21 -177.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -112.82 -37.66 4.78 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.928 1.691 . . . . 0.0 111.705 169.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 9.8 t -160.21 158.54 30.2 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.121 1.369 . . . . 0.0 112.107 172.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 58.7 t -141.88 143.84 26.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 125.988 1.715 . . . . 0.0 107.907 169.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 80.5 t90 -145.54 149.25 34.26 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 124.898 1.279 . . . . 0.0 111.004 -173.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.422 HG12 ' HB1' ' A' ' 113' ' ' ALA . 4.3 m -141.32 149.98 20.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.104 0.962 . . . . 0.0 109.035 173.09 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -88.31 135.89 33.24 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -169.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.413 ' HE ' ' ND2' ' A' ' 108' ' ' ASN . 0.0 OUTLIER -71.67 0.07 9.63 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 127.703 2.401 . . . . 0.0 116.543 -176.569 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.413 ' ND2' ' HE ' ' A' ' 107' ' ' ARG . 82.4 m-20 -121.35 -43.07 0.04 OUTLIER Pre-proline 0 CA--C 1.549 0.938 0 CA-C-O 117.213 -1.375 . . . . 0.0 113.857 178.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -109.72 94.73 0.02 OUTLIER 'Trans proline' 0 CA--C 1.547 1.17 0 C-N-CA 124.389 3.393 . . . . 0.0 109.543 178.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -75.88 44.98 1.4 Allowed 'Trans proline' 0 CA--C 1.544 1.022 0 C-N-CA 124.83 3.687 . . . . 0.0 113.986 -169.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -150.54 13.34 0.91 Allowed Glycine 0 CA--C 1.532 1.154 0 C-N-CA 125.282 1.42 . . . . 0.0 113.83 177.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -145.19 138.83 26.79 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 126.577 1.951 . . . . 0.0 108.795 -169.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.422 ' HB1' HG12 ' A' ' 105' ' ' VAL . . . -163.24 -179.55 6.69 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 -166.668 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -144.49 166.34 25.42 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.447 HG13 HG13 ' A' ' 76' ' ' VAL . 1.4 p -151.17 155.54 7.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 126.247 1.819 . . . . 0.0 111.086 -176.624 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 68.2 tt0 -140.49 120.15 13.34 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.272 1.429 . . . . 0.0 108.8 168.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.424 ' CZ ' ' HB3' ' A' ' 94' ' ' PHE . 33.3 m-85 -88.19 171.49 10.18 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 123.788 0.835 . . . . 0.0 112.238 177.13 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -80.16 -20.5 44.73 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 170.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -144.71 127.8 8.51 Favored Pre-proline 0 CA--C 1.551 0.995 0 C-N-CA 124.006 0.923 . . . . 0.0 111.99 -169.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_exo -56.11 -34.06 91.82 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 123.82 3.014 . . . . 0.0 114.89 177.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 22.5 ttp-105 -58.09 -47.88 81.87 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 119.104 0.865 . . . . 0.0 110.524 175.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -76.22 -34.87 59.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.183 -174.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.15 -42.65 95.33 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 122.943 0.497 . . . . 0.0 111.552 169.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -68.21 -44.61 75.39 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.761 0.824 . . . . 0.0 112.456 179.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -68.73 -34.2 75.21 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.416 -0.803 . . . . 0.0 112.261 176.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.37 -53.39 57.27 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 118.487 -0.768 . . . . 0.0 110.423 169.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 12.4 t -49.13 -48.2 17.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 C-N-CA 124.794 1.238 . . . . 0.0 111.874 172.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 19.7 ttp85 -57.85 -29.16 64.76 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.933 1.693 . . . . 0.0 113.203 177.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -114.35 16.67 17.81 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.395 1.478 . . . . 0.0 113.296 179.3 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 56.5 mt -133.73 -28.6 1.4 Allowed 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.295 1.038 . . . . 0.0 113.678 -178.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -67.6 128.4 36.3 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 120.076 1.307 . . . . 0.0 111.938 173.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 72.83 -39.02 0.77 Allowed Glycine 0 CA--C 1.535 1.329 0 C-N-CA 127.015 2.245 . . . . 0.0 116.68 171.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.88 6.47 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 130.129 3.371 . . . . 0.0 118.368 -172.622 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 90.1 m 65.42 134.12 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 128.559 2.744 . . . . 0.0 114.708 -175.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 10.3 tp -164.66 144.51 7.39 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 130.438 3.495 . . . . 0.0 102.534 -179.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 34.6 m 60.93 -57.09 0.09 Allowed 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.18 1.392 . . . . 0.0 113.211 -169.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 158.76 33.82 0.02 OUTLIER Glycine 0 CA--C 1.532 1.15 0 N-CA-C 118.37 2.108 . . . . 0.0 118.37 167.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 4.2 t -146.74 -155.72 0.65 Allowed 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 119.206 1.503 . . . . 0.0 112.331 -177.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -100.54 94.2 6.01 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 106.474 -1.676 . . . . 0.0 106.474 172.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 2.0 t -68.32 136.84 25.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 C-N-CA 125.108 1.363 . . . . 0.0 107.772 -173.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -108.55 96.7 6.52 Favored 'General case' 0 CA--C 1.511 -0.538 0 C-N-CA 124.322 1.049 . . . . 0.0 108.429 172.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 17.7 t -115.07 108.45 25.43 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 N-CA-C 106.703 -1.591 . . . . 0.0 106.703 -173.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -141.11 145.87 36.35 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 122.069 -0.394 . . . . 0.0 111.476 -167.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -60.08 130.79 48.46 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 120.217 -1.552 . . . . 0.0 109.246 173.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 32.5 t -63.4 119.35 9.55 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 121.398 0.618 . . . . 0.0 111.963 -169.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -132.14 9.47 4.46 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.933 1.693 . . . . 0.0 112.698 -175.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -84.58 171.53 47.52 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 124.19 0.9 . . . . 0.0 114.276 174.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -156.58 -178.77 7.59 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 126.151 1.781 . . . . 0.0 111.441 178.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -163.72 165.76 22.86 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.877 1.671 . . . . 0.0 112.209 169.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? . . . . . 0 C--O 1.253 1.258 0 C-N-CA 126.796 2.038 . . . . 0.0 111.191 176.918 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 151' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.738 1 C3'-C2'-C1' 106.524 5.582 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 152' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.267 1 P-O3'-C3' 125.422 4.768 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.792 3 N19-C1'-C2' 124.48 6.925 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.475 2 O4'-C1'-N19 113.849 5.649 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.7 mmt . . . . . 0 N--CA 1.487 1.42 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . 0.258 20.2 tt0 63.91 137.26 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 128.37 2.668 . . . . 0.0 114.501 -169.185 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -129.37 151.94 49.47 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 126.814 2.046 . . . . 0.0 108.323 -177.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -106.66 163.73 12.66 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.995 1.318 . . . . 0.0 111.174 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.667 HD22 ' HB3' ' A' ' 30' ' ' PHE . 15.9 tp -142.77 140.58 31.45 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 126.824 2.05 . . . . 0.0 110.759 173.213 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.4 mp -119.15 111.84 35.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 126.408 1.883 . . . . 0.0 108.92 173.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.593 HD21 HD21 ' A' ' 5' ' ' LEU . 68.9 mt -82.31 66.59 7.97 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 126.67 1.988 . . . . 0.0 111.549 172.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.428 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 41.1 t30 -65.53 74.1 0.06 Allowed 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 115.263 1.579 . . . . 0.0 115.263 -178.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.444 ' HA2' ' HB2' ' A' ' 56' ' ' GLU . . . -92.26 169.25 31.71 Favored Glycine 0 CA--C 1.526 0.735 0 O-C-N 120.962 -1.086 . . . . 0.0 114.467 171.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.8 tptt -53.73 -54.58 36.05 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.233 1.013 . . . . 0.0 112.834 -169.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.0 p -124.83 -26.25 3.8 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.785 1.234 . . . . 0.0 113.626 -177.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.564 HD23 ' H ' ' A' ' 12' ' ' LEU . 2.3 pt? -90.43 -5.92 55.53 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 -170.5 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.63 148.32 0.1 Allowed 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 117.262 2.319 . . . . 0.0 117.262 -168.573 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.89 -161.11 16.83 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 116.648 1.419 . . . . 0.0 116.648 169.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -143.15 163.5 32.72 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.1 0.96 . . . . 0.0 112.551 -170.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.7 t -159.33 -177.39 6.41 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.568 1.547 . . . . 0.0 110.541 169.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 77.1 p -141.95 170.45 15.7 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 126.098 1.759 . . . . 0.0 110.347 173.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.662 HG21 HG11 ' A' ' 29' ' ' VAL . 5.3 t -157.59 151.36 24.12 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.154 0.982 . . . . 0.0 110.655 176.522 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -81.1 123.03 28.06 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 107.061 -1.459 . . . . 0.0 107.061 167.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.404 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -139.8 173.53 11.44 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.245 1.418 . . . . 0.0 112.272 178.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 97.0 t -78.03 -47.23 25.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 O-C-N 121.995 -0.44 . . . . 0.0 110.379 169.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.5 t70 178.75 -156.75 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 130.413 3.485 . . . . 0.0 106.236 178.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.52 -19.86 1.64 Allowed 'General case' 0 CA--C 1.547 0.831 0 O-C-N 120.011 -1.681 . . . . 0.0 114.535 169.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.22 -10.4 31.47 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.252 1.021 . . . . 0.0 113.654 172.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.404 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 53.7 m -137.5 -36.01 0.65 Allowed 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 126.105 1.762 . . . . 0.0 112.236 178.271 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.442 ' HA ' HG12 ' A' ' 29' ' ' VAL . . . -68.18 -34.91 77.16 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.988 1.315 . . . . 0.0 111.09 176.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -78.03 6.65 7.44 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 177.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.68 18.27 3.31 Favored 'General case' 0 N--CA 1.466 0.357 0 O-C-N 120.503 -1.373 . . . . 0.0 112.202 175.577 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.662 HG11 HG21 ' A' ' 18' ' ' THR . 6.1 p -123.77 -40.73 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 124.532 1.133 . . . . 0.0 111.941 177.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.667 ' HB3' HD22 ' A' ' 5' ' ' LEU . 22.7 m-85 -68.46 -27.5 66.22 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 123.887 0.875 . . . . 0.0 113.031 173.173 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -54.8 -29.01 53.49 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.394 1.478 . . . . 0.0 113.256 176.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -81.06 -53.12 6.69 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.503 0.721 . . . . 0.0 109.922 178.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -60.19 -42.48 95.17 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.26 1.024 . . . . 0.0 112.675 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.95 -52.03 67.19 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 123.803 0.841 . . . . 0.0 111.798 178.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -68.76 -17.64 64.07 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -85.02 -30.39 24.19 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.878 0.871 . . . . 0.0 112.828 175.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 56.4 m-80 -76.29 -38.34 56.25 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 168.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 123.88 -0.69 9.2 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 128.288 2.851 . . . . 0.0 115.126 169.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.3 t -75.16 147.13 8.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 CA-C-N 118.502 1.151 . . . . 0.0 110.599 175.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -164.3 73.42 0.26 Allowed 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 122.413 1.101 . . . . 0.0 111.935 168.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.58 ' H ' HG22 ' A' ' 54' ' ' VAL . . . -111.84 -140.36 8.07 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 125.218 1.389 . . . . 0.0 116.323 -177.265 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -73.93 90.11 1.92 Allowed 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.109 1.364 . . . . 0.0 112.166 -173.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 92.1 m95 -63.88 110.99 2.28 Favored 'General case' 0 C--O 1.235 0.295 0 O-C-N 120.767 -1.208 . . . . 0.0 109.875 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 60.4 m -132.56 163.09 29.64 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 127.851 2.461 . . . . 0.0 109.048 -168.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -157.59 167.41 30.22 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.113 1.365 . . . . 0.0 111.174 -169.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -139.89 163.82 31.62 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.879 1.272 . . . . 0.0 111.608 174.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.439 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -124.73 2.71 8.2 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 114.87 1.433 . . . . 0.0 114.87 -178.523 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -98.36 -31.14 12.18 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.378 1.471 . . . . 0.0 111.435 170.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.6 t -127.43 0.85 6.29 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.404 1.081 . . . . 0.0 113.744 178.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.439 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 2.9 mmpt? 52.29 42.4 30.9 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.035 1.334 . . . . 0.0 113.421 168.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.7 m -119.49 112.93 19.99 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 126.08 1.752 . . . . 0.0 109.164 -171.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -65.32 159.88 22.97 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.194 0.998 . . . . 0.0 111.487 169.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 36.3 m -146.49 150.72 36.13 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 125.508 1.523 . . . . 0.0 108.001 169.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.58 HG22 ' H ' ' A' ' 41' ' ' GLY . 11.1 p -142.47 79.18 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 125.336 1.454 . . . . 0.0 109.732 177.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.428 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 10.3 m -67.2 107.63 2.41 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.51 177.224 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.444 ' HB2' ' HA2' ' A' ' 9' ' ' GLY . 21.6 tt0 -42.53 131.35 3.85 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.897 1.679 . . . . 0.0 113.795 -172.219 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -58.23 -15.96 25.06 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 125.297 1.427 . . . . 0.0 116.05 -169.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.0 m -58.73 -23.71 60.25 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.096 1.358 . . . . 0.0 113.52 169.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -149.55 -179.73 7.32 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.515 1.526 . . . . 0.0 113.215 -175.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -140.22 151.31 45.08 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.812 2.045 . . . . 0.0 108.306 169.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 25.0 m-70 -133.07 -11.08 2.95 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 115.645 1.72 . . . . 0.0 115.645 -169.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -79.35 -41.53 27.67 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 120.359 1.436 . . . . 0.0 112.156 175.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -133.78 21.2 3.87 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 126.437 1.895 . . . . 0.0 111.756 177.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 18.8 m80 53.37 9.08 0.14 Allowed 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 118.723 2.86 . . . . 0.0 118.723 169.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 40.9 tpp -26.15 -66.02 0.06 Allowed 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 128.054 2.542 . . . . 0.0 115.169 -169.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 27.8 t-80 -90.2 93.15 9.24 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 167.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -34.79 111.53 0.12 Allowed 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 127.172 2.189 . . . . 0.0 114.166 -168.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -66.95 -17.43 64.91 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 114.133 1.16 . . . . 0.0 114.133 177.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 39.7 t -152.43 -62.74 0.16 Allowed 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.748 1.219 . . . . 0.0 111.783 170.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.611 ' H ' ' CD ' ' A' ' 71' ' ' PRO . 26.5 p -162.33 -2.12 0.0 OUTLIER Pre-proline 0 CA--C 1.564 1.49 0 N-CA-C 119.519 3.155 . . . . 0.0 119.519 -171.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.611 ' CD ' ' H ' ' A' ' 70' ' ' CYS . 96.3 Cg_exo -50.25 162.25 0.89 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 CA-C-N 124.285 2.566 . . . . 0.0 116.846 179.389 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 17.9 tp -121.81 4.59 9.99 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 125.563 1.545 . . . . 0.0 113.171 176.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -58.51 -9.14 1.47 Allowed 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 116.499 2.037 . . . . 0.0 116.499 -178.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 9.5 p -65.6 -29.89 70.55 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 120.204 -1.56 . . . . 0.0 112.879 169.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 61.7 mttm -87.18 170.11 11.76 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.193 1.397 . . . . 0.0 112.445 -177.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -139.72 146.79 24.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 125.171 1.388 . . . . 0.0 110.565 -179.411 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -102.57 150.56 23.29 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 126.947 2.099 . . . . 0.0 111.08 -173.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.551 HG13 ' HB3' ' A' ' 113' ' ' ALA . 0.7 OUTLIER -147.0 125.98 4.3 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.193 0 O-C-N 122.203 -0.31 . . . . 0.0 110.301 169.543 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.467 ' HA2' ' HA ' ' A' ' 112' ' ' PHE . . . -152.2 -170.47 18.81 Favored Glycine 0 N--CA 1.469 0.9 0 N-CA-C 115.97 1.148 . . . . 0.0 115.97 -179.104 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 40.69 56.05 2.88 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.28 1.432 . . . . 0.0 110.94 -169.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 31.5 tp -110.42 -44.77 3.65 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.299 1.439 . . . . 0.0 114.799 -168.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 147.73 -178.65 25.19 Favored Glycine 0 CA--C 1.534 1.229 0 CA-C-N 119.233 0.924 . . . . 0.0 115.256 176.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -62.38 -33.58 75.02 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.559 1.544 . . . . 0.0 114.63 -177.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 43.0 m-20 -83.95 69.37 10.28 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.584 -0.698 . . . . 0.0 111.707 -169.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -67.87 70.28 0.29 Allowed Glycine 0 CA--C 1.531 1.077 0 C-N-CA 126.319 1.914 . . . . 0.0 113.336 175.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -133.28 139.6 47.0 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.2 1.8 . . . . 0.0 109.629 173.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.5 ptmm? -71.24 -28.34 64.11 Favored 'General case' 0 C--O 1.22 -0.456 0 N-CA-C 115.508 1.67 . . . . 0.0 115.508 -175.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 21.4 m -46.34 -57.08 4.94 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 115.785 1.772 . . . . 0.0 115.785 -168.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -78.25 -40.86 35.9 Favored 'General case' 0 CA--C 1.531 0.224 0 O-C-N 121.066 -1.021 . . . . 0.0 111.512 -175.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.414 HD12 ' N ' ' A' ' 91' ' ' GLU . 3.3 pp -63.77 -32.13 73.54 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.638 1.108 . . . . 0.0 111.847 176.478 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.414 ' N ' HD12 ' A' ' 90' ' ' LEU . 27.5 tt0 -62.6 -46.5 87.99 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 125.165 1.386 . . . . 0.0 111.588 174.394 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -34.84 78.79 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 119.259 0.936 . . . . 0.0 112.518 169.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.34 -48.07 81.46 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 119.306 0.957 . . . . 0.0 111.403 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.562 ' CD2' HG11 ' A' ' 115' ' ' VAL . 19.3 m-85 -64.02 -62.9 1.33 Allowed 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 125.299 1.439 . . . . 0.0 111.61 173.443 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -55.73 -22.7 34.12 Favored Glycine 0 CA--C 1.547 2.033 0 N-CA-C 115.781 1.072 . . . . 0.0 115.781 -178.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -55.44 -52.37 63.83 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.708 1.603 . . . . 0.0 112.992 169.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -68.64 -40.38 80.3 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.659 0.784 . . . . 0.0 111.198 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -170.22 162.94 36.24 Favored Glycine 0 N--CA 1.477 1.387 0 CA-C-O 118.659 -1.078 . . . . 0.0 113.382 169.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -70.63 134.61 26.53 Favored 'Trans proline' 0 CA--C 1.534 0.501 0 CA-C-N 121.143 2.471 . . . . 0.0 114.51 -169.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.532 HD13 ' CG2' ' A' ' 103' ' ' VAL . 22.8 mt -80.46 153.16 28.37 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.535 1.934 . . . . 0.0 112.985 176.473 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -94.68 -43.01 8.47 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 126.403 1.881 . . . . 0.0 110.384 168.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 10.7 t -158.24 157.24 32.21 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.157 0.983 . . . . 0.0 111.972 -178.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.532 ' CG2' HD13 ' A' ' 100' ' ' LEU . 98.0 t -142.58 136.94 28.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 126.078 1.751 . . . . 0.0 109.213 178.249 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 86.2 t90 -142.8 146.42 34.2 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 125.4 1.48 . . . . 0.0 111.674 -178.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.415 HG12 ' HB1' ' A' ' 113' ' ' ALA . 3.5 m -143.39 149.97 17.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 124.427 1.091 . . . . 0.0 108.101 169.161 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.57 127.47 31.65 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.66 -0.65 . . . . 0.0 112.507 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.84 24.8 0.07 Allowed 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 126.513 1.925 . . . . 0.0 113.609 170.43 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -138.89 -162.46 0.05 OUTLIER Pre-proline 0 CA--C 1.563 1.464 0 C-N-CA 128.166 2.586 . . . . 0.0 108.528 -169.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_exo -43.17 119.3 1.59 Allowed 'Trans proline' 0 CA--C 1.55 1.321 0 C-N-CA 123.41 2.74 . . . . 0.0 114.405 177.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -80.63 169.88 16.35 Favored 'Trans proline' 0 CA--C 1.54 0.795 0 C-N-CA 123.61 2.873 . . . . 0.0 113.473 -170.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 140.52 -19.44 2.8 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 125.229 1.395 . . . . 0.0 114.158 173.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.467 ' HA ' ' HA2' ' A' ' 79' ' ' GLY . 0.0 OUTLIER -142.45 169.54 17.38 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 126.085 1.754 . . . . 0.0 111.986 -172.655 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.551 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -167.99 174.72 7.17 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 125.534 1.534 . . . . 0.0 111.656 -168.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -145.03 152.11 39.61 Favored 'General case' 0 N--CA 1.483 1.177 0 O-C-N 121.366 -0.834 . . . . 0.0 113.228 173.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.562 HG11 ' CD2' ' A' ' 94' ' ' PHE . 34.9 m -141.97 170.46 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 124.265 1.026 . . . . 0.0 113.183 175.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 60.7 tt0 -143.44 132.97 23.55 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.577 1.151 . . . . 0.0 109.267 169.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -104.05 155.68 18.49 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.48 1.512 . . . . 0.0 111.982 178.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -72.88 -20.17 61.15 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 175.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -139.19 131.44 15.37 Favored Pre-proline 0 CA--C 1.549 0.905 0 C-N-CA 124.438 1.095 . . . . 0.0 111.771 -172.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -78.53 -23.96 8.01 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 123.019 2.479 . . . . 0.0 114.863 -173.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -76.83 -33.76 57.92 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 120.683 1.583 . . . . 0.0 111.446 173.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -70.13 -39.12 75.6 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.515 0.726 . . . . 0.0 110.424 172.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.19 -41.68 93.43 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 122.841 0.457 . . . . 0.0 111.695 169.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.85 -43.69 92.21 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 119.338 0.972 . . . . 0.0 112.827 176.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -59.29 -44.16 92.53 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.784 -0.573 . . . . 0.0 111.266 172.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.62 -53.59 52.32 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.378 0.671 . . . . 0.0 110.099 178.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 41.0 t -49.03 -45.45 16.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 125.437 1.495 . . . . 0.0 111.714 174.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.71 -29.35 56.21 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 120.121 1.328 . . . . 0.0 114.449 -178.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -93.05 0.3 57.3 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 119.421 1.01 . . . . 0.0 112.895 176.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.444 HD13 ' CE1' ' A' ' 94' ' ' PHE . 89.3 mt -117.28 -29.56 5.84 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 126.133 1.773 . . . . 0.0 113.076 177.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -70.13 119.17 13.93 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.648 1.113 . . . . 0.0 112.209 175.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 77.5 41.09 21.33 Favored Glycine 0 CA--C 1.533 1.161 0 N-CA-C 115.422 0.929 . . . . 0.0 115.422 169.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.22 10.81 1.01 Allowed 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 118.639 2.829 . . . . 0.0 118.639 -168.642 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 90.3 m 65.41 129.9 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 127.243 2.217 . . . . 0.0 114.166 -178.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 6.1 tp -153.91 2.34 0.25 Allowed 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 113.399 0.889 . . . . 0.0 113.399 -176.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 34.9 t -158.08 -49.59 0.06 Allowed 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 127.994 2.517 . . . . 0.0 106.662 173.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 164.04 41.96 0.02 OUTLIER Glycine 0 CA--C 1.531 1.072 0 N-CA-C 116.408 1.323 . . . . 0.0 116.408 168.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 2.4 t -154.41 -160.64 1.1 Allowed 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 124.808 1.243 . . . . 0.0 111.002 -175.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.81 8.73 40.02 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.735 -1.228 . . . . 0.0 114.196 -170.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 3.5 t 32.77 67.55 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 128.059 2.544 . . . . 0.0 112.144 169.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.24 111.08 16.28 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 121.232 -0.918 . . . . 0.0 109.329 -178.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 78.3 t -124.4 129.67 73.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 124.773 1.229 . . . . 0.0 109.767 -168.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -145.77 165.91 27.44 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.201 0.6 . . . . 0.0 111.684 -172.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -75.44 140.86 43.15 Favored 'General case' 0 CA--C 1.547 0.849 0 O-C-N 120.793 -1.192 . . . . 0.0 108.534 169.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 7.7 m -57.03 115.05 2.39 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 118.966 0.803 . . . . 0.0 112.477 -177.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -75.24 56.58 0.82 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 127.144 2.177 . . . . 0.0 112.753 -174.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -126.0 30.2 4.42 Favored Glycine 0 CA--C 1.532 1.105 0 C-N-CA 127.077 2.275 . . . . 0.0 111.632 173.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.37 -157.54 0.07 Allowed 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 126.031 1.732 . . . . 0.0 112.092 169.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -112.27 143.86 42.64 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.976 1.71 . . . . 0.0 111.069 -177.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.168 0 C-N-CA 125.664 1.585 . . . . 0.0 112.742 -168.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 151' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.389 0 C3'-C2'-C1' 104.759 3.621 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 152' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.956 3 O4'-C1'-C2' 98.72 -5.486 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.749 3 N19-C1'-C2' 123.204 6.128 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.357 2 O4'-C1'-N19 116.01 7.81 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.4 tpt . . . . . 0 N--CA 1.483 1.205 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -87.02 140.07 29.94 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 120.727 -1.233 . . . . 0.0 112.356 176.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.492 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 96.1 m-85 -127.86 150.98 49.61 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 127.204 2.202 . . . . 0.0 108.969 -177.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -106.07 164.43 11.99 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.754 1.221 . . . . 0.0 111.469 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.529 HD11 ' CD2' ' A' ' 7' ' ' LEU . 1.0 OUTLIER -147.61 137.23 22.67 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 127.309 2.244 . . . . 0.0 110.489 177.42 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.6 mp -116.44 112.42 39.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 126.557 1.943 . . . . 0.0 110.612 172.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.529 ' CD2' HD11 ' A' ' 5' ' ' LEU . 85.8 mt -80.17 70.86 6.88 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.632 1.973 . . . . 0.0 110.679 171.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -64.36 60.26 0.02 OUTLIER 'General case' 0 CA--C 1.561 1.379 0 C-N-CA 127.153 2.181 . . . . 0.0 114.92 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.93 160.73 19.4 Favored Glycine 0 CA--C 1.532 1.116 0 O-C-N 119.58 -1.95 . . . . 0.0 114.682 -177.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -19.73 -74.31 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 129.652 3.181 . . . . 0.0 114.716 -170.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.9 m -133.35 -12.3 2.76 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.334 1.454 . . . . 0.0 111.425 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.613 ' H ' HD23 ' A' ' 12' ' ' LEU . 2.2 pt? -89.52 -1.15 57.94 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.283 1.833 . . . . 0.0 114.504 -173.249 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -32.04 147.79 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 127.633 2.373 . . . . 0.0 116.974 -169.057 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -159.9 -165.37 16.68 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 115.947 1.139 . . . . 0.0 115.947 171.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -155.34 168.2 27.86 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.881 1.672 . . . . 0.0 111.194 178.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.5 t -162.05 -174.21 4.02 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.135 1.774 . . . . 0.0 109.698 171.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.4 p -138.72 172.66 12.54 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 125.836 1.654 . . . . 0.0 110.325 171.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.0 t -155.58 161.66 40.81 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.038 0.935 . . . . 0.0 110.611 170.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -91.64 120.31 32.3 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.943 0.897 . . . . 0.0 108.83 169.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -143.33 175.97 9.51 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.322 1.849 . . . . 0.0 112.22 -173.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.9 p -80.13 -42.27 21.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 O-C-N 121.104 -0.997 . . . . 0.0 110.853 169.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.492 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 4.0 t70 174.08 -159.34 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 131.226 3.81 . . . . 0.0 107.018 -178.381 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.06 -25.02 1.81 Allowed 'General case' 0 CA--C 1.545 0.754 0 O-C-N 120.456 -1.403 . . . . 0.0 114.232 171.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.03 1.65 3.33 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.524 1.13 . . . . 0.0 113.695 174.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.8 m -143.07 -36.79 0.37 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.563 1.545 . . . . 0.0 111.976 171.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.67 -38.71 92.16 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.786 1.234 . . . . 0.0 110.845 175.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -74.09 2.53 8.69 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 114.476 1.287 . . . . 0.0 114.476 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.99 17.0 5.12 Favored 'General case' 0 N--CA 1.464 0.261 0 O-C-N 120.416 -1.428 . . . . 0.0 111.722 174.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.9 t -118.37 -51.37 4.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 125.19 1.396 . . . . 0.0 110.182 178.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -62.91 -26.1 68.63 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 178.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -55.0 -32.3 61.69 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.836 1.254 . . . . 0.0 112.484 175.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -79.04 -50.91 10.32 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.227 0.611 . . . . 0.0 110.712 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -60.01 -41.26 91.77 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 124.313 1.045 . . . . 0.0 112.399 177.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.01 -48.73 80.53 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.513 0.725 . . . . 0.0 111.64 177.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -67.22 -23.05 65.69 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 177.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -79.34 -31.51 43.05 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 174.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -78.18 -32.49 50.14 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 168.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 110.34 3.7 29.15 Favored Glycine 0 CA--C 1.534 1.246 0 C-N-CA 128.819 3.104 . . . . 0.0 114.537 172.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 47.5 t -79.24 145.9 8.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 124.125 0.97 . . . . 0.0 110.839 175.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -163.1 51.78 0.17 Allowed 'General case' 0 CA--C 1.551 1.0 0 CA-C-O 122.64 1.21 . . . . 0.0 112.738 169.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.18 -149.2 4.8 Favored Glycine 0 CA--C 1.539 1.546 0 C-N-CA 125.911 1.719 . . . . 0.0 116.219 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.42 ' HG2' ' HB ' ' A' ' 55' ' ' THR . 6.4 pt-20 -71.96 95.13 1.53 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.405 1.082 . . . . 0.0 111.78 -178.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 82.4 m95 -60.75 128.14 35.1 Favored 'General case' 0 C--O 1.233 0.193 0 O-C-N 120.992 -1.067 . . . . 0.0 110.206 178.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.8 161.89 36.13 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 126.007 1.723 . . . . 0.0 110.032 -170.298 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -151.54 167.39 28.21 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.064 1.346 . . . . 0.0 110.29 178.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -139.68 128.25 23.02 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 125.056 1.343 . . . . 0.0 108.416 171.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.544 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 5.9 m-20 -87.8 -2.22 58.47 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 115.087 1.514 . . . . 0.0 115.087 -174.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -106.71 -30.67 8.82 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.406 1.482 . . . . 0.0 112.358 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.2 t -111.74 2.44 17.18 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.031 0.932 . . . . 0.0 112.679 172.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.544 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 4.4 mmpt? 51.43 40.49 26.77 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 126.043 1.737 . . . . 0.0 112.817 169.337 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 52.0 m -123.92 111.08 15.62 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.012 1.325 . . . . 0.0 109.293 -170.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -66.17 162.62 19.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 122.767 1.27 . . . . 0.0 111.652 170.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 29.9 m -147.73 160.48 42.66 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 125.404 1.482 . . . . 0.0 107.432 169.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.49 ' CG1' HD23 ' A' ' 7' ' ' LEU . 13.9 p -147.01 85.04 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 124.652 1.181 . . . . 0.0 109.112 173.493 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.42 ' HB ' ' HG2' ' A' ' 42' ' ' GLU . 96.9 m -83.35 101.65 11.47 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 122.464 1.126 . . . . 0.0 111.358 -171.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -95.89 -27.25 15.27 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 127.056 2.142 . . . . 0.0 112.002 177.023 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -145.51 -22.83 0.12 Allowed Glycine 0 CA--C 1.531 1.087 0 N-CA-C 116.137 1.215 . . . . 0.0 116.137 -174.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.5 m -74.77 21.22 0.11 Allowed 'General case' 0 N--CA 1.486 1.352 0 CA-C-N 120.79 2.295 . . . . 0.0 113.581 170.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -59.69 -52.84 63.76 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 117.485 2.402 . . . . 0.0 117.485 -167.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -144.13 -7.31 0.72 Allowed 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 116.766 2.136 . . . . 0.0 116.766 -169.419 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -158.11 -176.93 6.19 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.099 1.36 . . . . 0.0 111.029 175.108 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.4 m80 -68.64 32.17 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 127.777 2.431 . . . . 0.0 114.704 -176.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -54.14 -6.48 0.1 Allowed 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 128.764 2.826 . . . . 0.0 116.173 -169.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -56.11 -25.11 44.55 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.709 1.604 . . . . 0.0 115.02 171.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 27.4 ptt? -135.73 -172.52 3.12 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.333 1.053 . . . . 0.0 110.933 173.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 19.3 m80 -121.37 50.9 1.33 Allowed 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.295 1.438 . . . . 0.0 109.922 -174.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -159.5 119.69 3.06 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 128.708 2.803 . . . . 0.0 107.665 -169.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 51.21 23.16 1.53 Allowed 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 125.549 1.54 . . . . 0.0 114.931 -174.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 77.3 p -120.54 -3.56 9.86 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.131 1.772 . . . . 0.0 114.049 -169.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 3.6 m -156.7 168.56 12.19 Favored Pre-proline 0 CA--C 1.552 1.028 0 C-N-CA 129.878 3.271 . . . . 0.0 107.12 170.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -60.38 17.17 0.04 OUTLIER 'Trans proline' 0 CA--C 1.553 1.435 0 C-N-CA 125.158 3.905 . . . . 0.0 118.092 175.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 72.7 mt -43.01 -43.72 4.36 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 128.53 2.732 . . . . 0.0 115.774 -169.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.0 p30 -129.42 22.93 5.53 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.731 1.613 . . . . 0.0 112.814 174.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 73.6 m -77.06 12.35 1.45 Allowed 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 124.756 1.222 . . . . 0.0 111.893 168.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -67.23 72.42 0.11 Allowed 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 127.974 2.51 . . . . 0.0 110.993 169.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 90.5 t -51.17 129.78 10.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 C-N-CA 125.377 1.471 . . . . 0.0 110.049 172.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -89.52 152.63 21.33 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 124.097 0.959 . . . . 0.0 109.366 171.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.475 HG13 ' HB3' ' A' ' 113' ' ' ALA . 0.2 OUTLIER -147.9 141.34 19.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.78 0.8 . . . . 0.0 109.864 169.814 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -139.88 71.88 0.43 Allowed Glycine 0 N--CA 1.469 0.871 0 N-CA-C 110.689 -0.965 . . . . 0.0 110.689 175.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 -60.96 150.98 31.64 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 126.724 2.01 . . . . 0.0 113.321 -170.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.6 tt 57.83 -48.12 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 129.773 3.229 . . . . 0.0 115.859 -175.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 161.49 -36.87 0.4 Allowed Glycine 0 CA--C 1.527 0.844 0 C-N-CA 125.683 1.611 . . . . 0.0 111.41 -179.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -158.22 78.62 0.81 Allowed 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.971 1.308 . . . . 0.0 109.576 171.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -150.39 167.11 28.04 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 175.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -160.93 82.27 0.14 Allowed Glycine 0 CA--C 1.528 0.884 0 C-N-CA 125.897 1.713 . . . . 0.0 112.516 -169.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -135.72 143.81 45.55 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.77 1.628 . . . . 0.0 108.27 168.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.2 ptmm? -79.9 -35.88 37.29 Favored 'General case' 0 C--O 1.22 -0.453 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 -175.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 42.7 m -37.68 -67.42 0.19 Allowed 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 126.234 1.813 . . . . 0.0 115.0 -169.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.79 -55.79 20.43 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.732 0.813 . . . . 0.0 109.617 -175.123 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.1 pp -64.36 -33.12 75.11 Favored 'General case' 0 C--O 1.22 -0.48 0 O-C-N 123.437 0.461 . . . . 0.0 111.504 -172.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -63.3 -49.93 72.06 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 125.271 1.428 . . . . 0.0 110.804 178.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.98 -34.69 78.31 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 118.89 -1.124 . . . . 0.0 112.296 170.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.67 -38.36 89.08 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.706 0.802 . . . . 0.0 112.598 -177.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.517 ' CD2' HG11 ' A' ' 115' ' ' VAL . 14.3 m-85 -74.07 -61.04 1.99 Allowed 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 124.807 1.243 . . . . 0.0 110.73 175.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.27 -19.82 48.01 Favored Glycine 0 CA--C 1.545 1.944 0 N-CA-C 115.466 0.946 . . . . 0.0 115.466 -178.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -54.31 -45.77 72.66 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.805 1.642 . . . . 0.0 113.006 168.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -71.12 -42.48 69.19 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 118.527 0.603 . . . . 0.0 110.416 174.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -179.88 160.54 25.7 Favored Glycine 0 N--CA 1.475 1.265 0 CA-C-O 118.728 -1.04 . . . . 0.0 114.667 169.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.31 125.89 19.89 Favored 'Trans proline' 0 N--CA 1.46 -0.482 0 CA-C-N 120.73 2.265 . . . . 0.0 116.166 -169.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.555 HD13 ' CG2' ' A' ' 103' ' ' VAL . 16.3 mt -66.69 142.12 57.53 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 113.243 -1.799 . . . . 0.0 111.207 169.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? -91.53 -36.53 13.66 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.583 1.153 . . . . 0.0 110.876 169.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 28.1 m -150.56 152.12 33.64 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.84 1.256 . . . . 0.0 111.493 174.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.555 ' CG2' HD13 ' A' ' 100' ' ' LEU . 71.0 t -139.13 128.79 30.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 125.629 1.572 . . . . 0.0 107.219 169.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 79.1 t90 -139.99 143.94 36.73 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 124.872 1.269 . . . . 0.0 110.375 177.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.498 HG12 ' HB1' ' A' ' 113' ' ' ALA . 1.3 m -138.69 151.96 24.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 O-C-N 121.223 -0.923 . . . . 0.0 109.163 169.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.595 ' HB1' ' C2 ' ' B' ' 153' ' ' ' U' . . . -78.71 172.52 13.6 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -170.04 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.83 -34.49 2.38 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 114.884 1.439 . . . . 0.0 114.884 -173.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -73.88 132.61 80.04 Favored Pre-proline 0 CA--C 1.544 0.731 0 N-CA-C 105.511 -2.033 . . . . 0.0 105.511 167.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -2.74 73.61 0.0 OUTLIER 'Trans proline' 0 CA--C 1.544 1.006 1 C-N-CA 128.077 5.851 . . . . 0.0 116.99 -168.867 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -74.34 105.75 2.1 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 123.452 2.768 . . . . 0.0 113.579 -168.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -85.87 -1.09 87.24 Favored Glycine 0 CA--C 1.536 1.394 0 CA-C-N 115.647 -0.706 . . . . 0.0 113.386 169.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -148.8 177.99 9.05 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 125.651 1.581 . . . . 0.0 113.794 -169.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.498 ' HB1' HG12 ' A' ' 105' ' ' VAL . . . -149.12 175.83 11.01 Favored 'General case' 0 CA--C 1.558 1.252 0 C-N-CA 130.319 3.448 . . . . 0.0 110.389 177.381 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -147.4 149.12 32.12 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.899 1.28 . . . . 0.0 111.755 173.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.517 HG11 ' CD2' ' A' ' 94' ' ' PHE . 13.5 m -140.3 173.1 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 CA-C-O 122.345 1.069 . . . . 0.0 113.137 173.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 -146.66 145.82 30.17 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 127.305 2.242 . . . . 0.0 107.101 176.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.449 ' HB2' ' HB2' ' A' ' 123' ' ' ALA . 22.0 m-85 -122.54 149.3 44.11 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.223 1.009 . . . . 0.0 111.167 -175.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -85.22 -3.84 58.95 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -176.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -144.92 126.1 7.67 Favored Pre-proline 0 CA--C 1.548 0.901 0 C-N-CA 124.681 1.192 . . . . 0.0 110.764 171.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -68.51 -23.81 36.9 Favored 'Trans proline' 0 CA--C 1.538 0.68 0 C-N-CA 123.383 2.722 . . . . 0.0 113.982 -176.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 22.2 ttp-105 -59.84 -50.31 74.28 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 120.021 1.282 . . . . 0.0 109.947 170.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -74.59 -33.2 62.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.048 -175.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.449 ' HB2' ' HB2' ' A' ' 117' ' ' PHE . . . -58.61 -46.69 86.5 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.51 0.724 . . . . 0.0 110.99 169.446 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.34 -45.69 79.36 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.336 0.654 . . . . 0.0 111.576 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.21 -32.67 73.05 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 118.938 0.79 . . . . 0.0 112.549 178.463 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.81 -54.75 38.04 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 121.787 -0.571 . . . . 0.0 110.105 169.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 46.6 t -52.78 -40.83 36.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.684 1.193 . . . . 0.0 112.077 174.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 23.8 ttp180 -59.25 -34.73 72.58 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 126.699 2.0 . . . . 0.0 112.762 177.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -118.85 12.82 13.03 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 124.817 1.247 . . . . 0.0 113.961 -170.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.41 HD13 ' CE1' ' A' ' 94' ' ' PHE . 33.7 mt -120.6 -22.35 6.41 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 114.896 1.443 . . . . 0.0 114.896 -178.416 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -78.17 145.15 35.78 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 120.173 1.351 . . . . 0.0 113.972 -177.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 60.14 -35.56 0.04 OUTLIER Glycine 0 CA--C 1.526 0.739 1 C-N-CA 130.857 4.075 . . . . 0.0 122.513 168.14 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 34.7 ptt180 -71.4 -37.46 71.52 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 -168.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.8 m 154.33 143.41 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 129.973 3.309 . . . . 0.0 109.947 -178.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 46.7 tp -140.25 -61.76 0.51 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.673 1.189 . . . . 0.0 108.095 167.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 91.9 m -87.64 -23.73 24.15 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 169.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 152.24 0.25 0.25 Allowed Glycine 0 CA--C 1.541 1.665 0 N-CA-C 117.686 1.834 . . . . 0.0 117.686 175.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 10.5 t -152.89 -160.85 1.19 Allowed 'General case' 0 CA--C 1.554 1.118 0 CA-C-N 119.437 1.618 . . . . 0.0 110.936 -176.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -63.6 79.38 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 127.039 2.136 . . . . 0.0 113.037 -176.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 2.1 p -67.15 127.37 28.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 126.883 2.073 . . . . 0.0 107.497 169.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 56.8 mtt85 -99.2 140.61 33.11 Favored 'General case' 0 CA--C 1.513 -0.463 0 O-C-N 121.433 -0.792 . . . . 0.0 109.027 170.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 69.8 t -145.31 118.23 2.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 169.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -139.3 -160.16 1.03 Allowed 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.869 1.268 . . . . 0.0 108.764 -176.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -151.72 145.69 25.21 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 119.778 -1.826 . . . . 0.0 114.911 169.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 6.6 t 21.67 45.94 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 131.434 3.893 . . . . 0.0 119.156 168.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -132.77 80.34 1.89 Allowed 'General case' 0 CA--C 1.545 0.755 0 O-C-N 120.301 -1.499 . . . . 0.0 112.906 -176.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -177.54 36.08 0.08 OUTLIER Glycine 0 CA--C 1.532 1.14 0 C-N-CA 125.61 1.576 . . . . 0.0 112.126 169.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 88.56 -142.3 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 129.173 2.989 . . . . 0.0 107.68 -167.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . 0.322 1.1 mptt 58.79 36.69 24.89 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 127.151 2.18 . . . . 0.0 114.192 171.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.113 1 C-N-CA 131.839 4.055 . . . . 0.0 114.553 168.344 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 151' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.135 1 C3'-C2'-C1' 105.29 4.211 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 152' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.998 3 O4'-C1'-N19 112.935 4.735 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 153' ' ' ' U' . . . . . 0.595 ' C2 ' ' HB1' ' A' ' 106' ' ' ALA . . . . . . . . 0 C5'--C4' 1.548 2.889 1 N19-C1'-C2' 121.686 5.179 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.365 3 O4'-C1'-N19 115.577 7.377 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.8 tpt . . . . . 0 N--CA 1.484 1.273 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -84.63 141.35 30.71 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 119.924 1.238 . . . . 0.0 111.399 174.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.497 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 80.5 m-85 -126.02 154.63 42.7 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 127.209 2.203 . . . . 0.0 108.472 -179.616 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -106.67 163.74 12.66 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.596 1.158 . . . . 0.0 111.167 178.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.614 HD22 ' HB3' ' A' ' 30' ' ' PHE . 12.4 tp -143.96 139.19 28.96 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 127.114 2.166 . . . . 0.0 109.663 172.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.6 mp -117.37 110.13 30.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 125.71 1.604 . . . . 0.0 108.725 173.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.597 HD21 HD21 ' A' ' 5' ' ' LEU . 54.1 mt -79.54 73.26 6.22 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.304 1.042 . . . . 0.0 109.234 169.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -63.29 51.17 0.02 OUTLIER 'General case' 0 CA--C 1.56 1.346 0 C-N-CA 125.917 1.687 . . . . 0.0 113.432 173.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -79.45 70.91 2.75 Favored Glycine 0 C--N 1.335 0.494 0 O-C-N 119.435 -2.041 . . . . 0.0 113.083 -177.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 31.98 -92.14 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 129.114 2.966 . . . . 0.0 114.383 176.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 32.3 p -81.96 -20.85 37.72 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 114.869 1.433 . . . . 0.0 114.869 -175.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.07 -41.59 6.38 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 119.897 1.226 . . . . 0.0 113.438 -169.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 15.56 155.06 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.91 2 C-N-CA 134.518 5.127 . . . . 0.0 122.129 -169.034 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.83 -163.06 21.09 Favored Glycine 0 CA--C 1.533 1.203 0 N-CA-C 116.456 1.342 . . . . 0.0 116.456 169.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -160.24 162.71 33.76 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 126.536 1.934 . . . . 0.0 111.994 178.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.8 t -158.72 -174.43 4.77 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.56 1.944 . . . . 0.0 110.443 174.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.7 p -142.07 172.71 12.32 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.65 1.58 . . . . 0.0 110.926 173.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.0 t -160.99 151.02 17.46 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.75 0.82 . . . . 0.0 111.612 173.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.8 tp10 -75.27 121.87 22.83 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 106.674 -1.602 . . . . 0.0 106.674 166.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -138.59 176.12 8.97 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.854 1.662 . . . . 0.0 111.996 176.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.3 p -85.5 -32.53 7.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 O-C-N 121.375 -0.828 . . . . 0.0 112.496 169.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.497 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 1.6 t70 169.04 -159.0 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.051 1 C-N-CA 131.823 4.049 . . . . 0.0 107.657 176.439 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.97 -22.92 1.73 Allowed 'General case' 0 CA--C 1.547 0.839 0 O-C-N 120.599 -1.313 . . . . 0.0 114.064 169.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.84 -5.36 16.2 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.549 1.14 . . . . 0.0 113.729 174.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.5 m -136.6 -36.47 0.7 Allowed 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.754 1.621 . . . . 0.0 112.36 173.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.49 -38.43 90.98 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.866 1.267 . . . . 0.0 110.902 176.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -74.38 3.64 7.12 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 178.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.413 ' HE3' HG23 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -133.04 18.44 4.11 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 120.307 -1.496 . . . . 0.0 111.828 174.912 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.413 HG23 ' HE3' ' A' ' 28' ' ' LYS . 3.9 t -120.34 -51.39 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 125.202 1.401 . . . . 0.0 110.039 178.021 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.614 ' HB3' HD22 ' A' ' 5' ' ' LEU . 23.4 m-85 -61.81 -27.67 68.93 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 177.569 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -54.53 -30.56 54.1 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.239 1.416 . . . . 0.0 113.057 176.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -80.61 -50.47 9.93 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.552 0.741 . . . . 0.0 110.582 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -62.18 -42.04 98.9 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 124.261 1.024 . . . . 0.0 112.531 178.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.15 -49.57 76.52 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 123.802 0.841 . . . . 0.0 112.021 178.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -69.95 -17.79 63.33 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 178.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -82.49 -30.87 29.61 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 119.161 0.891 . . . . 0.0 113.159 173.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -78.42 -33.15 48.81 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 168.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.11 5.35 23.4 Favored Glycine 0 CA--C 1.533 1.217 0 C-N-CA 128.388 2.899 . . . . 0.0 114.774 170.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.5 t -78.77 146.64 7.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 124.035 0.934 . . . . 0.0 111.216 175.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -163.27 52.66 0.17 Allowed 'General case' 0 CA--C 1.548 0.895 0 CA-C-O 122.39 1.091 . . . . 0.0 112.032 169.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.64 -148.53 4.84 Favored Glycine 0 CA--C 1.541 1.664 0 C-N-CA 125.812 1.672 . . . . 0.0 115.568 177.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -69.11 88.64 0.42 Allowed 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.353 1.861 . . . . 0.0 112.613 176.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 80.8 m95 -57.08 122.79 13.2 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 124.246 1.018 . . . . 0.0 110.138 175.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.07 164.08 28.45 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 126.651 1.98 . . . . 0.0 110.563 -170.117 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -151.91 156.95 41.12 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.949 1.3 . . . . 0.0 110.392 176.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -129.12 122.57 30.16 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 125.412 1.485 . . . . 0.0 107.934 171.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.487 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.7 OUTLIER -84.31 -8.4 59.02 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 -173.838 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -99.64 -29.07 12.88 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.257 1.423 . . . . 0.0 112.022 -177.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.0 t -112.97 2.86 15.94 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.419 0.688 . . . . 0.0 112.794 171.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.487 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 4.3 mmpt? 54.36 40.2 31.56 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.048 1.739 . . . . 0.0 112.431 169.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 58.1 m -123.46 108.07 12.27 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 124.914 1.285 . . . . 0.0 109.719 -169.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -62.92 161.51 12.77 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 122.507 1.146 . . . . 0.0 110.762 168.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 21.5 m -147.01 161.21 41.27 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 169.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.7 p -149.68 77.84 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 C-N-CA 125.253 1.421 . . . . 0.0 108.61 172.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 91.1 m -76.89 116.94 18.01 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.861 -176.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.24 59.69 1.82 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.398 -1.439 . . . . 0.0 110.755 169.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -66.33 -47.26 72.41 Favored Glycine 0 CA--C 1.528 0.88 0 C-N-CA 125.387 1.47 . . . . 0.0 112.663 -172.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 38.9 p -171.54 33.72 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.77 2.028 . . . . 0.0 110.903 -175.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 48.6 m80 -122.63 -4.36 8.73 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 116.59 2.071 . . . . 0.0 116.59 -167.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -136.92 -44.52 0.58 Allowed 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 119.911 1.232 . . . . 0.0 113.606 171.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 19.5 p-80 -78.05 18.98 0.45 Allowed 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.398 1.479 . . . . 0.0 113.995 173.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -136.72 141.91 43.07 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 126.362 1.865 . . . . 0.0 111.034 -177.324 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -159.85 152.22 20.95 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.731 1.613 . . . . 0.0 111.047 169.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -153.4 150.84 29.26 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.989 1.716 . . . . 0.0 110.361 173.508 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 22.8 mmt -123.35 -6.11 8.24 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 115.296 1.591 . . . . 0.0 115.296 -168.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -141.99 -6.15 0.98 Allowed 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.18 0.992 . . . . 0.0 113.474 -171.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.3 mmm180 -138.51 125.97 21.87 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.962 1.305 . . . . 0.0 110.123 -170.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.5 p-10 -84.92 58.03 4.76 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.439 1.496 . . . . 0.0 111.647 175.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.6 m -59.83 86.75 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 127.477 2.311 . . . . 0.0 113.26 -176.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 99.6 m -63.73 154.38 80.69 Favored Pre-proline 0 CA--C 1.555 1.172 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 -175.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -59.1 29.95 0.04 OUTLIER 'Trans proline' 0 CA--C 1.554 1.511 1 C-N-CA 126.901 5.067 . . . . 0.0 118.607 173.547 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.8 pp -140.39 158.1 44.52 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.027 1.731 . . . . 0.0 111.901 -176.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -69.72 154.83 41.43 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 123.842 0.857 . . . . 0.0 112.823 -174.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 28.0 p -111.68 8.9 20.93 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.122 1.769 . . . . 0.0 113.193 178.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 42.6 mttp -61.97 135.68 57.65 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.006 0.922 . . . . 0.0 110.442 168.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 39.8 t -127.38 139.5 51.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.849 1.26 . . . . 0.0 110.044 -175.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -91.85 148.77 21.98 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 126.62 1.968 . . . . 0.0 110.352 170.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.51 HG13 ' HB3' ' A' ' 113' ' ' ALA . 0.8 OUTLIER -152.45 150.12 13.11 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 CA-C-O 122.276 1.036 . . . . 0.0 113.393 172.41 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -141.02 155.82 25.22 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 125.863 1.697 . . . . 0.0 111.193 168.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -143.93 -168.2 2.79 Favored 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -167.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.0 tt -38.59 -57.91 1.11 Allowed 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 126.389 1.876 . . . . 0.0 112.975 -174.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 136.78 145.97 5.08 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 125.539 1.542 . . . . 0.0 112.878 173.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 42.79 44.24 3.75 Favored 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 126.118 1.767 . . . . 0.0 113.867 -176.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -135.51 6.88 3.28 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 125.691 1.596 . . . . 0.0 113.626 -176.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -42.83 89.3 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 C-N-CA 129.223 3.297 . . . . 0.0 116.142 -174.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -142.72 134.81 27.26 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.561 1.944 . . . . 0.0 108.201 170.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.0 ptmm? -62.48 -26.71 68.68 Favored 'General case' 0 C--O 1.22 -0.491 0 N-CA-C 115.184 1.55 . . . . 0.0 115.184 -176.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 83.0 m -46.72 -54.64 9.25 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 115.488 1.662 . . . . 0.0 115.488 -169.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -72.25 -48.93 38.96 Favored 'General case' 0 CA--C 1.531 0.242 0 O-C-N 121.344 -0.847 . . . . 0.0 111.69 -177.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.0 pp -62.22 -33.58 74.84 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.425 -0.797 . . . . 0.0 111.877 178.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -62.82 -45.69 91.46 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 125.578 1.551 . . . . 0.0 112.504 176.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.08 -41.81 94.68 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 119.527 1.058 . . . . 0.0 111.061 170.252 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.99 -43.31 99.04 Favored 'General case' 0 C--O 1.223 -0.334 0 C-N-CA 123.713 0.805 . . . . 0.0 111.705 -176.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.572 ' CD2' HG21 ' A' ' 115' ' ' VAL . 13.8 m-85 -68.28 -63.97 0.95 Allowed 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 125.643 1.577 . . . . 0.0 112.051 173.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.93 -18.43 47.15 Favored Glycine 0 CA--C 1.545 1.945 0 N-CA-C 115.248 0.859 . . . . 0.0 115.248 -174.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -54.85 -51.8 64.79 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.276 1.831 . . . . 0.0 112.861 168.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -68.03 -41.05 82.72 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.376 0.671 . . . . 0.0 111.052 177.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -170.75 156.88 27.54 Favored Glycine 0 N--CA 1.473 1.126 0 CA-C-O 118.374 -1.237 . . . . 0.0 113.338 170.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -63.05 146.49 94.59 Favored 'Trans proline' 0 CA--C 1.536 0.603 0 CA-C-N 121.134 2.467 . . . . 0.0 113.632 -169.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.537 HD13 ' CG2' ' A' ' 103' ' ' VAL . 14.9 mt -92.09 164.62 13.53 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.432 1.893 . . . . 0.0 112.056 -177.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 30.5 mtm105 -127.01 -21.26 4.01 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.924 1.29 . . . . 0.0 113.773 169.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 16.2 m -154.36 148.42 25.76 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.398 1.479 . . . . 0.0 110.792 169.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.537 ' CG2' HD13 ' A' ' 100' ' ' LEU . 17.5 t -144.23 130.76 16.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 125.365 1.466 . . . . 0.0 107.758 175.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 70.2 t90 -139.97 139.1 36.0 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 124.544 1.137 . . . . 0.0 110.297 -170.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.448 HG12 ' HB1' ' A' ' 113' ' ' ALA . 3.3 m -135.98 144.52 33.15 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 169.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.489 ' HB1' ' C2 ' ' B' ' 153' ' ' ' U' . . . -78.1 157.37 29.52 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 -168.445 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 35.6 ptt85 -88.97 4.71 47.23 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 125.758 1.623 . . . . 0.0 114.73 -175.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -146.06 163.46 30.49 Favored Pre-proline 0 CA--C 1.561 1.389 0 C-N-CA 128.753 2.821 . . . . 0.0 107.322 174.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . 0.273 0.1 OUTLIER 30.54 61.95 0.0 OUTLIER 'Trans proline' 0 CA--C 1.549 1.239 0 C-N-CA 123.935 3.09 . . . . 0.0 117.27 -167.048 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -73.63 60.61 4.31 Favored 'Trans proline' 0 CA--C 1.547 1.154 1 C-N-CA 125.625 4.217 . . . . 0.0 113.863 -173.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -133.06 11.57 5.08 Favored Glycine 0 CA--C 1.539 1.587 0 C-N-CA 125.941 1.734 . . . . 0.0 112.797 169.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -147.27 154.62 41.2 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 128.2 2.6 . . . . 0.0 107.998 -169.635 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.51 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -165.58 176.78 7.84 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.85 1.26 . . . . 0.0 114.397 -166.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -147.54 170.79 16.7 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 177.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.572 HG21 ' CD2' ' A' ' 94' ' ' PHE . 1.5 t -158.05 164.95 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 C-N-CA 126.457 1.903 . . . . 0.0 112.676 -170.522 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -146.93 123.57 11.15 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 126.58 1.952 . . . . 0.0 108.872 165.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.404 ' CZ ' ' HB3' ' A' ' 94' ' ' PHE . 24.0 m-85 -89.64 169.63 11.16 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 113.966 1.098 . . . . 0.0 113.966 -176.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -57.78 -42.29 83.78 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 120.926 -1.108 . . . . 0.0 111.609 169.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -140.71 138.72 18.78 Favored Pre-proline 0 CA--C 1.55 0.966 0 C-N-CA 123.755 0.822 . . . . 0.0 112.959 -170.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_exo -53.31 -35.14 73.45 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 124.605 3.536 . . . . 0.0 115.467 175.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 3.2 ttp85 -62.82 -40.8 98.52 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 119.292 0.951 . . . . 0.0 111.228 175.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -74.3 -37.56 63.62 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 118.72 -0.657 . . . . 0.0 111.948 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.43 -45.77 90.61 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.029 0.831 . . . . 0.0 111.823 169.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.58 -45.33 87.46 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.388 0.675 . . . . 0.0 112.054 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -70.13 -33.51 71.92 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.191 0.996 . . . . 0.0 112.699 178.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.27 -54.02 39.86 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.309 0.644 . . . . 0.0 110.276 169.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 39.5 t -49.59 -48.51 20.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 124.449 1.1 . . . . 0.0 111.458 173.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 54.9 ttp85 -57.35 -40.01 77.14 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.749 1.62 . . . . 0.0 113.238 -179.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -102.96 -14.23 16.58 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -173.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.414 ' HB3' HG21 ' A' ' 142' ' ' VAL . 45.0 mt -86.79 -42.25 13.45 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 125.422 1.489 . . . . 0.0 112.986 172.511 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -61.6 137.42 58.24 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -169.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 63.23 6.57 14.49 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 125.603 1.573 . . . . 0.0 116.319 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 4.7 mmt-85 -84.23 -77.97 0.25 Allowed 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 119.723 1.761 . . . . 0.0 112.437 -176.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.7 m 164.79 145.41 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 130.096 3.359 . . . . 0.0 109.95 177.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 14.2 mt -158.2 145.34 17.92 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 128.925 2.89 . . . . 0.0 105.126 168.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . 0.259 34.2 m 65.53 -48.55 0.38 Allowed 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 126.62 1.968 . . . . 0.0 111.978 -168.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 126.27 56.78 0.15 Allowed Glycine 0 C--N 1.347 1.16 0 N-CA-C 118.989 2.355 . . . . 0.0 118.989 166.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 49.0 t -154.7 -50.02 0.09 Allowed 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.687 0.795 . . . . 0.0 110.222 169.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.8 163.98 31.77 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 127.566 2.346 . . . . 0.0 109.897 174.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 3.5 p -143.43 149.82 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 124.334 1.054 . . . . 0.0 111.264 171.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.428 HH11 ' HG2' ' A' ' 141' ' ' ARG . 0.0 OUTLIER -124.67 134.29 52.93 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 126.909 2.084 . . . . 0.0 105.83 168.636 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.414 HG21 ' HB3' ' A' ' 130' ' ' LEU . 97.5 t -145.45 129.12 11.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 170.091 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -142.23 169.54 17.39 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 119.781 1.173 . . . . 0.0 111.772 -178.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -79.41 134.01 36.56 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 120.427 -1.42 . . . . 0.0 108.235 169.351 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 8.0 m -53.9 114.97 1.77 Allowed 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.01 0.924 . . . . 0.0 112.882 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 29.7 m-80 -140.94 -57.8 0.51 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.965 1.706 . . . . 0.0 111.375 -178.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 150.41 167.3 14.3 Favored Glycine 0 CA--C 1.538 1.515 0 N-CA-C 115.659 1.024 . . . . 0.0 115.659 172.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 57.28 167.87 0.04 OUTLIER 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 128.884 2.874 . . . . 0.0 116.451 177.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.49 113.79 23.29 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 126.093 1.757 . . . . 0.0 109.931 171.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.254 1.331 0 C-N-CA 126.688 1.995 . . . . 0.0 112.233 -169.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 151' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.167 2 C3'-C2'-C1' 105.912 4.902 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 152' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.07 2 P-O3'-C3' 126.448 5.624 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 153' ' ' ' U' . . . . . 0.489 ' C2 ' ' HB1' ' A' ' 106' ' ' ALA . . . . . . . . 0 C5'--C4' 1.546 2.741 2 N19-C1'-C2' 124.036 6.647 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.889 2 P-O3'-C3' 127.708 6.673 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.273 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -89.45 141.85 28.19 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 120.692 -1.255 . . . . 0.0 112.591 -173.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -122.46 150.59 42.29 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 127.198 2.199 . . . . 0.0 108.614 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -100.82 163.38 12.34 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.265 1.026 . . . . 0.0 111.275 177.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.533 HD11 ' CD2' ' A' ' 7' ' ' LEU . 1.1 tm? -144.6 137.39 26.69 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 127.218 2.207 . . . . 0.0 109.594 174.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.3 mp -115.44 111.49 35.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 126.22 1.808 . . . . 0.0 108.736 172.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.533 ' CD2' HD11 ' A' ' 5' ' ' LEU . 89.9 mt -79.52 74.5 6.16 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 124.507 1.123 . . . . 0.0 108.255 169.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -61.97 50.51 0.01 OUTLIER 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 126.453 1.901 . . . . 0.0 113.702 174.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -78.52 54.2 4.02 Favored Glycine 0 C--O 1.225 -0.406 0 O-C-N 119.148 -2.22 . . . . 0.0 114.014 178.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.5 pttt 44.86 -47.46 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.96 1 C-N-CA 131.858 4.063 . . . . 0.0 120.903 168.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.7 m -124.48 -30.92 3.31 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 128.14 2.576 . . . . 0.0 110.62 -173.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.42 -3.78 17.92 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.931 1.692 . . . . 0.0 114.198 -175.367 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -34.35 149.97 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 118.073 2.62 . . . . 0.0 118.073 -167.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -157.25 -161.31 10.74 Favored Glycine 0 CA--C 1.532 1.099 0 N-CA-C 116.963 1.545 . . . . 0.0 116.963 169.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -150.05 165.56 32.37 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 125.261 1.425 . . . . 0.0 112.216 -174.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.8 t -162.15 -175.6 4.68 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 126.254 1.822 . . . . 0.0 110.614 169.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 74.6 p -140.08 169.45 17.67 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 126.005 1.722 . . . . 0.0 110.691 172.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.629 HG21 HG11 ' A' ' 29' ' ' VAL . 5.5 t -155.67 142.7 19.11 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.316 -0.865 . . . . 0.0 111.033 177.154 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -76.28 108.32 9.14 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 169.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.528 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -131.77 174.19 10.39 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.281 1.432 . . . . 0.0 113.569 -176.539 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 84.2 t -81.05 -47.3 20.24 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 O-C-N 121.288 -0.882 . . . . 0.0 110.548 169.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.8 t70 178.88 -156.92 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 130.626 3.57 . . . . 0.0 106.405 178.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.43 -19.78 1.53 Allowed 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 120.917 1.69 . . . . 0.0 114.658 170.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.0 -8.85 25.34 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.336 1.054 . . . . 0.0 113.488 172.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.528 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 43.2 m -138.99 -36.25 0.54 Allowed 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 126.425 1.89 . . . . 0.0 112.054 -179.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.416 ' HA ' HG12 ' A' ' 29' ' ' VAL . . . -70.7 -36.85 73.46 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.26 1.424 . . . . 0.0 111.076 177.345 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -76.1 4.76 7.86 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 120.522 -1.361 . . . . 0.0 114.422 179.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.63 20.29 3.33 Favored 'General case' 0 N--CA 1.463 0.223 0 O-C-N 120.441 -1.412 . . . . 0.0 111.811 176.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.629 HG11 HG21 ' A' ' 18' ' ' THR . 4.3 p -125.12 -40.24 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 124.297 1.039 . . . . 0.0 112.216 176.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.48 ' CZ ' HG22 ' A' ' 18' ' ' THR . 24.0 m-85 -68.85 -27.5 65.88 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 124.381 1.072 . . . . 0.0 113.053 173.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -55.41 -31.61 61.99 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.096 1.358 . . . . 0.0 113.068 176.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -79.42 -49.91 11.62 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.054 0.942 . . . . 0.0 110.671 179.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -61.54 -41.8 97.88 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.66 1.184 . . . . 0.0 112.552 178.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.07 -49.64 76.22 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 123.982 0.913 . . . . 0.0 111.645 177.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -67.99 -19.38 64.93 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 177.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -82.95 -29.57 28.98 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 119.176 0.898 . . . . 0.0 113.241 173.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 54.3 m-80 -78.94 -33.89 44.97 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 168.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.0 4.21 24.33 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 128.728 3.061 . . . . 0.0 114.54 171.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 39.3 t -80.5 145.58 8.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.011 0.924 . . . . 0.0 110.645 174.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -162.56 52.09 0.19 Allowed 'General case' 0 CA--C 1.552 1.044 0 CA-C-O 122.51 1.148 . . . . 0.0 112.425 169.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.88 -147.48 3.1 Favored Glycine 0 CA--C 1.545 1.916 0 C-N-CA 126.16 1.838 . . . . 0.0 116.282 177.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -72.63 98.5 2.36 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.739 1.215 . . . . 0.0 112.491 -178.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 85.1 m95 -64.04 121.06 13.23 Favored 'General case' 0 N--CA 1.466 0.332 0 O-C-N 120.294 -1.504 . . . . 0.0 110.337 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.33 161.66 31.85 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 126.858 2.063 . . . . 0.0 110.458 -172.255 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -156.59 165.84 35.13 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.617 1.167 . . . . 0.0 111.403 -178.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -137.56 158.9 43.39 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 126.218 1.807 . . . . 0.0 110.825 -178.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.407 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.3 OUTLIER -127.77 30.5 5.29 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 -179.225 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -131.51 -33.43 1.45 Allowed 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.558 1.943 . . . . 0.0 112.619 176.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.6 t -122.24 -3.47 8.98 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 127.595 2.358 . . . . 0.0 112.585 172.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.407 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 3.2 mmpt? 56.98 46.04 20.14 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.581 1.552 . . . . 0.0 112.688 168.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 53.4 m -120.64 110.13 16.05 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 125.803 1.641 . . . . 0.0 109.616 -170.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -64.44 161.99 16.02 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.083 0.953 . . . . 0.0 111.47 169.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 22.5 m -147.15 159.88 43.1 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 125.43 1.492 . . . . 0.0 108.278 170.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.434 ' CG1' HD23 ' A' ' 7' ' ' LEU . 12.6 p -149.84 82.64 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 C-N-CA 124.609 1.164 . . . . 0.0 111.189 174.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 33.1 m -80.6 108.99 14.7 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.578 0.751 . . . . 0.0 112.075 -174.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.68 140.09 58.83 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.603 0.761 . . . . 0.0 110.697 171.317 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -144.55 18.41 2.04 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 124.943 1.259 . . . . 0.0 114.892 -171.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 43.9 m -72.98 36.88 0.08 Allowed 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 126.454 1.902 . . . . 0.0 113.624 175.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.465 ' CG ' ' H ' ' A' ' 60' ' ' HIS 0.278 0.0 OUTLIER 32.78 -115.66 0.06 Allowed 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 128.317 2.647 . . . . 0.0 114.717 -175.278 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.465 ' H ' ' CG ' ' A' ' 59' ' ' HIS . 22.7 m80 -63.18 -22.91 67.17 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.495 1.918 . . . . 0.0 115.882 -173.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 37.1 m170 -67.63 126.63 29.95 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.775 0.83 . . . . 0.0 112.488 -169.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -135.05 -91.74 0.31 Allowed 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.38 1.072 . . . . 0.0 110.672 177.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 19.1 m170 -110.98 -5.48 14.83 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.653 1.581 . . . . 0.0 111.528 172.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 45.7 t60 -151.74 178.46 9.34 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 129.216 3.006 . . . . 0.0 108.079 169.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 25.4 ttt -62.86 -41.45 99.37 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.162 -0.961 . . . . 0.0 113.026 179.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -164.5 157.3 17.04 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.768 1.627 . . . . 0.0 111.084 173.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.11 168.31 21.93 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 126.878 2.071 . . . . 0.0 109.988 169.012 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -70.88 -45.28 64.67 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.794 1.238 . . . . 0.0 112.294 169.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.7 m -161.82 -174.71 4.3 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 128.056 2.542 . . . . 0.0 110.297 174.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 61.5 m -51.62 -40.99 74.88 Favored Pre-proline 0 CA--C 1.555 1.159 0 N-CA-C 117.671 2.471 . . . . 0.0 117.671 179.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -69.63 171.03 15.06 Favored 'Trans proline' 0 C--N 1.357 1.001 0 C-N-CA 122.347 2.031 . . . . 0.0 113.219 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.4 mp -59.11 -25.83 64.16 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.347 1.059 . . . . 0.0 112.83 178.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -158.44 151.51 22.68 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.577 1.951 . . . . 0.0 109.588 169.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 5.5 t -129.84 10.5 5.52 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.058 1.343 . . . . 0.0 112.946 178.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.0 mtmm -109.82 -176.97 3.14 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.571 1.548 . . . . 0.0 112.544 -170.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.607 ' HB ' HG13 ' A' ' 115' ' ' VAL . 6.7 t -133.44 157.34 42.46 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 C-N-CA 127.906 2.482 . . . . 0.0 109.501 -170.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -126.14 146.27 50.01 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 127.567 2.347 . . . . 0.0 110.405 -176.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.492 HG13 ' HB3' ' A' ' 113' ' ' ALA . 2.0 p -145.78 138.78 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-O 122.239 1.019 . . . . 0.0 111.561 169.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -151.21 -160.49 9.47 Favored Glycine 0 N--CA 1.467 0.705 0 C-N-CA 123.739 0.685 . . . . 0.0 112.65 169.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 13.3 m-20 53.29 43.76 31.04 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.564 1.145 . . . . 0.0 111.882 -169.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.6 tp -103.16 11.35 37.13 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 126.948 2.099 . . . . 0.0 111.895 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 79.93 -60.98 4.38 Favored Glycine 0 CA--C 1.528 0.878 0 C-N-CA 126.382 1.944 . . . . 0.0 114.042 171.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -158.25 -31.66 0.07 Allowed 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 114.829 1.418 . . . . 0.0 114.829 -178.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -65.69 153.15 42.5 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 120.526 1.512 . . . . 0.0 113.576 -170.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -161.96 50.69 0.33 Allowed Glycine 0 N--CA 1.47 0.942 0 C-N-CA 126.2 1.857 . . . . 0.0 111.46 -175.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -129.21 13.32 6.14 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.991 1.716 . . . . 0.0 113.045 -171.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.279 9.7 ptmm? 49.38 -21.31 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 131.547 3.939 . . . . 0.0 120.276 -177.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 82.8 m -49.67 -59.14 4.07 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 121.817 2.099 . . . . 0.0 113.935 -170.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.27 -55.52 17.95 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 -175.06 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.478 HD12 ' N ' ' A' ' 91' ' ' GLU . 3.3 pp -63.22 -34.39 77.54 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 123.432 0.458 . . . . 0.0 112.052 -174.205 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.478 ' N ' HD12 ' A' ' 90' ' ' LEU . 25.3 tt0 -65.03 -47.86 75.91 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 124.053 0.941 . . . . 0.0 111.311 179.462 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.84 -32.07 70.28 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 119.585 -0.846 . . . . 0.0 112.391 172.467 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.51 -44.3 96.7 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.819 0.848 . . . . 0.0 111.466 178.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.647 ' CZ ' HG11 ' A' ' 115' ' ' VAL . 12.0 m-85 -64.14 -66.47 0.54 Allowed 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 125.404 1.482 . . . . 0.0 111.277 172.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' A' ' 98' ' ' GLY . . . -52.87 -24.47 19.61 Favored Glycine 0 CA--C 1.547 2.08 0 N-CA-C 116.363 1.305 . . . . 0.0 116.363 -178.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -55.47 -51.49 66.77 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 126.208 1.803 . . . . 0.0 113.614 169.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -68.47 -42.01 79.32 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.141 0.576 . . . . 0.0 110.959 178.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.401 ' O ' ' HA2' ' A' ' 95' ' ' GLY . . . -167.25 161.01 34.84 Favored Glycine 0 N--CA 1.473 1.163 0 CA-C-O 118.38 -1.233 . . . . 0.0 113.633 175.303 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -71.18 131.82 19.94 Favored 'Trans proline' 0 CA--C 1.533 0.463 0 CA-C-N 121.666 2.733 . . . . 0.0 113.58 -170.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.415 ' HA ' ' HA ' ' A' ' 117' ' ' PHE . 21.9 mt -71.37 162.17 29.87 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.401 1.88 . . . . 0.0 113.115 175.11 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 28.6 ttp180 -121.67 -29.03 4.44 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 126.116 1.766 . . . . 0.0 111.95 169.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.9 m -157.71 156.86 32.42 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.966 1.306 . . . . 0.0 111.907 169.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 83.6 t -142.62 138.27 28.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 125.613 1.565 . . . . 0.0 108.515 172.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.408 ' HH2' HO2' ' B' ' 153' ' ' ' U' . 91.3 t90 -137.01 149.72 47.66 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 125.336 1.454 . . . . 0.0 110.582 178.125 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 14.3 m -143.79 155.46 15.99 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 C-N-CA 125.124 1.37 . . . . 0.0 108.627 174.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.83 45.07 0.58 Allowed 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 115.73 1.752 . . . . 0.0 115.73 -169.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 49.89 -21.46 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.504 1 C-N-CA 131.97 4.108 . . . . 0.0 121.367 171.648 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -150.52 128.0 5.61 Favored Pre-proline 0 CA--C 1.547 0.845 0 C-N-CA 126.146 1.778 . . . . 0.0 108.719 -175.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . 0.273 0.4 OUTLIER -15.7 81.18 0.0 OUTLIER 'Trans proline' 0 CA--C 1.549 1.272 1 C-N-CA 127.91 5.74 . . . . 0.0 119.798 -168.454 . . . . . . . . 4 3 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -99.51 -32.37 0.03 OUTLIER 'Trans proline' 0 CA--C 1.543 0.957 0 C-N-CA 124.515 3.477 . . . . 0.0 114.475 -175.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 67.96 28.78 73.34 Favored Glycine 0 CA--C 1.541 1.703 0 C-N-CA 124.693 1.14 . . . . 0.0 113.158 -169.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -158.69 144.63 16.77 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 127.442 2.297 . . . . 0.0 109.858 -168.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.492 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -165.87 176.47 7.86 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 124.789 1.235 . . . . 0.0 113.767 -168.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -137.33 167.52 21.43 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 124.023 0.929 . . . . 0.0 112.925 174.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.647 HG11 ' CZ ' ' A' ' 94' ' ' PHE . 0.2 OUTLIER -156.69 158.27 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 C-N-CA 124.952 1.301 . . . . 0.0 111.648 -168.794 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 65.2 tt0 -144.24 134.14 23.9 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.699 1.6 . . . . 0.0 108.689 168.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.415 ' HA ' ' HA ' ' A' ' 100' ' ' LEU . 63.6 m-85 -104.21 162.92 12.78 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.903 0.881 . . . . 0.0 112.1 176.258 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -61.33 -27.12 68.27 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 177.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -140.77 128.02 12.1 Favored Pre-proline 0 CA--C 1.546 0.805 0 C-N-CA 126.302 1.841 . . . . 0.0 108.768 -177.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -49.67 -26.03 12.34 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 C-N-CA 123.891 3.061 . . . . 0.0 114.974 170.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -75.86 -30.25 58.83 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.469 1.107 . . . . 0.0 112.874 172.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -68.68 -44.99 72.85 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 119.518 1.054 . . . . 0.0 109.914 168.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.24 -43.82 83.3 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 171.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.04 -48.22 82.39 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.793 0.724 . . . . 0.0 112.173 -179.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.7 -30.69 63.01 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 119.483 1.038 . . . . 0.0 112.916 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.37 -50.75 70.33 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.772 -0.58 . . . . 0.0 111.221 170.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.447 HG22 HG12 ' A' ' 142' ' ' VAL . 53.2 t -55.12 -44.28 73.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 125.257 1.423 . . . . 0.0 110.868 171.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 44.0 ttp85 -60.61 -31.1 70.28 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.207 1.403 . . . . 0.0 113.188 -178.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -103.39 -22.14 13.71 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 115.097 1.517 . . . . 0.0 115.097 177.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 47.9 mt -81.68 -42.46 19.9 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 119.254 0.934 . . . . 0.0 112.619 175.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -62.2 116.92 5.39 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 -169.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 72.98 45.46 32.51 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 126.097 1.808 . . . . 0.0 115.044 176.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -118.45 -68.47 0.91 Allowed 'General case' 0 N--CA 1.488 1.439 0 CA-C-N 119.549 1.675 . . . . 0.0 114.475 -173.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 7.7 m 147.48 139.6 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.308 1 C-N-CA 132.53 4.332 . . . . 0.0 108.526 -175.342 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 2.1 tp -169.47 145.71 3.26 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 104.06 -2.571 . . . . 0.0 104.06 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 52.5 t 59.34 -62.88 0.04 OUTLIER 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 127.222 2.209 . . . . 0.0 111.703 -167.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 162.14 42.75 0.02 OUTLIER Glycine 0 CA--C 1.529 0.933 0 C-N-CA 125.333 1.444 . . . . 0.0 113.948 169.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 26.8 t -125.02 -104.0 0.36 Allowed 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.992 1.317 . . . . 0.0 109.834 -175.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -143.44 -23.3 0.6 Allowed 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 115.982 1.845 . . . . 0.0 115.982 169.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . 0.287 0.3 OUTLIER 55.74 111.66 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 C-N-CA 130.43 3.492 . . . . 0.0 111.909 -179.732 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.43 139.66 50.6 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 106.488 -1.671 . . . . 0.0 106.488 175.158 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.447 HG12 HG22 ' A' ' 127' ' ' VAL . 54.6 t -141.45 136.42 32.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 C-N-CA 122.912 0.485 . . . . 0.0 109.749 -168.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -139.79 176.92 8.33 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.092 0.957 . . . . 0.0 111.108 -178.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 58.9 mt -82.98 143.53 30.59 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 120.564 -1.335 . . . . 0.0 108.407 167.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 44.7 t -57.67 112.11 1.35 Allowed 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.193 0.997 . . . . 0.0 110.033 175.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -144.79 -2.05 0.85 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.316 1.446 . . . . 0.0 111.899 -172.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -100.62 -6.86 52.24 Favored Glycine 0 CA--C 1.535 1.312 0 C-N-CA 125.065 1.317 . . . . 0.0 113.651 173.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -54.34 145.94 16.8 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 118.624 1.212 . . . . 0.0 111.196 169.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 23.2 mtmm 100.77 58.21 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 129.691 3.197 . . . . 0.0 111.853 172.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.115 0 C-N-CA 127.23 2.212 . . . . 0.0 112.344 -176.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 151' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.627 1 C2'-C3'-O3' 124.127 4.688 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 152' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.426 2 P-O3'-C3' 127.368 6.39 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 153' ' ' ' U' . . . . . 0.408 HO2' ' HH2' ' A' ' 104' ' ' TRP . . . . . . . . 0 C5'--C4' 1.55 3.05 1 N19-C1'-C2' 124.693 7.058 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.435 1 O4'-C1'-N19 113.845 5.645 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.484 1.244 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -87.85 138.58 31.34 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 120.752 -1.218 . . . . 0.0 111.543 176.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.435 ' CD2' ' HB3' ' A' ' 20' ' ' ALA . 96.3 m-85 -125.82 156.39 39.62 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 127.183 2.193 . . . . 0.0 108.771 -177.71 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -111.26 161.94 15.5 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.787 1.235 . . . . 0.0 111.703 -177.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.441 HD11 ' HG ' ' A' ' 7' ' ' LEU . 1.6 tm? -147.44 135.79 21.64 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.338 1.855 . . . . 0.0 110.731 176.192 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mp -116.09 122.95 70.74 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 C-N-CA 126.232 1.813 . . . . 0.0 111.467 175.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.441 ' HG ' HD11 ' A' ' 5' ' ' LEU . 3.4 mp -97.99 58.22 1.34 Allowed 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 128.935 2.894 . . . . 0.0 110.877 -177.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -64.47 104.12 0.75 Allowed 'General case' 0 CA--C 1.545 0.768 0 O-C-N 120.59 -1.319 . . . . 0.0 112.715 -176.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -159.25 138.86 5.86 Favored Glycine 0 N--CA 1.47 0.961 0 O-C-N 121.189 -0.945 . . . . 0.0 112.76 173.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -50.87 -38.17 47.74 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.371 1.468 . . . . 0.0 114.659 -170.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.0 m -87.97 -28.35 21.51 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -177.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.2 pp -120.69 -15.1 8.48 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 117.796 2.517 . . . . 0.0 117.796 -166.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -16.94 130.13 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 128.504 2.722 . . . . 0.0 118.344 -167.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -177.39 -161.64 26.22 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 117.204 1.642 . . . . 0.0 117.204 169.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -158.58 158.3 33.64 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 126.694 1.997 . . . . 0.0 111.787 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.8 t -154.79 -175.51 5.46 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.975 1.71 . . . . 0.0 109.833 176.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 74.7 p -141.49 173.57 11.37 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.406 1.482 . . . . 0.0 110.573 174.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.595 HG21 HG11 ' A' ' 29' ' ' VAL . 5.1 t -157.9 150.47 22.56 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 121.197 -0.939 . . . . 0.0 111.046 177.135 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -81.22 121.39 26.09 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 167.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.641 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -143.4 173.19 11.83 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 126.225 1.81 . . . . 0.0 112.802 -176.491 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.2 t -79.3 -46.29 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 O-C-N 120.932 -1.105 . . . . 0.0 110.087 169.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.9 t70 177.52 -158.19 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 129.898 3.279 . . . . 0.0 106.626 -176.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.56 -20.62 3.1 Favored 'General case' 0 CA--C 1.547 0.84 0 O-C-N 119.981 -1.7 . . . . 0.0 113.933 169.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.73 -6.22 10.98 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.991 1.316 . . . . 0.0 113.78 173.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.641 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 23.3 m -140.09 -37.76 0.47 Allowed 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 126.098 1.759 . . . . 0.0 112.357 179.395 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.452 ' HA ' HG12 ' A' ' 29' ' ' VAL . . . -68.01 -37.55 81.57 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.037 1.335 . . . . 0.0 110.695 176.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.421 ' HG3' ' HE3' ' A' ' 31' ' ' LYS . 0.8 OUTLIER -74.95 5.63 4.94 Favored 'General case' 0 CA--C 1.552 1.048 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 178.236 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.51 11.62 4.1 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 125.724 1.61 . . . . 0.0 112.949 173.319 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.595 HG11 HG21 ' A' ' 18' ' ' THR . 4.9 p -118.48 -39.98 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 C-N-CA 124.254 1.021 . . . . 0.0 112.605 175.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.42 ' CZ ' HG22 ' A' ' 18' ' ' THR . 21.7 m-85 -65.87 -31.08 71.82 Favored 'General case' 0 C--O 1.224 -0.245 0 C-N-CA 123.882 0.873 . . . . 0.0 112.225 172.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.433 ' HD3' ' CZ2' ' A' ' 43' ' ' TRP . 11.8 mmtt -56.98 -28.47 62.36 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.162 0.985 . . . . 0.0 112.937 177.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -81.15 -49.89 10.28 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 118.45 0.568 . . . . 0.0 111.497 176.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -61.22 -40.78 95.27 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.453 1.101 . . . . 0.0 111.683 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.75 -49.43 76.61 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 125.539 1.536 . . . . 0.0 111.903 175.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -63.25 -25.01 68.13 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 177.29 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -80.33 -28.39 38.17 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 177.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 51.2 m-80 -80.45 -32.07 37.32 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 168.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.32 -0.97 18.86 Favored Glycine 0 CA--C 1.532 1.131 0 C-N-CA 128.689 3.043 . . . . 0.0 114.448 170.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.1 p -74.06 155.56 6.62 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 CA-C-N 118.477 1.138 . . . . 0.0 112.034 178.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -164.03 30.31 0.08 Allowed 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 125.874 1.67 . . . . 0.0 110.314 169.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.23 -154.45 0.01 OUTLIER Glycine 0 CA--C 1.546 2.0 0 C-N-CA 128.696 3.046 . . . . 0.0 118.21 178.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -66.77 90.59 0.17 Allowed 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.95 1.3 . . . . 0.0 111.85 -178.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.433 ' CZ2' ' HD3' ' A' ' 31' ' ' LYS . 78.7 m95 -65.79 110.08 2.69 Favored 'General case' 0 C--O 1.236 0.342 0 O-C-N 120.354 -1.466 . . . . 0.0 110.215 -178.244 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.93 162.28 25.57 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 126.294 1.838 . . . . 0.0 110.905 -171.495 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -151.86 164.21 37.57 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.498 1.119 . . . . 0.0 111.735 177.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -140.5 156.49 46.32 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.843 2.057 . . . . 0.0 109.854 -174.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.431 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.3 OUTLIER -126.86 1.02 6.67 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 -178.21 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -87.69 -30.05 20.66 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.443 1.097 . . . . 0.0 110.283 169.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.5 -8.76 4.13 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 -176.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.431 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 1.3 mmpt? 59.93 48.01 9.29 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.852 1.661 . . . . 0.0 112.475 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 73.2 m -120.57 113.75 20.72 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.076 0.951 . . . . 0.0 111.513 -174.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -66.86 160.88 25.14 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-O 122.275 1.036 . . . . 0.0 110.915 168.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.4 m -145.75 160.45 41.71 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.537 1.535 . . . . 0.0 107.96 169.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.1 p -151.29 68.98 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 C-N-CA 125.671 1.588 . . . . 0.0 110.572 -177.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.5 m -68.59 109.95 4.0 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.035 -1.041 . . . . 0.0 111.832 -177.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.23 152.39 43.37 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 -178.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -172.44 43.97 0.17 Allowed Glycine 0 CA--C 1.538 1.476 0 C-N-CA 127.31 2.386 . . . . 0.0 112.14 176.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 47.6 p 57.55 32.79 22.36 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 127.111 2.164 . . . . 0.0 114.196 -169.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -63.14 -31.43 72.57 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 115.95 1.833 . . . . 0.0 115.95 -169.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.587 ' CG ' ' H ' ' A' ' 61' ' ' HIS . 6.5 t-80 -149.02 -156.83 0.76 Allowed 'General case' 0 CA--C 1.555 1.151 0 CA-C-N 119.89 1.223 . . . . 0.0 113.665 -173.139 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.587 ' H ' ' CG ' ' A' ' 60' ' ' HIS . 6.9 p80 -29.5 -34.78 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 131.413 3.885 . . . . 0.0 120.038 -169.205 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.8 p80 -70.7 45.74 0.09 Allowed 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 126.615 1.966 . . . . 0.0 113.278 171.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -152.01 28.52 0.6 Allowed 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 126.513 1.925 . . . . 0.0 112.184 -170.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 39.8 m80 -96.71 132.14 42.68 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 120.533 -1.354 . . . . 0.0 112.326 -177.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 27.4 ptt? -72.05 0.53 9.25 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 126.552 1.941 . . . . 0.0 115.879 -178.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 50.4 m-70 -71.97 75.72 0.91 Allowed 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.08 1.752 . . . . 0.0 113.593 -172.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.06 13.47 0.54 Allowed 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 127.284 2.234 . . . . 0.0 115.641 -172.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -60.99 -73.27 0.1 Allowed 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 124.535 1.134 . . . . 0.0 112.818 177.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.5 t -163.93 179.23 7.16 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 125.971 1.708 . . . . 0.0 111.07 170.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 10.8 t -146.66 70.43 12.54 Favored Pre-proline 0 CA--C 1.55 0.957 0 O-C-N 120.769 -1.207 . . . . 0.0 112.188 171.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -70.65 11.89 0.46 Allowed 'Trans proline' 0 CA--C 1.548 1.186 0 C-N-CA 124.401 3.401 . . . . 0.0 114.585 -179.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 30.6 tp -82.56 -12.38 57.77 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.121 1.368 . . . . 0.0 112.099 169.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -144.32 171.41 14.36 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.326 1.45 . . . . 0.0 111.733 -177.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 7.6 p -145.17 -6.49 0.65 Allowed 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 127.341 2.257 . . . . 0.0 114.101 -169.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.4 mttp -65.2 130.06 41.97 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-N 119.295 0.952 . . . . 0.0 110.108 169.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.606 ' HB ' HG13 ' A' ' 115' ' ' VAL . 23.5 t -124.4 142.83 39.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 124.314 1.046 . . . . 0.0 110.01 -176.394 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -101.09 148.63 24.84 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 127.162 2.185 . . . . 0.0 109.859 170.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.466 HG13 ' HB3' ' A' ' 113' ' ' ALA . 1.1 p -148.29 144.41 18.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 O-C-N 121.409 -0.807 . . . . 0.0 111.704 171.049 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -170.74 -171.71 36.33 Favored Glycine 0 N--CA 1.47 0.903 0 N-CA-C 117.302 1.681 . . . . 0.0 117.302 173.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.2 t30 63.31 1.09 0.89 Allowed 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 127.827 2.451 . . . . 0.0 117.04 171.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.4 pp -63.4 7.5 0.1 Allowed 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 127.099 2.16 . . . . 0.0 115.369 169.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 108.07 -173.38 18.11 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 126.809 2.147 . . . . 0.0 111.773 -172.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -86.67 28.53 0.87 Allowed 'General case' 0 CA--C 1.549 0.913 0 O-C-N 121.482 -1.011 . . . . 0.0 113.043 170.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -75.19 58.55 0.93 Allowed 'General case' 0 CA--C 1.546 0.802 0 O-C-N 120.842 -1.161 . . . . 0.0 110.738 169.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -76.52 62.53 3.1 Favored Glycine 0 CA--C 1.528 0.846 0 C-N-CA 126.688 2.09 . . . . 0.0 112.821 -178.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -144.88 131.56 19.99 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 127.202 2.201 . . . . 0.0 107.438 179.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.48 -12.03 61.32 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 -170.56 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 85.6 m -52.13 -57.95 8.05 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 121.051 1.75 . . . . 0.0 114.981 -169.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -74.63 -46.03 40.93 Favored 'General case' 0 C--N 1.344 0.331 0 CA-C-N 119.817 1.19 . . . . 0.0 111.081 -178.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.404 HD12 ' N ' ' A' ' 91' ' ' GLU 0.262 3.0 pp -60.24 -35.27 75.1 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 119.844 1.202 . . . . 0.0 112.114 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.404 ' N ' HD12 ' A' ' 90' ' ' LEU . 44.3 tt0 -58.22 -52.87 63.78 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.397 1.079 . . . . 0.0 112.174 170.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.28 -37.17 86.55 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 119.742 1.155 . . . . 0.0 111.9 176.27 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.57 -43.6 93.35 Favored 'General case' 0 C--O 1.223 -0.328 0 C-N-CA 124.473 1.109 . . . . 0.0 111.678 -179.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.641 ' CZ ' HG11 ' A' ' 115' ' ' VAL . 9.7 m-85 -66.91 -63.86 0.97 Allowed 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 125.24 1.416 . . . . 0.0 111.758 173.699 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -57.23 -22.32 43.26 Favored Glycine 0 CA--C 1.545 1.958 0 N-CA-C 115.423 0.929 . . . . 0.0 115.423 -178.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -53.69 -52.07 61.21 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.732 1.613 . . . . 0.0 112.659 169.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -67.02 -46.29 74.93 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.285 0.634 . . . . 0.0 110.564 177.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -165.09 151.01 19.62 Favored Glycine 0 N--CA 1.473 1.117 0 CA-C-O 118.418 -1.212 . . . . 0.0 112.796 176.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -63.77 123.85 12.66 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 CA-C-N 120.894 2.347 . . . . 0.0 112.844 -169.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.428 HD13 ' CG2' ' A' ' 103' ' ' VAL . 18.3 mt -60.52 157.2 14.66 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 125.062 1.345 . . . . 0.0 112.857 173.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -118.72 -21.71 7.75 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.601 1.161 . . . . 0.0 112.303 169.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.0 m -160.97 150.17 16.77 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.295 1.838 . . . . 0.0 111.415 168.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.428 ' CG2' HD13 ' A' ' 100' ' ' LEU . 99.2 t -138.8 141.62 36.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 126.244 1.818 . . . . 0.0 108.499 173.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 87.4 t90 -146.46 142.57 28.25 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 124.546 1.139 . . . . 0.0 111.395 -173.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.426 HG12 ' HB1' ' A' ' 113' ' ' ALA . 1.9 m -138.21 142.32 35.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 N-CA-C 106.375 -1.713 . . . . 0.0 106.375 168.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -57.11 149.09 20.18 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 116.718 2.118 . . . . 0.0 116.718 -167.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.47 9.22 1.43 Allowed 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 125.671 1.588 . . . . 0.0 115.034 175.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -133.26 146.03 59.19 Favored Pre-proline 0 CA--C 1.545 0.773 0 C-N-CA 127.541 2.337 . . . . 0.0 108.446 175.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -12.93 79.9 0.0 OUTLIER 'Trans proline' 0 CA--C 1.546 1.097 1 C-N-CA 128.186 5.924 . . . . 0.0 117.165 -169.442 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -72.23 172.46 14.81 Favored 'Trans proline' 0 CA--C 1.542 0.881 0 C-N-CA 123.34 2.694 . . . . 0.0 115.294 -168.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 149.17 -24.8 1.26 Allowed Glycine 0 CA--C 1.54 1.619 0 C-N-CA 128.103 2.764 . . . . 0.0 110.212 -169.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -102.63 143.56 32.15 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 129.448 3.099 . . . . 0.0 106.118 168.261 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.466 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -161.05 177.34 10.41 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 115.531 1.678 . . . . 0.0 115.531 -166.048 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -145.42 169.09 19.01 Favored 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 178.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.641 HG11 ' CZ ' ' A' ' 94' ' ' PHE . 0.2 OUTLIER -157.36 153.53 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 125.926 1.691 . . . . 0.0 111.037 -171.398 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -138.39 122.97 18.54 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.758 1.623 . . . . 0.0 108.922 169.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -98.84 -10.65 22.65 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.259 1.024 . . . . 0.0 113.279 175.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 65.46 -40.1 0.3 Allowed 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 128.42 2.688 . . . . 0.0 114.696 -177.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -91.47 127.3 51.28 Favored Pre-proline 0 CA--C 1.549 0.912 0 C-N-CA 125.322 1.449 . . . . 0.0 110.595 174.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo -62.96 -31.42 77.0 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.117 2.545 . . . . 0.0 115.523 -179.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.4 -40.98 73.59 Favored 'General case' 0 N--CA 1.481 1.119 0 CA-C-N 120.776 1.625 . . . . 0.0 111.372 176.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -60.82 -49.19 78.46 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 122.668 0.387 . . . . 0.0 110.137 178.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.14 -40.52 96.34 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 171.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.431 ' HA ' HG12 ' A' ' 127' ' ' VAL . . . -58.77 -43.74 90.46 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 120.295 1.407 . . . . 0.0 112.326 -179.16 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -71.63 -35.77 70.52 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.338 -0.851 . . . . 0.0 111.201 176.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -74.64 1.27 12.59 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 172.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.431 HG12 ' HA ' ' A' ' 124' ' ' ALA . 0.4 OUTLIER -129.16 -1.9 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 O-C-N 120.179 -1.576 . . . . 0.0 112.389 178.228 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -122.09 4.6 9.83 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.961 1.705 . . . . 0.0 113.519 169.569 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -126.22 -30.01 2.95 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.411 1.085 . . . . 0.0 113.13 169.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 73.1 mt -76.11 -46.33 29.38 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 120.475 1.489 . . . . 0.0 111.21 168.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . 0.265 47.8 p30 11.64 -34.95 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.417 2 C-N-CA 135.14 5.376 . . . . 0.0 122.576 -170.415 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 167.26 25.68 0.02 OUTLIER Glycine 0 CA--C 1.536 1.348 0 C-N-CA 126.47 1.986 . . . . 0.0 114.393 177.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 34.9 mtt180 -78.42 -75.11 0.24 Allowed 'General case' 0 N--CA 1.482 1.125 0 CA-C-N 118.92 1.36 . . . . 0.0 112.712 -169.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 2.3 m -171.32 140.86 1.5 Allowed 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 127.907 2.483 . . . . 0.0 106.936 175.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 9.0 tp -165.22 141.42 5.52 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 105.338 -2.097 . . . . 0.0 105.338 -178.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 58.3 m 59.6 -48.74 0.08 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 127.383 2.273 . . . . 0.0 113.927 -168.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 150.98 31.85 0.04 OUTLIER Glycine 0 CA--C 1.529 0.952 0 C-N-CA 125.259 1.409 . . . . 0.0 115.726 168.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -139.42 178.92 6.85 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.247 1.019 . . . . 0.0 111.383 176.351 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.34 90.3 0.7 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.359 1.464 . . . . 0.0 108.6 176.717 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 9.1 p -75.41 165.59 3.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 124.179 0.991 . . . . 0.0 109.391 -175.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.486 HH11 ' HG2' ' A' ' 141' ' ' ARG . 0.0 OUTLIER -136.07 131.43 34.86 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 127.669 2.388 . . . . 0.0 106.181 169.742 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 61.6 t -138.31 109.96 5.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 169.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -122.07 155.27 36.02 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 120.98 -1.075 . . . . 0.0 110.356 -169.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 7.0 tt -74.11 131.28 41.15 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 120.417 -1.427 . . . . 0.0 107.614 169.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 24.0 t -55.38 154.06 6.6 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 -168.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 53.13 54.62 10.05 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 126.112 1.765 . . . . 0.0 112.926 175.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 84.66 1.74 88.99 Favored Glycine 0 CA--C 1.536 1.377 0 N-CA-C 116.286 1.275 . . . . 0.0 116.286 169.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 58.48 -46.5 0.06 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 128.802 2.841 . . . . 0.0 117.115 -173.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 18.2 mmtm -114.56 116.45 28.8 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 120.012 1.278 . . . . 0.0 109.678 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.037 0 C-N-CA 127.681 2.392 . . . . 0.0 110.028 -173.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 151' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.351 0 C3'-C2'-C1' 104.642 3.491 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 152' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.276 2 C4'-C3'-C2' 97.258 -5.442 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.225 5 N19-C1'-C2' 125.124 7.327 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.382 1 O4'-C1'-N19 114.198 5.998 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.484 1.271 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -86.15 141.25 29.51 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 120.837 -1.164 . . . . 0.0 111.38 173.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.42 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 94.3 m-85 -125.47 153.47 43.49 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 127.504 2.322 . . . . 0.0 108.422 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -106.6 162.89 13.35 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.792 1.237 . . . . 0.0 111.22 179.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.523 HD11 ' HG ' ' A' ' 7' ' ' LEU . 1.3 tm? -145.65 138.07 25.67 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.741 2.016 . . . . 0.0 110.339 174.65 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.4 mp -114.94 131.48 67.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 126.427 1.891 . . . . 0.0 110.275 173.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.523 ' HG ' HD11 ' A' ' 5' ' ' LEU . 3.2 mp -106.88 58.83 0.63 Allowed 'General case' 0 C--O 1.222 -0.392 0 C-N-CA 127.132 2.173 . . . . 0.0 110.389 -176.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -62.72 75.58 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.018 0 O-C-N 120.906 -1.122 . . . . 0.0 113.076 174.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.51 -177.86 35.37 Favored Glycine 0 CA--C 1.537 1.458 0 O-C-N 120.136 -1.602 . . . . 0.0 113.834 177.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.95 -47.71 79.36 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 121.611 -0.935 . . . . 0.0 112.662 -171.103 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.4 p -126.01 -15.22 5.9 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.345 1.458 . . . . 0.0 112.754 -179.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.455 ' C ' ' HE3' ' A' ' 13' ' ' LYS . 1.5 pt? -116.6 158.68 23.31 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 127.721 2.408 . . . . 0.0 108.435 178.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.455 ' HE3' ' C ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -158.65 156.41 29.94 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 174.759 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -166.05 -161.61 15.5 Favored Glycine 0 CA--C 1.533 1.211 0 N-CA-C 116.562 1.385 . . . . 0.0 116.562 169.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -148.66 163.15 38.16 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.671 1.588 . . . . 0.0 112.101 -179.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.6 t -159.71 -176.56 5.8 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 126.066 1.746 . . . . 0.0 110.764 169.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 72.6 p -142.34 169.34 17.77 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 126.208 1.803 . . . . 0.0 110.696 173.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.2 t -157.38 150.33 23.42 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 121.357 -0.84 . . . . 0.0 111.551 172.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -76.59 118.75 19.55 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 167.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -138.35 175.9 9.17 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.887 1.675 . . . . 0.0 111.997 178.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.9 p -80.19 -40.16 19.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 O-C-N 121.1 -1.0 . . . . 0.0 111.056 169.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.42 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 3.8 t70 172.16 -160.01 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 131.405 3.882 . . . . 0.0 106.929 -177.545 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.75 -22.2 2.0 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 120.233 -1.542 . . . . 0.0 114.424 170.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.34 -4.85 15.9 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 121.019 -1.05 . . . . 0.0 113.567 174.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.1 m -137.06 -36.93 0.66 Allowed 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.734 1.614 . . . . 0.0 112.32 172.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.2 -38.48 90.61 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.781 1.232 . . . . 0.0 110.913 176.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -73.67 2.77 7.45 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 178.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.89 19.03 4.15 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 120.48 -1.387 . . . . 0.0 111.878 174.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.5 t -120.74 -51.83 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 125.449 1.5 . . . . 0.0 109.995 177.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -61.27 -27.55 68.55 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 123.846 0.858 . . . . 0.0 113.014 176.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -56.09 -29.63 60.86 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.662 1.185 . . . . 0.0 113.197 175.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -84.78 -49.4 8.48 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.595 0.758 . . . . 0.0 110.732 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -63.37 -40.36 97.05 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.965 0.906 . . . . 0.0 112.033 179.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.12 -49.35 78.0 Favored 'General case' 0 N--CA 1.453 -0.311 0 O-C-N 121.306 -0.871 . . . . 0.0 111.845 177.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -65.18 -21.23 66.74 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 174.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -79.91 -30.26 40.02 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 119.515 1.052 . . . . 0.0 112.934 174.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -77.18 -35.33 55.96 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 167.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 119.82 -3.99 13.08 Favored Glycine 0 N--CA 1.438 -1.194 0 C-N-CA 128.925 3.155 . . . . 0.0 114.06 171.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.0 t -74.4 141.93 15.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 CA-C-N 118.857 1.329 . . . . 0.0 111.108 177.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -161.33 52.59 0.26 Allowed 'General case' 0 CA--C 1.544 0.749 0 CA-C-O 122.672 1.225 . . . . 0.0 112.383 169.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.26 -151.93 7.58 Favored Glycine 0 CA--C 1.539 1.545 0 C-N-CA 125.601 1.572 . . . . 0.0 115.425 177.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -68.04 113.23 5.55 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.016 1.327 . . . . 0.0 111.051 176.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 80.4 m95 -77.71 138.25 38.94 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 121.101 -1.0 . . . . 0.0 110.739 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -143.43 161.9 37.18 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 126.517 1.927 . . . . 0.0 110.491 -170.552 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -158.02 168.26 27.61 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.087 1.355 . . . . 0.0 111.439 -177.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -141.2 165.51 27.34 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.272 1.429 . . . . 0.0 112.094 173.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.447 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 28.9 t70 -124.37 1.04 8.37 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 -177.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -98.95 -32.13 11.47 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.456 1.502 . . . . 0.0 111.482 171.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.1 t -123.77 -1.91 8.37 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.381 1.073 . . . . 0.0 113.406 178.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.447 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 2.3 mmpt? 53.76 42.06 31.89 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.963 1.305 . . . . 0.0 112.919 169.147 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.8 m -118.72 109.89 16.62 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 125.836 1.654 . . . . 0.0 109.395 -171.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -64.18 164.04 11.6 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 122.489 1.138 . . . . 0.0 111.643 169.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.2 m -147.41 156.86 43.28 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 125.257 1.423 . . . . 0.0 107.722 169.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 15.0 p -141.53 109.48 2.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 126.378 1.871 . . . . 0.0 107.888 170.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 64.9 m -113.46 111.63 22.26 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.193 0.597 . . . . 0.0 110.626 -170.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.94 61.7 1.52 Allowed 'General case' 0 CA--C 1.547 0.859 0 CA-C-O 122.513 1.149 . . . . 0.0 112.326 176.059 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -109.46 38.47 3.31 Favored Glycine 0 CA--C 1.535 1.338 0 C-N-CA 127.303 2.382 . . . . 0.0 110.844 170.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.9 t -56.16 156.53 5.51 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.716 1.207 . . . . 0.0 113.754 -173.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.2 p-80 -156.12 80.94 0.99 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.899 1.28 . . . . 0.0 111.928 -169.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 42.9 p-80 -137.33 45.07 2.23 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.764 1.626 . . . . 0.0 111.339 -175.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 72.49 -29.16 0.19 Allowed 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 128.393 2.677 . . . . 0.0 112.123 -168.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -109.89 154.25 23.33 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 129.392 3.077 . . . . 0.0 106.117 167.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -120.5 25.76 9.58 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -168.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -139.22 142.44 37.86 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -172.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 90.5 mmm -115.69 -20.43 10.11 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 126.365 1.866 . . . . 0.0 111.976 172.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -135.35 172.31 13.19 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 127.445 2.298 . . . . 0.0 108.852 169.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.7 tpp180 -133.87 103.5 5.87 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 121.079 -1.013 . . . . 0.0 111.421 -174.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -63.08 -26.49 68.86 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.844 1.258 . . . . 0.0 114.285 179.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.8 t 49.03 33.94 5.16 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.478 1.511 . . . . 0.0 113.783 -177.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 7.9 t -129.77 65.69 75.59 Favored Pre-proline 0 CA--C 1.551 0.987 0 C-N-CA 125.484 1.514 . . . . 0.0 112.381 -170.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -65.67 105.26 0.75 Allowed 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 123.283 2.655 . . . . 0.0 110.222 170.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 79.6 mt -68.48 97.86 0.8 Allowed 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.264 1.426 . . . . 0.0 111.402 -175.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -151.96 162.32 41.25 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.807 1.243 . . . . 0.0 112.129 -172.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 3.9 p -134.88 -0.34 2.83 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 127.139 2.175 . . . . 0.0 113.606 -175.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.5 mttp -62.37 168.58 3.42 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.945 1.298 . . . . 0.0 111.892 169.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -126.14 140.68 47.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 C-N-CA 126.622 1.969 . . . . 0.0 108.885 173.391 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -91.34 148.16 22.53 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 126.565 1.946 . . . . 0.0 109.935 -178.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.569 HG13 ' HB3' ' A' ' 113' ' ' ALA . 0.7 OUTLIER -145.95 138.35 20.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.088 0.471 . . . . 0.0 111.419 171.11 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -160.55 -176.48 32.7 Favored Glycine 0 N--CA 1.476 1.314 0 N-CA-C 117.297 1.679 . . . . 0.0 117.297 177.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 31.7 m120 54.92 2.76 0.05 OUTLIER 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 130.965 3.706 . . . . 0.0 118.855 177.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.68 3.44 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 128.523 2.729 . . . . 0.0 117.617 171.159 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 115.02 173.11 17.65 Favored Glycine 0 N--CA 1.473 1.119 0 C-N-CA 125.984 1.754 . . . . 0.0 112.162 -179.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -70.55 58.28 0.19 Allowed 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 125.284 1.433 . . . . 0.0 114.775 -178.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -120.89 156.25 32.42 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.882 1.673 . . . . 0.0 111.744 -175.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -166.4 48.45 0.26 Allowed Glycine 0 CA--C 1.528 0.901 0 C-N-CA 125.924 1.725 . . . . 0.0 111.534 177.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -125.12 10.48 8.13 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.224 1.41 . . . . 0.0 112.837 -172.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.6 -21.28 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.447 1 C-N-CA 131.837 4.055 . . . . 0.0 121.186 172.067 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 57.9 m -57.75 -50.4 73.37 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 120.923 1.692 . . . . 0.0 114.595 -169.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 60.2 tt0 -70.69 -47.58 59.11 Favored 'General case' 0 C--N 1.341 0.233 0 CA-C-N 119.085 0.857 . . . . 0.0 110.559 -177.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.9 pp -60.93 -34.5 74.81 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 118.939 0.79 . . . . 0.0 112.045 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -59.75 -45.2 92.97 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 119.011 0.823 . . . . 0.0 112.515 172.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.86 -36.45 75.53 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 119.788 1.176 . . . . 0.0 112.736 172.182 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.5 -44.31 97.31 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 124.268 1.027 . . . . 0.0 111.543 -179.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.526 ' CE2' HG11 ' A' ' 115' ' ' VAL . 15.3 m-85 -69.35 -65.18 0.74 Allowed 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 125.022 1.329 . . . . 0.0 111.768 173.442 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.409 ' HA2' ' O ' ' A' ' 98' ' ' GLY . . . -52.97 -21.69 10.77 Favored Glycine 0 CA--C 1.546 2.007 0 N-CA-C 115.958 1.143 . . . . 0.0 115.958 -176.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -55.14 -50.73 68.52 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.123 1.769 . . . . 0.0 113.089 168.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -66.94 -40.86 87.68 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.822 0.849 . . . . 0.0 110.903 176.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.409 ' O ' ' HA2' ' A' ' 95' ' ' GLY . . . -176.77 166.75 37.75 Favored Glycine 0 N--CA 1.477 1.424 0 CA-C-O 118.485 -1.175 . . . . 0.0 114.575 169.328 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -67.18 130.07 21.9 Favored 'Trans proline' 0 CA--C 1.535 0.528 0 CA-C-N 121.599 2.699 . . . . 0.0 113.813 -169.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.574 HD13 ' CG2' ' A' ' 103' ' ' VAL . 18.9 mt -71.23 144.34 50.11 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.011 1.724 . . . . 0.0 112.187 174.568 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 45.0 ttm180 -94.85 -34.14 12.57 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.78 1.632 . . . . 0.0 111.165 169.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 88.0 p -153.86 154.76 34.49 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.491 1.116 . . . . 0.0 112.248 173.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.574 ' CG2' HD13 ' A' ' 100' ' ' LEU . 67.5 t -140.77 131.79 28.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 125.29 1.436 . . . . 0.0 108.635 172.221 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 76.1 t90 -139.96 148.91 42.62 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 125.713 1.605 . . . . 0.0 110.484 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.9 m -142.77 151.44 17.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 C-N-CA 125.96 1.704 . . . . 0.0 107.373 175.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.696 ' HB3' ' HG3' ' A' ' 110' ' ' PRO . . . -75.37 166.73 23.15 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 116.116 1.895 . . . . 0.0 116.116 -168.494 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 25.8 ttm105 -33.93 -55.4 0.48 Allowed 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 130.429 3.492 . . . . 0.0 116.955 -169.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -135.47 133.8 20.65 Favored Pre-proline 0 N--CA 1.475 0.801 0 CA-C-O 116.543 -1.694 . . . . 0.0 108.674 176.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -20.92 81.81 0.0 OUTLIER 'Trans proline' 0 CA--C 1.547 1.129 1 C-N-CA 127.994 5.796 . . . . 0.0 117.719 -169.721 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.696 ' HG3' ' HB3' ' A' ' 106' ' ' ALA . 27.8 Cg_endo -88.76 -24.86 0.74 Allowed 'Trans proline' 0 CA--C 1.539 0.739 0 C-N-CA 123.608 2.872 . . . . 0.0 114.041 -169.078 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 74.78 38.14 43.16 Favored Glycine 0 N--CA 1.47 0.951 0 C-N-CA 124.436 1.017 . . . . 0.0 111.808 -169.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -162.99 139.37 7.26 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.484 1.913 . . . . 0.0 109.067 -168.182 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.569 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -164.28 172.35 13.66 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 -167.03 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -147.26 146.17 29.68 Favored 'General case' 0 N--CA 1.482 1.128 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 175.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.526 HG11 ' CE2' ' A' ' 94' ' ' PHE . 18.1 m -141.49 170.26 13.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 124.259 1.024 . . . . 0.0 112.678 -175.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -144.85 148.8 34.39 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 120.97 -1.081 . . . . 0.0 109.719 168.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -113.05 158.75 19.92 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.348 1.459 . . . . 0.0 112.368 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -64.35 -41.81 96.56 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 177.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -110.5 126.1 29.53 Favored Pre-proline 0 CA--C 1.545 0.771 0 C-N-CA 124.786 1.234 . . . . 0.0 108.934 175.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -50.26 -25.65 13.9 Favored 'Trans proline' 0 CA--C 1.539 0.726 0 C-N-CA 123.541 2.827 . . . . 0.0 114.446 169.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.06 -28.18 62.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.164 0.986 . . . . 0.0 113.201 171.435 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -66.34 -45.43 80.25 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 119.715 1.143 . . . . 0.0 109.342 169.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.88 -37.41 82.05 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 118.716 -0.659 . . . . 0.0 112.18 172.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.73 -46.99 73.68 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 119.822 1.192 . . . . 0.0 112.754 175.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -56.01 -45.56 79.04 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 118.921 0.782 . . . . 0.0 110.964 171.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.42 -57.65 7.8 Favored 'General case' 0 C--O 1.221 -0.425 0 C-N-CA 123.333 0.653 . . . . 0.0 110.446 -178.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 41.7 t -53.76 -42.46 52.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 124.773 1.229 . . . . 0.0 112.184 178.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.11 -11.86 58.52 Favored 'General case' 0 N--CA 1.48 1.025 0 N-CA-C 114.336 1.235 . . . . 0.0 114.336 -176.273 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -112.76 -19.01 12.17 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 176.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 74.1 mt -89.67 -30.74 17.88 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.423 1.889 . . . . 0.0 112.541 169.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 13.8 p30 4.09 -48.24 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.395 1 C-N-CA 134.079 4.951 . . . . 0.0 120.167 -174.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 179.07 40.91 0.07 OUTLIER Glycine 0 CA--C 1.531 1.089 0 C-N-CA 129.148 3.261 . . . . 0.0 112.382 171.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 25.3 mmt85 -67.7 -84.05 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 125.231 1.412 . . . . 0.0 112.346 -174.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 3.3 m 177.62 140.38 0.08 Allowed 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 131.411 3.884 . . . . 0.0 105.51 178.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -167.77 141.1 3.34 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 105.538 -2.023 . . . . 0.0 105.538 -170.043 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 74.4 m 58.59 -29.26 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 127.019 2.128 . . . . 0.0 115.564 -169.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 144.88 2.65 0.73 Allowed Glycine 0 CA--C 1.529 0.911 0 C-N-CA 126.247 1.879 . . . . 0.0 115.67 169.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -128.39 177.85 6.68 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.742 1.217 . . . . 0.0 111.351 -177.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.74 90.71 1.87 Allowed 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.301 1.44 . . . . 0.0 109.529 -177.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 6.1 p -67.34 168.24 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 126.63 1.972 . . . . 0.0 109.159 177.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -156.58 126.6 6.42 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 126.956 2.102 . . . . 0.0 106.568 172.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 98.0 t -132.15 128.2 58.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 -174.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -140.42 178.14 7.52 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.822 0.849 . . . . 0.0 110.897 -169.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 20.3 tp -78.9 139.32 38.32 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 120.359 -1.463 . . . . 0.0 109.044 168.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 48.3 t -58.57 128.97 39.86 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.867 0.867 . . . . 0.0 111.252 175.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -153.58 12.06 0.45 Allowed 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 -170.245 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -64.3 150.7 50.6 Favored Glycine 0 CA--C 1.537 1.42 0 O-C-N 121.411 -0.806 . . . . 0.0 114.297 176.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -154.53 149.5 26.77 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.395 1.478 . . . . 0.0 111.519 172.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 38.2 mttp -148.28 88.23 1.64 Allowed 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.52 1.528 . . . . 0.0 111.279 173.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.254 1.315 0 C-N-CA 127.866 2.467 . . . . 0.0 111.577 178.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 151' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.647 0 C2'-C3'-O3' 120.465 3.38 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 152' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.236 1 P-O3'-C3' 127.263 6.303 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.867 1 O5'-C5'-C4' 117.702 5.358 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.42 2 P-O3'-C3' 126.387 5.572 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.483 1.204 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -88.95 140.07 29.81 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 119.636 1.107 . . . . 0.0 111.099 176.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.479 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 86.1 m-85 -126.1 157.81 37.08 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 127.277 2.231 . . . . 0.0 108.882 -177.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -114.42 163.2 15.66 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.733 1.213 . . . . 0.0 112.074 -176.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.517 HD22 ' N ' ' A' ' 6' ' ' ILE . 0.1 OUTLIER -149.63 127.88 12.1 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 126.296 1.838 . . . . 0.0 111.612 179.58 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.517 ' N ' HD22 ' A' ' 5' ' ' LEU . 1.4 mp -109.69 108.17 24.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 126.153 1.781 . . . . 0.0 110.831 176.066 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.455 HD23 ' CG1' ' A' ' 54' ' ' VAL . 16.2 mt -83.99 58.97 4.99 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 128.75 2.82 . . . . 0.0 111.734 176.38 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.417 ' HA ' ' HB2' ' A' ' 13' ' ' LYS . 4.4 t-20 -67.43 126.3 28.84 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 120.945 -1.097 . . . . 0.0 111.144 178.27 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -140.58 -173.27 13.33 Favored Glycine 0 CA--C 1.529 0.956 0 N-CA-C 117.723 1.849 . . . . 0.0 117.723 169.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -69.64 -48.14 60.92 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 127.925 2.49 . . . . 0.0 113.755 -170.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.5 m -119.33 -1.2 10.82 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 125.525 1.53 . . . . 0.0 111.085 -172.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -157.56 164.46 37.3 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 128.258 2.623 . . . . 0.0 110.201 -178.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.417 ' HB2' ' HA ' ' A' ' 8' ' ' ASN . 0.0 OUTLIER -166.16 159.08 14.89 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 124.812 1.245 . . . . 0.0 111.856 166.647 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -176.1 -161.78 25.84 Favored Glycine 0 CA--C 1.522 0.508 0 CA-C-N 114.647 -1.161 . . . . 0.0 115.458 168.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -156.82 155.55 31.72 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.414 1.086 . . . . 0.0 112.389 -174.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.9 t -151.42 -173.66 4.58 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.96 1.304 . . . . 0.0 109.704 174.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 66.9 p -142.06 173.38 11.57 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.299 1.44 . . . . 0.0 110.846 176.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.6 t -158.59 149.33 20.25 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 121.293 -0.879 . . . . 0.0 111.416 173.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 47.4 tp10 -75.06 118.23 17.78 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 107.002 -1.481 . . . . 0.0 107.002 167.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.421 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -137.22 176.91 8.28 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.616 1.567 . . . . 0.0 112.1 178.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 55.4 t -84.43 -38.82 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 O-C-N 121.546 -0.721 . . . . 0.0 111.629 171.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.479 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 2.4 t70 174.58 -156.61 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 130.819 3.648 . . . . 0.0 106.9 173.571 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.82 -21.01 2.51 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 120.468 -1.395 . . . . 0.0 113.616 169.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.55 -7.61 27.47 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.931 1.292 . . . . 0.0 113.814 173.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.421 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 49.8 m -135.48 -37.73 0.76 Allowed 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.84 1.656 . . . . 0.0 111.935 175.429 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.69 -39.66 94.87 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.177 1.391 . . . . 0.0 110.601 176.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -74.44 3.48 7.47 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 114.795 1.406 . . . . 0.0 114.795 178.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.34 18.45 4.42 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 120.368 -1.458 . . . . 0.0 111.821 173.215 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.5 t -119.87 -51.34 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 125.414 1.486 . . . . 0.0 109.777 177.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -61.75 -27.06 68.46 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 123.801 0.841 . . . . 0.0 112.66 177.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -56.18 -32.42 64.33 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.789 1.236 . . . . 0.0 113.202 175.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -81.36 -47.8 12.79 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.335 0.654 . . . . 0.0 110.788 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -66.23 -37.5 85.69 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.403 1.081 . . . . 0.0 112.101 179.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.38 -47.86 84.26 Favored 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 121.137 -0.977 . . . . 0.0 112.003 177.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 -67.02 -18.74 65.5 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 113.599 0.963 . . . . 0.0 113.599 175.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -80.91 -29.68 35.53 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.426 1.012 . . . . 0.0 113.127 171.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -77.42 -34.01 54.8 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.794 -0.566 . . . . 0.0 109.474 168.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.56 7.14 43.02 Favored Glycine 0 N--CA 1.44 -1.075 0 C-N-CA 127.989 2.709 . . . . 0.0 113.908 175.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.437 ' HB ' HD22 ' A' ' 7' ' ' LEU . 21.5 t -83.35 149.26 4.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-N 117.651 0.725 . . . . 0.0 110.117 170.584 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -160.69 46.1 0.21 Allowed 'General case' 0 CA--C 1.549 0.907 0 CA-C-O 122.922 1.344 . . . . 0.0 110.977 170.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.1 -151.32 0.84 Allowed Glycine 0 CA--C 1.539 1.591 0 C-N-CA 126.219 1.866 . . . . 0.0 117.641 178.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -68.45 93.01 0.46 Allowed 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 125.73 1.612 . . . . 0.0 112.431 -175.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 76.4 m95 -66.96 109.49 2.98 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 119.363 -2.085 . . . . 0.0 110.637 -174.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.6 m -128.0 160.59 31.45 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 127.116 2.167 . . . . 0.0 109.134 -170.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -149.08 163.07 38.61 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 126.098 1.759 . . . . 0.0 109.985 179.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -135.0 125.74 27.17 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 125.243 1.417 . . . . 0.0 108.437 171.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.491 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.8 OUTLIER -85.11 -7.64 59.0 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 -173.332 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -101.76 -28.65 12.33 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.304 1.442 . . . . 0.0 112.223 -177.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.8 t -113.37 1.85 15.26 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.656 0.783 . . . . 0.0 112.888 171.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.491 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 4.3 mmpt? 53.81 40.07 31.09 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 126.277 1.831 . . . . 0.0 112.869 169.723 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 57.6 m -124.58 112.9 17.36 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.852 1.261 . . . . 0.0 110.483 -169.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -67.31 158.52 31.36 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.847 1.259 . . . . 0.0 111.278 169.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 37.8 m -147.96 151.76 36.35 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.089 1.356 . . . . 0.0 107.71 169.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.455 ' CG1' HD23 ' A' ' 7' ' ' LEU 0.289 10.6 p -147.09 58.76 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 CA-C-O 123.272 1.51 . . . . 0.0 112.752 -171.803 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.6 m -57.75 102.02 0.09 Allowed 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 126.96 2.104 . . . . 0.0 114.295 -173.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -71.54 121.62 19.03 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 127.165 2.186 . . . . 0.0 114.229 -174.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 66.08 -64.41 0.14 Allowed Glycine 0 CA--C 1.533 1.2 0 C-N-CA 126.856 2.17 . . . . 0.0 115.505 169.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.7 p -39.97 -71.26 0.08 Allowed 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 128.723 2.809 . . . . 0.0 114.675 -179.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -91.38 -18.72 23.82 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 -176.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -57.02 -26.59 60.54 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.514 1.301 . . . . 0.0 114.514 -171.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 19.3 p-80 -60.67 -15.13 25.46 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.228 1.411 . . . . 0.0 113.985 173.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -125.87 11.44 7.76 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 127.817 2.447 . . . . 0.0 112.403 -175.466 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 21.0 t-160 -59.64 107.49 0.6 Allowed 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.383 -0.823 . . . . 0.0 111.211 177.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 18.0 p80 -67.68 13.84 0.07 Allowed 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 126.183 1.793 . . . . 0.0 115.426 -174.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 92.8 mmm -114.7 -19.42 11.08 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.492 1.917 . . . . 0.0 112.507 176.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . 0.255 4.1 p80 46.44 -22.82 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.028 1 C-N-CA 131.742 4.017 . . . . 0.0 121.119 174.155 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 15.3 ttm105 -65.31 -11.56 42.96 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-N 121.565 1.984 . . . . 0.0 115.04 -173.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 -93.36 -8.48 41.78 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 127.822 2.449 . . . . 0.0 114.227 173.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 29.0 p -144.83 -0.18 0.93 Allowed 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 115.586 1.699 . . . . 0.0 115.586 -168.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 30.3 m -38.93 -54.13 3.28 Favored Pre-proline 0 CA--C 1.547 0.844 0 N-CA-C 116.283 1.957 . . . . 0.0 116.283 -177.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -69.38 -7.77 21.84 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 122.85 2.367 . . . . 0.0 115.388 -173.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 73.5 mt -79.27 66.34 4.69 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.602 1.561 . . . . 0.0 110.839 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -129.64 165.77 21.12 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 126.64 1.976 . . . . 0.0 112.167 -169.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 68.9 m -123.05 -7.12 8.35 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.967 2.107 . . . . 0.0 113.007 171.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.24 151.43 31.71 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 119.363 0.983 . . . . 0.0 109.188 168.107 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.3 t -120.55 128.36 76.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 C-N-CA 126.6 1.96 . . . . 0.0 108.162 178.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -85.76 143.86 28.09 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 124.221 1.008 . . . . 0.0 109.337 171.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.469 HG13 ' HB3' ' A' ' 113' ' ' ALA . 0.9 OUTLIER -149.67 138.4 15.0 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.276 0 CA-C-O 121.662 0.744 . . . . 0.0 112.45 175.498 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -133.38 140.73 12.07 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 108.479 -1.848 . . . . 0.0 108.479 167.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -163.36 151.18 13.2 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.002 1.321 . . . . 0.0 109.973 -168.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 50.1 tp 61.74 -52.87 0.13 Allowed 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 128.561 2.744 . . . . 0.0 114.726 -170.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.58 -21.22 39.57 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 125.839 1.685 . . . . 0.0 114.912 177.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -118.71 5.58 11.57 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 116.436 2.013 . . . . 0.0 116.436 -170.033 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -178.13 142.1 0.26 Allowed 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 126.192 1.797 . . . . 0.0 112.262 168.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -86.31 113.57 3.91 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 125.072 1.32 . . . . 0.0 110.818 168.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -136.17 135.07 38.87 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.967 1.307 . . . . 0.0 109.782 169.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.5 ptpt -77.35 -22.34 51.95 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 115.712 1.745 . . . . 0.0 115.712 -172.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 90.0 m -47.34 -62.43 1.43 Allowed 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 125.06 1.344 . . . . 0.0 113.495 -169.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.16 -55.76 16.8 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.27 -174.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.436 HD12 ' N ' ' A' ' 91' ' ' GLU . 3.5 pp -64.72 -34.45 78.35 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 120.251 -0.58 . . . . 0.0 111.732 -171.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.436 ' N ' HD12 ' A' ' 90' ' ' LEU . 30.0 tt0 -61.13 -49.98 75.08 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 119.551 1.069 . . . . 0.0 111.378 176.158 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.26 -34.25 77.57 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 118.983 -1.087 . . . . 0.0 111.866 174.008 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.21 -43.44 91.54 Favored 'General case' 0 C--O 1.222 -0.38 0 C-N-CA 123.905 0.882 . . . . 0.0 112.007 -178.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.498 ' CD2' HG11 ' A' ' 115' ' ' VAL . 18.0 m-85 -67.89 -63.65 1.02 Allowed 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 125.061 1.344 . . . . 0.0 111.078 174.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -56.08 -21.71 32.74 Favored Glycine 0 CA--C 1.546 2.021 0 N-CA-C 115.764 1.065 . . . . 0.0 115.764 -177.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -54.74 -51.16 66.52 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.854 1.662 . . . . 0.0 113.094 168.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -66.31 -40.84 90.24 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.197 0.599 . . . . 0.0 110.578 176.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -176.62 158.92 25.4 Favored Glycine 0 N--CA 1.479 1.523 0 CA-C-O 118.259 -1.301 . . . . 0.0 114.394 169.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -57.41 138.79 87.85 Favored 'Trans proline' 0 CA--C 1.536 0.614 0 CA-C-N 121.773 2.787 . . . . 0.0 115.877 -169.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.451 HD13 ' CG2' ' A' ' 103' ' ' VAL . 15.2 mt -83.89 158.23 21.69 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 126.199 1.799 . . . . 0.0 112.721 177.474 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 38.6 mtm-85 -109.31 -31.21 7.64 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 126.01 1.724 . . . . 0.0 112.118 169.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.5 t -155.55 149.64 25.64 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.241 1.017 . . . . 0.0 111.731 176.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.451 ' CG2' HD13 ' A' ' 100' ' ' LEU . 81.0 t -139.78 129.67 29.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 125.517 1.527 . . . . 0.0 108.791 172.401 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 79.4 t90 -136.17 150.58 49.1 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 126.054 1.742 . . . . 0.0 110.179 173.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 5.7 m -142.26 151.76 18.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 C-N-CA 123.699 0.799 . . . . 0.0 110.739 174.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -68.72 103.24 1.69 Allowed 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 121.623 0.725 . . . . 0.0 110.586 174.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 45.0 ptt85 -54.84 14.11 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 131.3 3.84 . . . . 0.0 117.021 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -126.82 -178.83 0.81 Allowed Pre-proline 0 CA--C 1.556 1.194 0 C-N-CA 128.845 2.858 . . . . 0.0 110.68 -168.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -55.44 -26.43 53.57 Favored 'Trans proline' 0 CA--C 1.548 1.206 0 C-N-CA 123.561 2.84 . . . . 0.0 117.787 173.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_exo -58.47 135.02 64.97 Favored 'Trans proline' 0 CA--C 1.54 0.818 0 CA-C-N 123.09 2.139 . . . . 0.0 113.485 169.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -95.78 63.24 1.31 Allowed Glycine 0 N--CA 1.473 1.16 0 C-N-CA 127.287 2.375 . . . . 0.0 109.636 179.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -141.42 150.68 42.66 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.472 1.909 . . . . 0.0 110.044 -167.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.469 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -165.76 174.02 10.1 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.921 1.288 . . . . 0.0 114.069 -168.276 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.412 ' CE1' ' C4 ' ' B' ' 152' ' ' ' A' . 95.3 m-85 -148.85 147.47 28.76 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 172.055 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.498 HG11 ' CD2' ' A' ' 94' ' ' PHE . 16.5 m -135.34 173.75 13.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 O-C-N 121.193 -0.942 . . . . 0.0 112.547 177.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -146.67 140.18 25.79 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.602 1.161 . . . . 0.0 108.599 169.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.453 ' HB2' ' HB2' ' A' ' 123' ' ' ALA . 35.5 m-85 -105.81 160.65 15.07 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.615 1.166 . . . . 0.0 113.078 -176.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -66.52 -27.11 67.51 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 173.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -141.12 123.58 9.53 Favored Pre-proline 0 CA--C 1.55 0.949 0 C-N-CA 124.331 1.053 . . . . 0.0 111.75 -173.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.74 -30.6 57.25 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 124.739 3.626 . . . . 0.0 115.456 176.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 23.2 ttp-105 -56.88 -48.52 77.97 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-N 119.799 1.181 . . . . 0.0 110.669 171.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -76.97 -34.66 57.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.858 -174.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.453 ' HB2' ' HB2' ' A' ' 117' ' ' PHE . . . -58.91 -47.03 86.43 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.342 0.657 . . . . 0.0 111.469 169.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.86 -49.69 69.54 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.55 0.74 . . . . 0.0 111.259 -179.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -70.43 -30.09 66.85 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 119.07 0.85 . . . . 0.0 112.974 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.21 -54.1 48.53 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 121.774 -0.579 . . . . 0.0 110.422 169.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 40.0 t -52.7 -42.45 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 124.779 1.232 . . . . 0.0 111.939 173.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -67.95 -23.35 65.05 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 127.195 2.198 . . . . 0.0 113.65 -179.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -106.1 -38.65 6.22 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.159 0.984 . . . . 0.0 113.42 178.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 32.6 mt -66.6 -40.19 88.76 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.724 1.61 . . . . 0.0 114.369 -177.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -58.08 142.82 45.74 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 115.923 1.823 . . . . 0.0 115.923 -169.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 74.13 -63.03 2.11 Favored Glycine 0 CA--C 1.531 1.087 0 C-N-CA 126.462 1.982 . . . . 0.0 116.992 169.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . 0.26 0.0 OUTLIER -74.36 38.57 0.11 Allowed 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 127.856 2.462 . . . . 0.0 117.452 -167.833 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 97.2 m 72.83 143.58 0.07 Allowed 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 127.008 2.123 . . . . 0.0 113.78 170.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 36.9 tp -142.6 -64.68 0.41 Allowed 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.355 0.662 . . . . 0.0 111.945 173.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 24.5 m -74.09 -27.43 60.89 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 119.307 0.958 . . . . 0.0 113.435 171.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 131.0 35.66 0.38 Allowed Glycine 0 CA--C 1.536 1.393 0 N-CA-C 117.032 1.573 . . . . 0.0 117.032 169.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 37.8 t -143.74 -75.99 0.24 Allowed 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 119.054 1.427 . . . . 0.0 109.093 178.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 70.0 mtp180 -148.23 162.56 39.22 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 127.64 2.376 . . . . 0.0 109.88 169.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 78.9 t -127.8 150.76 33.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 126.557 1.943 . . . . 0.0 109.219 169.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.65 97.18 2.59 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.612 1.565 . . . . 0.0 110.091 175.445 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 48.5 t -122.49 133.32 69.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 126.084 1.754 . . . . 0.0 110.678 -168.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -145.02 167.75 21.92 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.172 0.989 . . . . 0.0 111.713 -176.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 22.1 tp -79.94 139.09 37.2 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 167.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 3.5 m -64.45 120.22 11.87 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 -172.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -146.91 140.31 25.57 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.659 1.984 . . . . 0.0 110.559 171.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 150.1 177.48 24.14 Favored Glycine 0 CA--C 1.531 1.079 0 C-N-CA 126.369 1.938 . . . . 0.0 110.064 -170.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -75.07 -34.38 61.79 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 118.65 1.225 . . . . 0.0 112.388 176.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -80.72 132.7 35.58 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.216 1.406 . . . . 0.0 108.301 174.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 3.4 mmm180 . . . . . 0 C--O 1.252 1.23 0 CA-C-O 117.414 -1.279 . . . . 0.0 113.154 -170.322 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 151' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.998 1 C3'-C2'-C1' 105.676 4.64 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 152' ' ' ' A' . . . . . 0.412 ' C4 ' ' CE1' ' A' ' 114' ' ' PHE . . . . . . . . 0 C5'--C4' 1.533 1.806 1 O4'-C1'-N19 115.355 7.155 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.506 3 N19-C1'-C2' 122.937 5.96 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.659 2 P-O3'-C3' 128.335 7.196 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.6 mmt . . . . . 0 N--CA 1.484 1.267 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -84.57 142.73 29.77 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 119.88 1.218 . . . . 0.0 111.565 175.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.486 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 83.2 m-85 -126.07 157.53 37.73 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 127.799 2.44 . . . . 0.0 108.914 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -111.36 162.57 14.9 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.079 1.352 . . . . 0.0 111.745 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.589 HD22 ' HB3' ' A' ' 30' ' ' PHE . 14.6 tp -143.64 140.88 30.33 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 126.782 2.033 . . . . 0.0 111.252 173.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mp -119.9 106.95 19.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 126.408 1.883 . . . . 0.0 109.403 172.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.51 HD21 HD21 ' A' ' 5' ' ' LEU . 73.9 mt -77.54 75.24 4.09 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 126.285 1.834 . . . . 0.0 109.258 169.158 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -63.27 52.55 0.02 OUTLIER 'General case' 0 CA--C 1.562 1.409 0 C-N-CA 125.599 1.56 . . . . 0.0 114.302 172.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.78 122.43 6.79 Favored Glycine 0 N--CA 1.468 0.822 0 O-C-N 119.442 -2.036 . . . . 0.0 114.129 178.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -31.08 -41.99 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 128.911 2.885 . . . . 0.0 117.809 -177.151 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 62.2 m -100.1 -37.34 9.0 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.048 0.939 . . . . 0.0 113.131 -173.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.5 pp -114.24 -17.8 11.76 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 117.149 2.277 . . . . 0.0 117.149 -167.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -10.72 134.28 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 120.248 3.425 . . . . 0.0 120.248 -166.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -175.57 -166.22 32.81 Favored Glycine 0 CA--C 1.528 0.895 0 N-CA-C 117.058 1.583 . . . . 0.0 117.058 169.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -130.69 163.23 27.69 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 118.913 1.357 . . . . 0.0 113.792 -168.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.4 t -157.5 -176.61 6.05 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.553 1.541 . . . . 0.0 110.777 169.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.1 p -143.14 169.5 17.47 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 126.352 1.861 . . . . 0.0 110.538 174.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.8 t -157.93 149.2 21.31 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.27 -0.893 . . . . 0.0 111.76 172.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.0 tp10 -75.08 119.11 18.79 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 106.955 -1.498 . . . . 0.0 106.955 167.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.421 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -138.75 175.99 9.08 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.529 1.531 . . . . 0.0 112.453 178.649 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 49.4 t -83.69 -39.07 14.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 O-C-N 121.426 -0.796 . . . . 0.0 111.752 171.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.486 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 3.3 t70 173.63 -155.9 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 131.272 3.829 . . . . 0.0 106.656 174.278 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.5 -19.79 2.49 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 120.625 1.557 . . . . 0.0 113.874 169.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.44 -7.49 19.86 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.559 1.144 . . . . 0.0 113.674 172.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.421 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 54.9 m -137.56 -38.26 0.6 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.993 1.717 . . . . 0.0 112.095 175.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.43 -38.95 88.54 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.019 1.328 . . . . 0.0 110.914 177.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -74.97 4.36 6.73 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 177.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.406 ' HE3' HG23 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -131.97 19.42 4.55 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 125.172 1.389 . . . . 0.0 111.546 171.198 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.406 HG23 ' HE3' ' A' ' 28' ' ' LYS . 3.5 t -119.92 -51.37 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 124.875 1.27 . . . . 0.0 110.3 176.265 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.589 ' HB3' HD22 ' A' ' 5' ' ' LEU . 23.4 m-85 -60.92 -26.89 67.8 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.303 0.482 . . . . 0.0 112.303 176.515 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -54.53 -32.29 57.94 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.833 1.253 . . . . 0.0 113.0 171.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -77.53 -51.13 11.22 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 118.589 0.631 . . . . 0.0 110.848 176.254 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 94.0 t80 -60.11 -43.78 95.35 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 124.089 0.955 . . . . 0.0 112.336 -178.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.93 -49.85 74.37 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.964 0.906 . . . . 0.0 110.745 176.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -67.4 -23.83 65.6 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 178.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . 0.324 1.4 p30 -87.39 -15.29 38.25 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 120.282 1.401 . . . . 0.0 114.069 175.489 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -84.0 -46.98 11.46 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 166.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 133.46 -0.63 4.29 Favored Glycine 0 CA--C 1.541 1.693 0 C-N-CA 128.936 3.16 . . . . 0.0 115.627 172.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.1 t -77.72 155.23 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 125.063 1.345 . . . . 0.0 112.763 176.045 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -166.25 39.78 0.05 Allowed 'General case' 0 CA--C 1.559 1.32 0 C-N-CA 125.141 1.376 . . . . 0.0 111.729 169.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.92 -145.4 0.49 Allowed Glycine 0 CA--C 1.544 1.903 0 N-CA-C 118.11 2.004 . . . . 0.0 118.11 -176.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -72.16 89.07 1.15 Allowed 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.888 1.675 . . . . 0.0 112.44 -177.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 90.2 m95 -65.55 112.59 3.68 Favored 'General case' 0 C--O 1.236 0.344 0 O-C-N 120.058 -1.651 . . . . 0.0 110.543 -176.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 38.9 m -132.91 160.56 36.66 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 127.465 2.306 . . . . 0.0 108.559 -169.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -156.68 165.54 35.97 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.168 1.387 . . . . 0.0 111.097 -171.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -143.24 157.06 44.82 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.399 1.88 . . . . 0.0 110.494 -174.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.416 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 28.1 t70 -127.79 1.43 6.06 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 -176.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -88.73 -30.58 18.97 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.506 1.122 . . . . 0.0 109.949 169.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -130.96 -7.57 3.93 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 -174.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.416 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 1.2 mmpt? 60.38 46.13 10.28 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.268 1.827 . . . . 0.0 112.56 178.53 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 82.1 m -119.58 110.99 17.52 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.022 0.929 . . . . 0.0 111.534 -172.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -64.97 157.56 27.9 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.817 0.847 . . . . 0.0 111.332 169.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 35.3 m -147.59 149.58 32.82 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.237 1.415 . . . . 0.0 108.202 171.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.441 ' CG1' HD23 ' A' ' 7' ' ' LEU 0.269 14.5 p -148.33 79.24 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 CA-C-O 123.179 1.466 . . . . 0.0 111.61 -175.538 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.4 m -73.53 114.96 12.36 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.274 1.43 . . . . 0.0 111.873 -176.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -126.06 135.46 51.78 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 127.067 2.147 . . . . 0.0 110.832 -169.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -139.36 26.65 2.67 Favored Glycine 0 CA--C 1.536 1.377 0 N-CA-C 117.475 1.75 . . . . 0.0 117.475 -169.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 36.8 t -152.88 138.98 18.24 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 120.105 1.953 . . . . 0.0 115.404 173.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 31.0 m80 -75.61 -18.82 59.59 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.326 -0.859 . . . . 0.0 112.704 169.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 65.9 t-80 57.69 -51.14 0.04 OUTLIER 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 129.731 3.212 . . . . 0.0 116.123 -174.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 20.1 t60 -146.22 72.93 1.31 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.035 1.334 . . . . 0.0 112.52 178.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 42.0 t-80 -67.67 92.81 0.34 Allowed 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.13 1.772 . . . . 0.0 106.89 168.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 21.9 p80 -62.48 10.98 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 117.204 2.298 . . . . 0.0 117.204 -168.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 17.7 t60 -148.41 135.42 20.11 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 127.614 2.366 . . . . 0.0 108.766 179.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 17.9 ttm -145.53 28.28 1.19 Allowed 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.933 0.893 . . . . 0.0 112.123 176.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 10.6 m80 70.09 -32.44 0.24 Allowed 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 129.292 3.037 . . . . 0.0 115.426 176.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.18 -2.97 27.0 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 127.25 2.22 . . . . 0.0 115.367 176.212 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -70.43 166.09 21.12 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 126.271 1.829 . . . . 0.0 113.271 -177.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.0 p -141.13 -42.2 0.38 Allowed 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 114.508 1.299 . . . . 0.0 114.508 171.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.4 ' HB3' ' HD3' ' A' ' 71' ' ' PRO 0.271 44.3 t 109.08 -57.65 0.0 OUTLIER Pre-proline 0 CA--C 1.554 1.111 1 C-N-CA 133.12 4.568 . . . . 0.0 111.454 -177.953 . . . . . . . . 4 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.4 ' HD3' ' HB3' ' A' ' 70' ' ' CYS . 38.4 Cg_exo -67.29 -43.76 5.7 Favored 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 122.807 2.338 . . . . 0.0 114.799 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -81.12 -15.9 54.59 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.559 1.144 . . . . 0.0 112.326 -175.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.434 ' C ' ' H ' ' A' ' 75' ' ' LYS . 1.0 OUTLIER -71.83 26.39 0.05 OUTLIER 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 127.805 2.442 . . . . 0.0 114.831 -174.73 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 26.5 p -66.49 19.4 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.148 0 C-N-CA 126.018 1.727 . . . . 0.0 113.776 169.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.434 ' H ' ' C ' ' A' ' 73' ' ' ASP . 40.2 mmtm -87.72 136.12 33.09 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 128.487 2.715 . . . . 0.0 109.977 -172.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 63.6 t -130.74 139.15 51.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 124.635 1.174 . . . . 0.0 111.12 -170.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -93.2 147.77 22.6 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 126.412 1.885 . . . . 0.0 110.032 169.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.489 HG13 ' HB3' ' A' ' 113' ' ' ALA . 0.4 OUTLIER -147.85 131.35 8.6 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.296 0 CA-C-O 121.431 0.634 . . . . 0.0 111.144 169.66 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -161.18 -163.66 14.59 Favored Glycine 0 N--CA 1.469 0.892 0 O-C-N 121.298 -0.876 . . . . 0.0 114.335 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 36.42 60.79 0.87 Allowed 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 126.04 1.736 . . . . 0.0 111.617 -172.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 45.7 tp -115.28 -25.03 8.18 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.301 1.44 . . . . 0.0 114.289 -168.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 96.11 -178.02 34.26 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 123.818 0.723 . . . . 0.0 111.45 -169.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -59.19 -0.49 0.14 Allowed 'General case' 0 CA--C 1.553 1.07 0 N-CA-C 117.928 2.566 . . . . 0.0 117.928 -169.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -79.67 56.39 2.23 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 120.55 1.523 . . . . 0.0 113.418 -179.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -75.9 56.23 3.08 Favored Glycine 0 N--CA 1.472 1.089 0 C-N-CA 126.023 1.773 . . . . 0.0 113.561 175.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -141.66 140.98 33.36 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 126.414 1.886 . . . . 0.0 107.797 171.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 20.1 pttp -57.87 -28.33 64.06 Favored 'General case' 0 C--O 1.217 -0.639 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 -177.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 21.7 m -43.5 -57.9 2.88 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 126.306 1.842 . . . . 0.0 114.132 -170.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.77 -59.36 4.66 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 122.578 0.351 . . . . 0.0 110.682 -177.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.1 pp -63.03 -33.66 75.91 Favored 'General case' 0 C--O 1.218 -0.568 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -175.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -58.83 -48.37 81.56 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 126.418 1.887 . . . . 0.0 111.419 175.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -34.43 70.97 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 118.413 -0.803 . . . . 0.0 112.127 172.423 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.0 -39.42 92.18 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 119.419 1.009 . . . . 0.0 111.701 178.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.502 ' CD2' HG21 ' A' ' 115' ' ' VAL . 11.1 m-85 -75.26 -62.08 1.68 Allowed 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 126.317 1.847 . . . . 0.0 111.747 176.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -63.68 -13.52 51.66 Favored Glycine 0 CA--C 1.544 1.858 0 N-CA-C 115.293 0.877 . . . . 0.0 115.293 -178.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -54.98 -48.35 73.38 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 118.999 1.399 . . . . 0.0 111.662 167.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -65.5 -47.74 74.96 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.495 0.718 . . . . 0.0 109.544 172.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 176.14 160.46 23.56 Favored Glycine 0 N--CA 1.478 1.444 0 N-CA-C 115.652 1.021 . . . . 0.0 115.652 169.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -47.58 139.13 18.38 Favored 'Trans proline' 0 CA--C 1.537 0.65 0 C-N-CA 124.079 3.186 . . . . 0.0 116.718 -168.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.464 HD22 HG22 ' A' ' 103' ' ' VAL . 0.2 OUTLIER -117.93 150.89 38.47 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.844 1.257 . . . . 0.0 113.373 173.537 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -94.45 -37.92 11.19 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 127.068 2.147 . . . . 0.0 112.723 -169.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.1 m -140.58 144.38 35.82 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.855 1.262 . . . . 0.0 110.415 175.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.464 HG22 HD22 ' A' ' 100' ' ' LEU . 1.8 t -143.29 131.43 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 125.436 1.494 . . . . 0.0 107.169 -178.407 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 85.1 t90 -147.1 147.91 31.06 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.998 0.919 . . . . 0.0 112.257 -168.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 1.4 m -141.97 153.11 18.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 O-C-N 121.593 -0.692 . . . . 0.0 109.604 169.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -81.25 160.31 24.3 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 114.584 1.327 . . . . 0.0 114.584 -170.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 23.8 mtm105 -68.24 -34.18 75.74 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 116.377 1.991 . . . . 0.0 116.377 -172.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 33.8 m120 -116.6 -38.47 0.07 OUTLIER Pre-proline 0 CA--C 1.549 0.941 0 N-CA-C 117.074 2.25 . . . . 0.0 117.074 -169.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -95.15 101.24 0.11 Allowed 'Trans proline' 0 CA--C 1.55 1.282 0 C-N-CA 123.591 2.86 . . . . 0.0 111.291 172.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -80.35 51.51 3.95 Favored 'Trans proline' 0 CA--C 1.547 1.161 0 C-N-CA 123.787 2.992 . . . . 0.0 113.491 -172.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -158.46 21.46 0.34 Allowed Glycine 0 N--CA 1.476 1.316 0 C-N-CA 124.946 1.26 . . . . 0.0 114.47 178.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -149.46 141.4 23.79 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 127.342 2.257 . . . . 0.0 108.431 -174.28 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.489 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -164.36 178.28 7.61 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 114.927 1.454 . . . . 0.0 114.927 -165.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -147.22 166.11 28.0 Favored 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 176.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.502 HG21 ' CD2' ' A' ' 94' ' ' PHE . 1.5 t -152.06 165.84 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 C-N-CA 126.439 1.896 . . . . 0.0 112.919 -173.474 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 56.4 tt0 -140.88 117.01 10.57 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 127.684 2.393 . . . . 0.0 108.105 167.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.4 ' CZ ' ' HB3' ' A' ' 94' ' ' PHE . 33.8 m-85 -79.58 159.0 27.0 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 119.692 1.133 . . . . 0.0 113.025 173.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -71.86 -19.25 61.99 Favored 'General case' 0 CA--C 1.548 0.875 0 O-C-N 121.455 -0.778 . . . . 0.0 112.151 174.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -137.67 124.78 13.68 Favored Pre-proline 0 CA--C 1.549 0.908 0 C-N-CA 126.975 2.11 . . . . 0.0 108.895 179.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -60.27 -24.84 78.56 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 122.651 2.234 . . . . 0.0 113.522 177.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -70.88 -31.33 67.96 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.049 0.84 . . . . 0.0 111.904 171.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -70.63 -40.1 73.3 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 120.004 1.275 . . . . 0.0 111.813 169.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.45 -43.0 83.57 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 119.152 0.887 . . . . 0.0 111.577 169.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.07 -48.75 75.0 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.163 0.585 . . . . 0.0 112.413 176.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -59.62 -42.34 92.47 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.288 1.035 . . . . 0.0 112.473 176.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.39 -54.97 24.44 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 118.83 -0.605 . . . . 0.0 109.694 177.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 37.5 t -50.89 -48.36 28.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 124.373 1.069 . . . . 0.0 112.472 175.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 7.1 ppt_? -69.45 -22.1 63.67 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 -176.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -111.27 -9.95 14.28 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 178.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 39.4 mt -90.02 -45.09 9.41 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.49 1.516 . . . . 0.0 112.499 172.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -61.43 130.05 44.15 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 113.704 1.002 . . . . 0.0 113.704 -169.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 65.43 38.39 94.83 Favored Glycine 0 CA--C 1.533 1.193 0 CA-C-O 119.129 -0.817 . . . . 0.0 114.533 169.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 22.7 mmt-85 -118.02 -56.97 2.14 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-N 118.28 1.04 . . . . 0.0 113.734 -173.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 16.9 m 138.07 128.08 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.13 1 C-N-CA 132.756 4.422 . . . . 0.0 107.859 -171.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -161.64 135.99 6.95 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 104.339 -2.467 . . . . 0.0 104.339 174.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 10.9 t 61.52 -62.91 0.09 Allowed 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 126.287 1.835 . . . . 0.0 111.027 -167.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 173.65 27.97 0.03 OUTLIER Glycine 0 CA--C 1.53 1.002 0 C-N-CA 124.926 1.251 . . . . 0.0 115.02 168.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -140.4 -169.75 2.84 Favored 'General case' 0 CA--C 1.55 0.975 0 CA-C-N 118.237 1.018 . . . . 0.0 112.37 -169.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.21 3.97 19.03 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 114.843 1.423 . . . . 0.0 114.843 -168.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . 0.27 3.6 p 36.34 70.79 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 128.748 2.819 . . . . 0.0 111.815 174.297 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.15 89.25 0.18 Allowed 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.774 2.029 . . . . 0.0 110.625 176.5 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 95.8 t -123.64 127.48 74.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 -171.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -153.24 167.75 28.28 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 121.211 -0.93 . . . . 0.0 111.869 -171.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 84.0 mt -75.51 134.2 40.84 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 120.514 -1.366 . . . . 0.0 109.245 169.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.21 130.13 42.24 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 -172.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 12.4 p-10 -132.43 -41.42 0.97 Allowed 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.583 1.153 . . . . 0.0 114.066 173.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 124.65 10.45 4.9 Favored Glycine 0 CA--C 1.54 1.626 0 C-N-CA 125.27 1.414 . . . . 0.0 115.824 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -62.17 137.8 58.31 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 116.458 2.021 . . . . 0.0 116.458 -169.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -143.66 4.48 1.34 Allowed 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 115.123 1.527 . . . . 0.0 115.123 177.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.058 0 C-N-CA 129.469 3.108 . . . . 0.0 108.977 -175.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 151' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.6 1 O4'-C1'-N19 112.791 4.591 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 152' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.298 2 P-O3'-C3' 127.648 6.623 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.886 3 N19-C1'-C2' 125.756 7.723 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.752 2 O4'-C1'-N19 114.391 6.191 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -92.23 143.34 26.52 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 120.694 -1.254 . . . . 0.0 113.265 -173.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.455 ' CD1' ' HB3' ' A' ' 20' ' ' ALA . 57.5 m-85 -125.14 159.73 30.8 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 127.72 2.408 . . . . 0.0 108.828 -178.454 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -111.24 160.81 16.63 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.941 1.296 . . . . 0.0 111.53 -179.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.499 HD11 ' HG ' ' A' ' 7' ' ' LEU . 1.1 tm? -146.27 137.22 24.35 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 126.202 1.801 . . . . 0.0 110.872 175.049 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mp -112.4 121.0 63.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 126.368 1.867 . . . . 0.0 110.767 172.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.499 ' HG ' HD11 ' A' ' 5' ' ' LEU . 3.1 mp -87.75 66.48 8.85 Favored 'General case' 0 C--O 1.223 -0.301 0 C-N-CA 127.131 2.172 . . . . 0.0 109.87 178.083 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.405 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 14.4 t30 -66.95 60.58 0.05 OUTLIER 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 127.095 2.158 . . . . 0.0 115.185 -173.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.86 -179.36 29.19 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 120.879 -1.138 . . . . 0.0 115.493 -179.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -58.93 -62.68 1.7 Allowed 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.645 1.578 . . . . 0.0 114.234 -169.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.8 m -124.95 -14.57 6.62 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 124.31 1.044 . . . . 0.0 112.801 -169.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.702 ' H ' HD23 ' A' ' 12' ' ' LEU . 2.6 pt? -109.39 -4.84 16.08 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.976 1.71 . . . . 0.0 114.793 -169.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.484 ' H ' ' HE2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -41.79 148.93 0.15 Allowed 'General case' 0 C--O 1.235 0.311 0 N-CA-C 117.275 2.324 . . . . 0.0 117.275 -168.771 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -168.65 -152.48 7.72 Favored Glycine 0 CA--C 1.527 0.806 0 CA-C-N 113.959 -1.473 . . . . 0.0 116.573 170.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -156.75 157.21 34.67 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.728 1.611 . . . . 0.0 112.318 -179.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.7 t -155.65 -173.82 4.7 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 126.054 1.742 . . . . 0.0 109.749 176.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 54.6 p -140.61 169.74 17.08 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.703 1.601 . . . . 0.0 110.609 176.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.595 HG21 ' CG1' ' A' ' 29' ' ' VAL . 3.6 t -153.9 151.47 29.51 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.989 0.916 . . . . 0.0 111.456 178.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -80.94 122.79 27.69 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 168.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.455 ' HB3' ' CD1' ' A' ' 3' ' ' TYR . . . -143.71 172.57 12.64 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.697 1.199 . . . . 0.0 114.159 -178.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.8 t -97.38 -15.72 7.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 124.302 1.041 . . . . 0.0 112.689 175.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.453 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR 0.253 3.4 t70 150.54 -157.67 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.554 1 C-N-CA 133.817 4.847 . . . . 0.0 107.329 173.615 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.53 -20.57 3.04 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 120.982 1.719 . . . . 0.0 114.016 171.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.33 -9.1 21.7 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.658 1.183 . . . . 0.0 113.677 172.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.422 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 85.9 m -136.14 -39.05 0.68 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.762 1.625 . . . . 0.0 112.395 176.602 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.457 ' HA ' HG12 ' A' ' 29' ' ' VAL . . . -67.6 -37.61 82.8 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.849 1.26 . . . . 0.0 110.754 179.242 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -74.73 3.14 8.46 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 177.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.87 20.88 3.52 Favored 'General case' 0 N--CA 1.464 0.244 0 O-C-N 120.669 -1.27 . . . . 0.0 112.003 175.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.595 ' CG1' HG21 ' A' ' 18' ' ' THR . 3.4 p -124.96 -41.55 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 124.248 1.019 . . . . 0.0 112.222 176.269 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.424 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.6 m-85 -67.95 -28.12 67.19 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 124.341 1.056 . . . . 0.0 113.026 173.491 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -55.27 -32.3 62.27 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.586 1.155 . . . . 0.0 113.054 175.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -81.93 -49.6 10.11 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.816 0.846 . . . . 0.0 110.492 179.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -62.04 -42.01 98.73 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.241 1.017 . . . . 0.0 112.137 -179.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.35 -49.84 75.99 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.884 0.874 . . . . 0.0 111.831 177.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -64.78 -22.99 67.1 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 175.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -79.47 -28.29 41.53 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 119.398 0.999 . . . . 0.0 113.034 176.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 52.4 m-80 -78.27 -42.48 30.87 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 167.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.91 -2.03 6.33 Favored Glycine 0 CA--C 1.533 1.174 0 C-N-CA 128.415 2.912 . . . . 0.0 115.269 169.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.1 t -75.91 140.66 16.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 CA-C-N 118.656 1.228 . . . . 0.0 110.023 176.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -161.29 62.48 0.27 Allowed 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 122.69 1.233 . . . . 0.0 113.54 168.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.403 ' H ' HG22 ' A' ' 54' ' ' VAL . . . -82.56 -153.75 13.37 Favored Glycine 0 CA--C 1.535 1.282 0 C-N-CA 125.495 1.522 . . . . 0.0 116.41 174.325 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.22 134.72 55.32 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.191 1.396 . . . . 0.0 109.948 170.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 75.7 m95 -99.34 120.09 39.01 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.989 0.915 . . . . 0.0 112.077 -177.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.83 159.46 23.03 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 127.889 2.476 . . . . 0.0 109.951 -173.638 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -156.38 165.61 35.82 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.138 1.375 . . . . 0.0 111.189 -176.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -145.59 160.61 41.4 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.452 1.901 . . . . 0.0 110.585 -175.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.434 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 29.6 t70 -129.67 0.33 4.91 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 -178.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -85.42 -28.73 24.9 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 121.575 -0.703 . . . . 0.0 110.648 169.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.2 p -134.15 -11.48 2.54 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.371 1.468 . . . . 0.0 113.064 -171.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.434 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 0.9 OUTLIER 63.18 45.8 4.93 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 126.191 1.796 . . . . 0.0 112.543 178.491 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 96.8 m -115.13 107.91 15.94 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.45 1.1 . . . . 0.0 111.776 -173.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -66.73 163.84 18.3 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 122.301 1.048 . . . . 0.0 110.69 168.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 51.6 m -148.57 154.23 39.47 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.093 1.357 . . . . 0.0 107.851 169.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.403 HG22 ' H ' ' A' ' 41' ' ' GLY . 12.8 p -133.81 105.28 7.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 C-N-CA 125.195 1.398 . . . . 0.0 109.759 172.43 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.405 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 79.2 m -105.68 103.49 13.01 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.03 0.932 . . . . 0.0 112.1 -169.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -54.41 133.98 45.66 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 126.267 1.827 . . . . 0.0 113.824 -172.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -97.49 -13.58 44.12 Favored Glycine 0 CA--C 1.537 1.429 0 C-N-CA 124.408 1.004 . . . . 0.0 114.4 177.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.2 m -74.67 29.49 0.09 Allowed 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.964 2.106 . . . . 0.0 114.39 -176.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -79.31 3.53 17.85 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 126.206 1.802 . . . . 0.0 114.562 -177.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -49.38 116.06 1.58 Allowed 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 126.332 1.853 . . . . 0.0 114.135 177.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 60.2 t60 -174.73 171.25 3.24 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 129.605 3.162 . . . . 0.0 108.937 169.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 21.1 p80 -147.8 164.59 33.16 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 119.884 1.22 . . . . 0.0 114.097 172.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -63.42 145.65 55.18 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.837 1.655 . . . . 0.0 112.693 176.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -133.98 15.54 3.89 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 124.76 1.224 . . . . 0.0 113.719 -178.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 23.2 ttm 61.26 22.13 12.52 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 125.297 1.439 . . . . 0.0 114.664 -174.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.495 ' CD2' ' HD3' ' A' ' 67' ' ' ARG . 35.1 p-80 -165.55 178.12 6.93 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 127.693 2.397 . . . . 0.0 109.379 173.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.495 ' HD3' ' CD2' ' A' ' 66' ' ' HIS 0.334 0.0 OUTLIER 41.71 -2.78 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 121.657 3.947 . . . . 0.0 121.657 179.112 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -125.86 -1.12 7.26 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 126.081 1.752 . . . . 0.0 114.071 -173.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 52.0 m -135.77 -174.6 3.7 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 127.419 2.288 . . . . 0.0 110.289 -170.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 77.4 m -49.12 133.52 15.84 Favored Pre-proline 0 CA--C 1.556 1.188 0 CA-C-O 116.793 -1.575 . . . . 0.0 110.175 169.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_exo -52.24 49.29 0.02 OUTLIER 'Trans proline' 0 CA--C 1.557 1.667 1 C-N-CA 127.426 5.417 . . . . 0.0 122.269 -171.247 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.9 20.95 0.06 Allowed 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 126.553 1.941 . . . . 0.0 114.544 169.477 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -61.45 -1.24 0.5 Allowed 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 126.842 2.057 . . . . 0.0 115.685 -175.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 15.1 t -62.81 -10.38 12.85 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 124.477 1.111 . . . . 0.0 112.341 168.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.35 127.02 6.92 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 126.758 2.023 . . . . 0.0 110.592 169.55 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 92.5 t -103.11 135.22 41.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 124.131 0.972 . . . . 0.0 110.352 -170.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -93.35 149.91 20.87 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 124.765 1.226 . . . . 0.0 110.104 169.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.472 HG13 ' HB3' ' A' ' 113' ' ' ALA . 0.5 OUTLIER -151.9 145.43 15.92 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.281 0 CA-C-O 122.503 1.144 . . . . 0.0 112.241 171.734 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -139.77 144.95 15.76 Favored Glycine 0 N--CA 1.468 0.83 0 N-CA-C 109.143 -1.583 . . . . 0.0 109.143 168.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -151.03 152.47 33.53 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 118.469 1.134 . . . . 0.0 113.95 -168.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.1 tp 62.49 -45.83 0.18 Allowed 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 130.2 3.4 . . . . 0.0 113.265 -168.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 134.23 -27.28 3.29 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 127.628 2.537 . . . . 0.0 111.209 -170.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -154.45 27.59 0.45 Allowed 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 125.875 1.67 . . . . 0.0 113.648 -175.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -107.98 152.29 24.67 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 119.742 1.156 . . . . 0.0 113.186 -176.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -156.92 60.93 0.34 Allowed Glycine 0 CA--C 1.529 0.913 0 C-N-CA 125.584 1.564 . . . . 0.0 111.961 -170.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -128.91 125.84 38.42 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.211 1.405 . . . . 0.0 109.214 173.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.5 ptmm? -63.37 -33.71 76.14 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 115.804 1.779 . . . . 0.0 115.804 -175.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.9 m -71.8 -34.75 69.63 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 116.108 1.892 . . . . 0.0 116.108 -167.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -68.48 -48.32 64.78 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 120.562 1.528 . . . . 0.0 110.732 175.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.4 pp -64.85 -33.82 76.92 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 119.57 -0.852 . . . . 0.0 111.82 176.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -57.99 -50.32 73.79 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.011 1.324 . . . . 0.0 112.12 175.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.6 -40.82 93.1 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 119.056 0.843 . . . . 0.0 110.878 174.111 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.21 -42.95 96.22 Favored 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 123.354 0.661 . . . . 0.0 111.795 -178.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.437 ' HB3' ' CZ ' ' A' ' 117' ' ' PHE . 11.7 m-85 -72.05 -62.77 1.31 Allowed 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 125.049 1.34 . . . . 0.0 112.104 175.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -56.31 -20.73 30.46 Favored Glycine 0 CA--C 1.545 1.948 0 N-CA-C 115.415 0.926 . . . . 0.0 115.415 -178.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -53.76 -51.14 64.34 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.796 1.638 . . . . 0.0 113.016 168.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -70.06 -40.75 74.87 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.647 0.779 . . . . 0.0 111.348 178.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -174.35 163.82 34.67 Favored Glycine 0 N--CA 1.472 1.098 0 CA-C-O 118.625 -1.097 . . . . 0.0 113.816 169.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -65.11 128.65 21.05 Favored 'Trans proline' 0 CA--C 1.533 0.442 0 CA-C-N 120.852 2.326 . . . . 0.0 114.36 -168.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.529 HD13 ' CG2' ' A' ' 103' ' ' VAL . 16.7 mt -65.04 154.31 38.15 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.506 1.522 . . . . 0.0 112.156 170.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -108.81 -31.11 7.82 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 126.432 1.893 . . . . 0.0 111.113 171.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 11.5 p -155.64 155.76 33.82 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.472 1.109 . . . . 0.0 111.565 168.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.529 ' CG2' HD13 ' A' ' 100' ' ' LEU . 67.6 t -138.3 135.38 44.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 125.281 1.432 . . . . 0.0 108.677 172.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 83.5 t90 -144.92 142.89 30.24 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 125.045 1.338 . . . . 0.0 111.342 -178.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.439 HG12 ' HB1' ' A' ' 113' ' ' ALA . 1.8 m -141.0 149.94 20.55 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 168.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.05 151.54 22.04 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 116.284 1.957 . . . . 0.0 116.284 -169.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -50.84 -29.25 11.29 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 117.876 2.547 . . . . 0.0 117.876 -169.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.404 ' H ' ' HD2' ' A' ' 109' ' ' PRO . 27.7 t-20 -153.37 -56.08 0.02 OUTLIER Pre-proline 0 CA--C 1.55 0.956 0 N-CA-C 114.876 1.435 . . . . 0.0 114.876 176.516 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.404 ' HD2' ' H ' ' A' ' 108' ' ' ASN . 67.1 Cg_endo -73.46 122.1 7.64 Favored 'Trans proline' 0 CA--C 1.545 1.025 0 C-N-CA 122.002 1.801 . . . . 0.0 111.336 -175.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -81.7 152.12 17.16 Favored 'Trans proline' 0 CA--C 1.542 0.918 0 C-N-CA 122.756 2.304 . . . . 0.0 112.624 -176.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 159.31 -30.1 0.41 Allowed Glycine 0 CA--C 1.533 1.2 0 C-N-CA 124.652 1.12 . . . . 0.0 114.397 169.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -147.21 176.37 10.02 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 125.445 1.498 . . . . 0.0 112.029 -172.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.472 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -170.33 174.81 5.1 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 125.686 1.594 . . . . 0.0 113.108 -167.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -147.83 150.2 33.73 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 113.234 0.827 . . . . 0.0 113.234 172.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.424 HG11 ' CD2' ' A' ' 94' ' ' PHE . 11.4 m -140.24 172.74 11.51 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.302 0 O-C-N 120.99 -1.069 . . . . 0.0 113.759 177.49 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -140.97 144.86 35.35 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 126.554 1.941 . . . . 0.0 108.504 171.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.437 ' CZ ' ' HB3' ' A' ' 94' ' ' PHE . 42.2 m-85 -116.04 158.27 23.4 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.352 1.061 . . . . 0.0 112.911 178.216 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 25.4 tp10 -74.49 -37.03 63.26 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -176.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -115.12 127.75 26.55 Favored Pre-proline 0 CA--C 1.544 0.744 0 C-N-CA 125.002 1.321 . . . . 0.0 107.804 169.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -49.09 -27.69 12.7 Favored 'Trans proline' 0 CA--C 1.537 0.671 0 C-N-CA 123.563 2.842 . . . . 0.0 114.698 169.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -26.81 65.42 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.064 0.946 . . . . 0.0 113.072 171.569 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -66.35 -47.26 74.03 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 119.473 1.033 . . . . 0.0 109.815 169.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.27 -39.84 88.25 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.207 0.603 . . . . 0.0 111.697 174.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.94 -48.52 73.8 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.496 0.719 . . . . 0.0 112.657 175.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -56.13 -45.9 79.41 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 119.228 0.922 . . . . 0.0 111.126 173.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.73 -58.25 8.77 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 124.164 0.985 . . . . 0.0 110.226 -179.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 39.2 t -51.36 -42.56 27.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 124.832 1.253 . . . . 0.0 112.318 175.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -65.68 -23.98 66.9 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.084 1.354 . . . . 0.0 113.762 -179.071 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -111.94 -14.2 13.52 Favored 'General case' 0 CA--C 1.552 1.044 0 N-CA-C 115.076 1.51 . . . . 0.0 115.076 173.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 73.9 mt -102.2 -4.98 24.91 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.124 1.77 . . . . 0.0 115.095 -174.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -56.73 168.77 0.56 Allowed 'General case' 0 CA--C 1.55 0.955 0 CA-C-N 119.549 1.068 . . . . 0.0 113.387 174.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -34.12 16.11 0.0 OUTLIER Glycine 0 N--CA 1.492 2.369 2 C-N-CA 133.29 5.233 . . . . 0.0 124.504 -172.132 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 31.9 mtt180 -69.87 -65.22 0.75 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 129.584 3.154 . . . . 0.0 109.512 177.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.3 t 170.73 173.51 0.07 Allowed 'General case' 0 CA--C 1.539 0.536 1 C-N-CA 132.423 4.289 . . . . 0.0 109.002 169.324 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 57.6 tp -149.91 -58.96 0.2 Allowed 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.328 1.051 . . . . 0.0 111.519 169.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 71.6 m -75.09 -17.12 60.51 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 175.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 114.94 31.47 2.08 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 124.657 1.122 . . . . 0.0 115.515 169.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 44.9 t -149.36 -73.75 0.17 Allowed 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 117.98 0.89 . . . . 0.0 109.731 169.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -126.66 158.78 35.47 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 126.093 1.757 . . . . 0.0 113.257 170.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 3.7 p -143.37 163.52 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.877 1.271 . . . . 0.0 110.85 167.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 35.4 mtp180 -143.37 132.57 23.17 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 129.315 3.046 . . . . 0.0 105.703 168.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 73.5 t -148.26 116.72 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-N 120.023 1.283 . . . . 0.0 108.371 173.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -142.53 -170.15 3.14 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.595 1.158 . . . . 0.0 110.562 -169.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 77.6 mt -103.03 146.68 27.99 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 120.765 -1.209 . . . . 0.0 109.245 168.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 58.7 m -53.33 126.62 21.8 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.569 1.148 . . . . 0.0 113.553 -174.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -154.08 108.3 3.02 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 128.42 2.688 . . . . 0.0 109.307 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -154.49 165.28 31.88 Favored Glycine 0 CA--C 1.537 1.42 0 N-CA-C 115.615 1.006 . . . . 0.0 115.615 -176.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -166.4 121.58 1.18 Allowed 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 127.451 2.3 . . . . 0.0 109.298 -175.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 21.8 mtmm -155.53 150.4 26.47 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 126.59 1.956 . . . . 0.0 111.22 169.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.177 0 C-N-CA 129.028 2.931 . . . . 0.0 111.219 176.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 151' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.475 1 O4'-C1'-N19 112.558 4.358 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 152' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.479 1 P-O3'-C3' 126.59 5.741 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.6 2 N19-C1'-C2' 125.088 7.305 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.674 1 O4'-C1'-N19 113.966 5.766 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.486 1.334 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -90.47 140.81 29.38 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 120.075 1.307 . . . . 0.0 112.286 178.134 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.455 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 94.5 m-85 -127.62 152.64 47.4 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 127.28 2.232 . . . . 0.0 108.799 -177.675 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -109.46 164.77 12.2 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.776 1.23 . . . . 0.0 111.638 -179.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.519 HD11 ' CD2' ' A' ' 7' ' ' LEU . 1.4 tm? -147.71 138.08 23.06 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 127.152 2.181 . . . . 0.0 110.717 178.141 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.6 mp -118.43 114.43 45.0 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 C-N-CA 126.652 1.981 . . . . 0.0 110.728 172.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.519 ' CD2' HD11 ' A' ' 5' ' ' LEU . 80.9 mt -85.84 67.65 10.1 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 126.896 2.078 . . . . 0.0 111.342 172.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 39.8 m-20 -53.22 104.23 0.09 Allowed 'General case' 0 CA--C 1.56 1.333 0 O-C-N 120.775 -1.203 . . . . 0.0 114.174 173.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -153.37 137.36 5.75 Favored Glycine 0 CA--C 1.542 1.761 0 O-C-N 120.38 -1.45 . . . . 0.0 114.171 169.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -45.05 -52.09 9.37 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 116.461 2.023 . . . . 0.0 116.461 -169.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.1 p -100.51 -0.8 37.18 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.957 0.903 . . . . 0.0 113.305 -170.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -146.59 -1.31 0.71 Allowed 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 117.283 2.327 . . . . 0.0 117.283 -167.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.59 145.83 0.59 Allowed 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 115.025 1.491 . . . . 0.0 115.025 -169.146 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -163.68 -164.18 18.21 Favored Glycine 0 CA--C 1.521 0.416 0 N-CA-C 116.79 1.476 . . . . 0.0 116.79 171.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -157.54 159.75 37.48 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 126.122 1.769 . . . . 0.0 111.406 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.4 t -154.77 -175.95 5.68 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 125.736 1.615 . . . . 0.0 109.94 174.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 72.9 p -141.1 170.64 15.34 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 125.68 1.592 . . . . 0.0 110.302 174.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.4 t -157.05 153.53 28.06 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 121.327 -0.858 . . . . 0.0 111.827 172.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -81.37 120.13 24.57 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 167.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -143.24 175.45 9.88 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.915 1.686 . . . . 0.0 112.403 -176.043 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 66.3 t -77.83 -47.47 25.37 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 O-C-N 121.481 -0.762 . . . . 0.0 110.476 169.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.455 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 4.0 t70 176.32 -158.02 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 130.33 3.452 . . . . 0.0 106.412 -177.595 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.02 -20.2 2.29 Favored 'General case' 0 CA--C 1.547 0.853 0 O-C-N 120.239 -1.538 . . . . 0.0 113.957 169.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.4 -8.28 24.76 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.087 1.355 . . . . 0.0 113.821 173.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.3 m -137.69 -36.26 0.63 Allowed 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.802 1.641 . . . . 0.0 112.28 175.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.55 -37.38 87.37 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.779 1.231 . . . . 0.0 110.758 176.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -74.82 4.39 6.49 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 178.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.406 ' HE2' HG23 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -132.48 16.81 4.42 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 120.426 -1.421 . . . . 0.0 111.869 173.743 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.406 HG23 ' HE2' ' A' ' 28' ' ' LYS . 3.8 t -118.14 -51.23 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 125.36 1.464 . . . . 0.0 110.243 178.142 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -62.46 -25.72 68.14 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 177.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -57.31 -27.03 61.81 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.97 1.708 . . . . 0.0 113.537 174.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -79.39 -57.74 3.55 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 175.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -57.4 -41.4 80.22 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.916 0.886 . . . . 0.0 112.67 -177.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.17 -49.28 78.24 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 124.157 0.983 . . . . 0.0 112.532 179.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -65.01 -25.31 67.8 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 178.17 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -80.91 -27.87 36.07 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 59.8 m-80 -81.17 -37.74 28.25 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 168.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.3 9.64 10.28 Favored Glycine 0 CA--C 1.534 1.27 0 C-N-CA 127.911 2.672 . . . . 0.0 115.681 169.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 60.6 t -84.94 149.83 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 124.376 1.07 . . . . 0.0 110.574 170.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -161.69 32.7 0.13 Allowed 'General case' 0 CA--C 1.555 1.138 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 169.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.08 -131.69 0.38 Allowed Glycine 0 CA--C 1.545 1.968 0 N-CA-C 117.364 1.705 . . . . 0.0 117.364 -173.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.417 ' HG2' ' H ' ' A' ' 55' ' ' THR . 7.8 pt-20 -69.7 81.5 0.43 Allowed 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.111 1.364 . . . . 0.0 113.126 -174.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 72.5 m95 -60.4 108.22 0.78 Allowed 'General case' 0 N--CA 1.466 0.345 0 O-C-N 120.191 -1.568 . . . . 0.0 110.449 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.82 164.41 20.08 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 126.607 1.963 . . . . 0.0 111.271 -172.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -149.27 156.95 42.9 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.095 1.358 . . . . 0.0 110.657 175.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -126.78 124.07 38.86 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 125.233 1.413 . . . . 0.0 108.355 171.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.482 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.8 OUTLIER -84.77 -7.07 59.34 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 114.104 1.15 . . . . 0.0 114.104 -173.377 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -101.41 -29.05 12.24 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.333 1.453 . . . . 0.0 112.097 -177.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.8 t -113.22 2.05 15.45 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.496 0.718 . . . . 0.0 112.839 171.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.482 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 4.6 mmpt? 53.95 40.38 31.52 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.009 1.724 . . . . 0.0 112.47 169.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 73.0 m -125.12 114.23 18.76 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.047 1.339 . . . . 0.0 110.096 -170.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -67.47 161.19 25.95 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.538 1.135 . . . . 0.0 111.889 169.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.0 m -146.09 158.95 43.89 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 125.546 1.539 . . . . 0.0 107.834 169.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.5 ' CG1' HD23 ' A' ' 7' ' ' LEU . 14.3 p -153.98 94.15 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 124.979 1.312 . . . . 0.0 110.087 176.291 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.417 ' H ' ' HG2' ' A' ' 42' ' ' GLU . 28.9 m -88.17 108.09 19.1 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.191 0.996 . . . . 0.0 110.95 -178.515 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.46 161.27 2.71 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.477 1.511 . . . . 0.0 112.636 174.353 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -120.25 -36.02 0.83 Allowed Glycine 0 CA--C 1.53 0.985 0 C-N-CA 124.402 1.001 . . . . 0.0 113.813 178.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.3 p -66.91 -33.82 76.43 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.258 1.529 . . . . 0.0 112.853 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -76.0 -7.2 54.09 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 172.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 35.2 m170 -118.6 2.79 11.76 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.914 1.286 . . . . 0.0 114.144 -177.225 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 20.5 p-80 -57.81 -22.08 45.57 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 175.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -122.88 35.08 4.96 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 127.12 2.168 . . . . 0.0 112.507 -179.067 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . 0.327 0.0 OUTLIER 44.87 152.84 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.135 1 C-N-CA 131.916 4.086 . . . . 0.0 118.676 -175.227 . . . . . . . . 4 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -68.49 -32.62 72.72 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 120.653 -1.28 . . . . 0.0 112.985 -172.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 67.8 mmm -146.77 158.56 43.94 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.854 1.662 . . . . 0.0 112.565 -178.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.453 ' CD2' ' HE ' ' A' ' 67' ' ' ARG . 2.4 t60 -143.48 142.85 31.33 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 127.558 2.343 . . . . 0.0 108.446 -175.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.453 ' HE ' ' CD2' ' A' ' 66' ' ' HIS . 1.2 mpt_? 59.01 -13.39 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 127.849 2.46 . . . . 0.0 117.414 -169.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.269 3.8 p30 40.06 -126.25 0.41 Allowed 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 126.514 1.926 . . . . 0.0 113.779 -175.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 42.6 m -152.36 12.4 0.55 Allowed 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 125.455 1.502 . . . . 0.0 113.931 -179.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 52.8 t -124.98 146.01 52.1 Favored Pre-proline 0 CA--C 1.543 0.697 0 C-N-CA 126.255 1.822 . . . . 0.0 109.823 -177.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -50.4 -34.94 43.19 Favored 'Trans proline' 0 CA--C 1.54 0.775 0 C-N-CA 122.626 2.217 . . . . 0.0 113.867 169.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.6 tp 71.79 -21.21 0.22 Allowed 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 127.502 2.321 . . . . 0.0 115.155 178.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 60.73 -23.81 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 130.12 3.368 . . . . 0.0 119.184 168.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 26.0 p -68.6 -21.98 64.48 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 120.603 1.547 . . . . 0.0 113.149 170.127 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 36.4 mttm -85.79 131.83 34.24 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 126.532 1.933 . . . . 0.0 108.793 174.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . 0.252 0.2 OUTLIER -145.12 162.49 13.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 CA-C-O 122.83 1.3 . . . . 0.0 111.002 -169.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -125.51 145.54 50.05 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 128.414 2.686 . . . . 0.0 109.211 -175.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.498 HG13 ' HB3' ' A' ' 113' ' ' ALA . 2.9 p -143.18 136.69 25.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 122.925 0.49 . . . . 0.0 110.83 170.18 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -158.38 179.5 34.01 Favored Glycine 0 N--CA 1.466 0.7 0 N-CA-C 117.259 1.664 . . . . 0.0 117.259 178.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 29.3 t30 55.34 38.37 30.23 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 126.344 1.857 . . . . 0.0 112.518 -168.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 52.3 tp -87.39 -22.1 25.23 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 127.824 2.45 . . . . 0.0 114.294 -174.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 116.52 -171.95 14.01 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 125.13 1.348 . . . . 0.0 112.679 -175.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.3 -6.03 8.75 Favored 'General case' 0 CA--C 1.552 1.038 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 -179.365 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -72.12 64.94 0.56 Allowed 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 125.053 1.341 . . . . 0.0 114.272 -178.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -77.71 41.69 1.94 Allowed Glycine 0 CA--C 1.534 1.226 0 C-N-CA 125.807 1.67 . . . . 0.0 112.036 169.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -132.01 100.65 5.13 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 126.52 1.928 . . . . 0.0 108.078 -179.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.7 ptmm? -46.09 -28.19 1.14 Allowed 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 116.565 2.061 . . . . 0.0 116.565 -169.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 37.6 m -45.38 -49.18 13.27 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 126.165 1.786 . . . . 0.0 114.802 -170.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -75.97 -46.81 27.72 Favored 'General case' 0 CA--C 1.533 0.304 0 O-C-N 121.328 -0.857 . . . . 0.0 111.964 -177.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.413 HD12 ' N ' ' A' ' 91' ' ' GLU . 3.4 pp -64.4 -29.73 70.78 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 119.19 0.905 . . . . 0.0 112.042 176.738 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.413 ' N ' HD12 ' A' ' 90' ' ' LEU . 27.0 tt0 -67.22 -43.5 81.87 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.818 1.647 . . . . 0.0 111.7 176.547 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.3 ppt_? -68.81 -36.93 78.83 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 119.443 1.019 . . . . 0.0 111.27 169.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.14 -37.27 86.54 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 119.337 0.972 . . . . 0.0 111.958 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.419 ' CZ ' HG11 ' A' ' 115' ' ' VAL . 7.4 m-85 -72.75 -65.18 0.83 Allowed 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 125.624 1.57 . . . . 0.0 111.489 172.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.49 -14.79 29.43 Favored Glycine 0 CA--C 1.543 1.824 0 N-CA-C 115.991 1.156 . . . . 0.0 115.991 -178.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -54.14 -48.51 70.76 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.729 1.612 . . . . 0.0 111.827 167.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -64.91 -49.41 70.55 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.641 0.776 . . . . 0.0 109.44 172.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 176.03 166.32 33.22 Favored Glycine 0 N--CA 1.473 1.163 0 N-CA-C 115.741 1.057 . . . . 0.0 115.741 169.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -48.89 151.54 5.43 Favored 'Trans proline' 0 CA--C 1.535 0.539 0 C-N-CA 123.981 3.121 . . . . 0.0 117.943 -168.181 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.404 ' CD2' HG23 ' A' ' 115' ' ' VAL . 13.6 mt -116.23 132.88 56.54 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 127.443 2.297 . . . . 0.0 109.68 -170.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 85.8 mtm-85 -81.43 -35.84 30.15 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.265 0.626 . . . . 0.0 112.46 170.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.7 m -158.52 155.92 29.29 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.742 1.217 . . . . 0.0 112.155 175.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 88.4 t -141.76 134.05 28.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 C-N-CA 125.988 1.715 . . . . 0.0 106.901 169.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 80.6 t90 -136.06 133.91 37.89 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 125.252 1.421 . . . . 0.0 109.3 -177.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.59 HG12 ' HB1' ' A' ' 113' ' ' ALA . 2.4 m -137.58 143.88 32.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 O-C-N 121.428 -0.795 . . . . 0.0 110.575 179.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -80.83 103.09 10.43 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.371 0.669 . . . . 0.0 110.192 179.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -64.71 -32.96 74.87 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.846 1.258 . . . . 0.0 111.986 175.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -67.83 141.27 94.61 Favored Pre-proline 0 CA--C 1.55 0.943 0 C-N-CA 125.699 1.599 . . . . 0.0 109.035 168.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 0.3 OUTLIER 19.99 68.07 0.0 OUTLIER 'Trans proline' 0 CA--C 1.547 1.154 1 C-N-CA 126.76 4.974 . . . . 0.0 116.878 -172.16 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -68.24 157.12 63.17 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 123.885 3.057 . . . . 0.0 113.355 -169.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 160.61 -26.04 0.29 Allowed Glycine 0 CA--C 1.532 1.131 0 C-N-CA 125.304 1.431 . . . . 0.0 112.986 -173.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . 0.255 0.2 OUTLIER -133.06 175.82 9.04 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.758 1.623 . . . . 0.0 112.843 175.834 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.59 ' HB1' HG12 ' A' ' 105' ' ' VAL . . . -164.68 163.97 21.47 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.922 2.089 . . . . 0.0 111.082 -169.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -133.59 156.78 47.23 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.121 1.369 . . . . 0.0 110.863 -178.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.419 HG11 ' CZ ' ' A' ' 94' ' ' PHE . 0.8 OUTLIER -154.65 151.34 10.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 O-C-N 121.386 -0.821 . . . . 0.0 112.074 -168.708 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 53.4 tt0 -138.45 114.11 9.79 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.026 1.33 . . . . 0.0 109.988 169.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -79.68 160.74 26.19 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.634 1.174 . . . . 0.0 113.386 176.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -67.28 -31.74 72.26 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.54 0.736 . . . . 0.0 112.706 171.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -129.57 124.88 22.14 Favored Pre-proline 0 CA--C 1.547 0.844 0 C-N-CA 126.144 1.778 . . . . 0.0 109.589 -174.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -48.57 -29.89 15.01 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 123.609 2.873 . . . . 0.0 114.85 170.255 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -77.04 -27.6 54.54 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.824 0.85 . . . . 0.0 112.63 175.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -68.55 -43.06 77.46 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 120.27 1.396 . . . . 0.0 110.263 168.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.63 -37.46 78.71 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 118.886 -0.578 . . . . 0.0 112.267 169.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.06 -46.31 81.71 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 119.634 1.106 . . . . 0.0 112.823 174.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -57.31 -42.12 81.21 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.166 0.894 . . . . 0.0 111.79 174.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.511 ' HB1' HD12 ' A' ' 130' ' ' LEU . . . -61.71 -52.83 62.66 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.5 0.72 . . . . 0.0 111.486 172.064 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 38.1 t -58.8 -15.8 7.14 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 126.379 1.872 . . . . 0.0 114.272 175.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.76 9.09 12.88 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 125.512 1.525 . . . . 0.0 114.838 178.238 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -135.62 -28.87 1.08 Allowed 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 115.397 1.628 . . . . 0.0 115.397 168.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.511 HD12 ' HB1' ' A' ' 126' ' ' ALA . 96.1 mt -85.5 -9.51 57.33 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.432 1.493 . . . . 0.0 113.216 176.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -68.23 162.83 24.13 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.575 1.95 . . . . 0.0 115.99 -175.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 41.88 -11.53 0.0 OUTLIER Glycine 0 N--CA 1.478 1.457 2 N-CA-C 124.543 4.577 . . . . 0.0 124.543 168.249 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 48.1 mtm-85 -106.91 -78.09 0.59 Allowed 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 121.087 2.443 . . . . 0.0 110.81 -169.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -176.0 176.33 1.79 Allowed 'General case' 0 C--O 1.235 0.313 0 C-N-CA 128.785 2.834 . . . . 0.0 108.727 176.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -151.78 -58.27 0.15 Allowed 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.559 0.744 . . . . 0.0 110.767 172.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 47.6 t -86.34 -51.21 6.38 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.181 0.593 . . . . 0.0 110.546 173.108 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 160.64 57.19 0.01 OUTLIER Glycine 0 C--N 1.343 0.972 0 N-CA-C 115.841 1.097 . . . . 0.0 115.841 175.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 8.2 t -145.3 -129.39 0.08 Allowed 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.441 1.096 . . . . 0.0 111.894 171.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.62 59.07 1.71 Allowed 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 127.223 2.209 . . . . 0.0 109.648 -174.059 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -58.05 159.59 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 C-N-CA 128.312 2.645 . . . . 0.0 113.748 -169.302 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.16 143.84 23.57 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 128.223 2.609 . . . . 0.0 107.492 177.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 95.7 t -142.63 128.81 17.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 N-CA-C 107.853 -1.166 . . . . 0.0 107.853 -169.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -138.54 169.6 17.51 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 119.139 0.881 . . . . 0.0 111.565 -178.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -104.82 151.76 23.42 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 120.915 -1.116 . . . . 0.0 111.772 176.401 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.6 p -33.69 97.98 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 128.178 2.591 . . . . 0.0 116.392 -173.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -151.0 36.55 0.61 Allowed 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 125.2 1.4 . . . . 0.0 112.181 179.213 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -133.9 -51.09 0.08 OUTLIER Glycine 0 CA--C 1.535 1.318 0 C-N-CA 125.38 1.467 . . . . 0.0 113.599 -176.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -144.11 -59.92 0.39 Allowed 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.924 0.89 . . . . 0.0 111.321 169.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . 0.323 0.1 OUTLIER 57.85 166.91 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 129.238 3.015 . . . . 0.0 114.014 -169.127 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 . . . . . 0 C--O 1.253 1.238 0 CA-C-O 117.396 -1.288 . . . . 0.0 110.914 -169.236 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 151' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.025 0 C2'-C3'-O3' 121.944 3.909 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 152' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.687 3 O4'-C1'-N19 114.16 5.96 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.834 3 C3'-C2'-C1' 105.895 4.883 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.864 2 O4'-C1'-N19 113.902 5.702 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ptt? . . . . . 0 N--CA 1.485 1.313 0 N-CA-C 110.713 -0.106 . . . . 0.0 110.713 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -83.43 144.36 29.65 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 120.69 -1.256 . . . . 0.0 112.606 179.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.444 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 85.3 m-85 -126.8 156.52 41.14 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 127.791 2.436 . . . . 0.0 108.851 177.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -108.89 160.32 16.09 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.965 1.306 . . . . 0.0 111.544 -179.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.667 HD22 ' HB3' ' A' ' 30' ' ' PHE . 18.1 tp -141.75 137.77 31.85 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 126.481 1.912 . . . . 0.0 109.442 171.661 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mp -111.93 139.96 33.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 126.128 1.771 . . . . 0.0 107.584 169.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.477 ' HB3' HG21 ' A' ' 39' ' ' VAL . 3.3 mp -123.23 66.96 0.99 Allowed 'General case' 0 N--CA 1.444 -0.748 0 C-N-CA 128.994 2.917 . . . . 0.0 108.214 -177.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -60.42 37.08 0.01 OUTLIER 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 126.747 2.019 . . . . 0.0 115.653 174.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.42 ' HA3' HG22 ' A' ' 39' ' ' VAL . . . -70.39 96.45 0.56 Allowed Glycine 0 CA--C 1.523 0.569 0 O-C-N 119.992 -1.692 . . . . 0.0 111.857 176.217 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.6 tttm -7.13 -65.98 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 129.235 3.014 . . . . 0.0 116.677 178.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 80.1 m -83.7 -23.21 31.77 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -169.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.3 pp -119.37 -24.21 6.44 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 115.59 1.7 . . . . 0.0 115.59 -168.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 0.75 140.39 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.101 1 C-N-CA 133.002 4.521 . . . . 0.0 121.375 -169.502 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -171.86 -158.52 16.14 Favored Glycine 0 CA--C 1.537 1.43 0 N-CA-C 118.778 2.271 . . . . 0.0 118.778 169.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -156.77 161.55 39.78 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 126.71 2.004 . . . . 0.0 112.733 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.7 t -160.28 -175.78 5.25 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 126.97 2.108 . . . . 0.0 110.839 -177.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 67.2 p -144.66 170.58 15.81 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 126.313 1.845 . . . . 0.0 111.246 175.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.2 t -156.63 150.5 24.88 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.065 0.946 . . . . 0.0 111.621 171.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.3 tp10 -76.31 120.01 20.98 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 167.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -140.9 175.13 9.86 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.174 1.39 . . . . 0.0 112.972 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 90.0 t -78.7 -47.42 23.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 O-C-N 121.283 -0.885 . . . . 0.0 110.685 169.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.444 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 5.2 t70 176.22 -156.48 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 131.184 3.794 . . . . 0.0 106.083 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.76 -20.18 2.02 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 120.937 1.699 . . . . 0.0 114.004 169.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.69 -7.93 18.07 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.581 1.152 . . . . 0.0 113.733 172.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 52.1 m -138.9 -39.13 0.5 Allowed 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.9 1.68 . . . . 0.0 112.249 176.1 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.86 -39.56 90.87 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.071 1.348 . . . . 0.0 110.86 178.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -73.9 2.14 9.2 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 178.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.33 19.43 4.83 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 125.101 1.36 . . . . 0.0 111.708 173.448 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.2 t -121.09 -51.95 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 125.285 1.434 . . . . 0.0 109.943 177.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.667 ' HB3' HD22 ' A' ' 5' ' ' LEU . 23.3 m-85 -60.72 -28.65 68.83 Favored 'General case' 0 C--O 1.224 -0.247 0 C-N-CA 123.245 0.618 . . . . 0.0 112.585 176.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -54.78 -31.08 58.36 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.482 1.113 . . . . 0.0 113.084 176.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -83.94 -49.97 8.47 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.46 0.704 . . . . 0.0 110.825 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -62.46 -40.35 96.35 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.156 0.982 . . . . 0.0 111.736 179.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.49 -42.87 95.6 Favored 'General case' 0 N--CA 1.452 -0.351 0 O-C-N 121.19 -0.944 . . . . 0.0 112.549 178.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -67.56 -21.08 65.46 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 172.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -82.13 -30.37 31.15 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.428 1.013 . . . . 0.0 112.864 175.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -75.31 -43.47 50.68 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 168.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.05 3.5 8.18 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 128.753 3.073 . . . . 0.0 114.817 169.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.477 HG21 ' HB3' ' A' ' 7' ' ' LEU . 4.6 t -81.23 140.8 16.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 CA-C-N 118.528 1.164 . . . . 0.0 110.634 -179.58 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -159.54 47.65 0.29 Allowed 'General case' 0 CA--C 1.554 1.1 0 CA-C-O 122.286 1.041 . . . . 0.0 113.131 171.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -89.98 -130.29 4.17 Favored Glycine 0 CA--C 1.539 1.56 0 C-N-CA 125.27 1.414 . . . . 0.0 114.668 176.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -67.53 82.94 0.17 Allowed 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 124.947 1.299 . . . . 0.0 114.028 -172.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -63.34 104.0 0.56 Allowed 'General case' 0 N--CA 1.471 0.579 0 O-C-N 119.907 -1.746 . . . . 0.0 110.747 177.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 64.7 m -128.06 161.42 29.24 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 127.385 2.274 . . . . 0.0 109.46 -169.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -156.07 164.49 38.36 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.854 1.661 . . . . 0.0 110.301 -174.063 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -142.71 153.21 43.15 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.131 1.772 . . . . 0.0 110.205 -173.348 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.416 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -124.83 5.12 8.08 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 -177.388 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -93.15 -29.74 15.59 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.926 1.291 . . . . 0.0 110.486 169.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -130.41 -7.87 4.2 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.572 0.952 . . . . 0.0 113.572 -176.23 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.416 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 1.7 mmpt? 60.56 45.52 10.46 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.048 1.739 . . . . 0.0 112.763 179.327 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 72.4 m -119.11 111.76 18.67 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.072 0.949 . . . . 0.0 111.538 -173.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -65.37 159.92 23.01 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 122.059 0.933 . . . . 0.0 111.361 168.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.8 m -146.45 150.55 35.83 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 125.35 1.46 . . . . 0.0 108.35 170.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.3 p -146.94 122.99 2.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 C-N-CA 126.181 1.793 . . . . 0.0 107.872 173.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.8 m -126.53 99.22 5.72 Favored 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -169.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.42 146.91 24.97 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.61 0.764 . . . . 0.0 111.108 169.314 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -148.22 -14.63 0.12 Allowed Glycine 0 CA--C 1.536 1.377 0 C-N-CA 125.205 1.383 . . . . 0.0 116.1 174.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.5 m -168.0 -11.75 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.237 0 CA-C-N 120.053 1.926 . . . . 0.0 115.503 -179.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 54.8 m80 -62.5 -24.6 67.57 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 120.387 1.449 . . . . 0.0 112.94 -178.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 28.3 t-80 -61.46 99.08 0.1 Allowed 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.711 1.204 . . . . 0.0 109.45 168.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 19.5 t-80 -55.11 -36.74 66.02 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.107 1.363 . . . . 0.0 113.648 -173.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -84.82 23.44 1.18 Allowed 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.774 1.23 . . . . 0.0 114.069 -172.02 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -53.19 -31.57 43.61 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 121.197 -0.939 . . . . 0.0 112.285 168.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -148.2 148.08 30.13 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.562 1.545 . . . . 0.0 110.517 168.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.5 mtp -176.72 -49.39 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 126.99 2.116 . . . . 0.0 109.285 171.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -158.56 137.78 11.54 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 127.637 2.375 . . . . 0.0 108.511 174.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.86 118.04 7.3 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.206 1.003 . . . . 0.0 108.808 175.6 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.1 p30 -134.88 -40.09 0.77 Allowed 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.333 1.853 . . . . 0.0 111.79 -172.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.2 m -159.01 132.11 7.13 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 127.396 2.278 . . . . 0.0 108.889 169.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 18.2 p -122.83 144.75 43.6 Favored Pre-proline 0 CA--C 1.549 0.92 0 C-N-CA 124.769 1.228 . . . . 0.0 111.367 -177.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.17 -37.61 1.42 Allowed 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 122.608 2.205 . . . . 0.0 113.794 -169.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.57 147.21 27.7 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.253 1.421 . . . . 0.0 113.318 178.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . 0.257 65.4 m-20 -85.02 28.25 0.72 Allowed 'General case' 0 N--CA 1.478 0.926 0 O-C-N 120.421 -1.424 . . . . 0.0 114.635 -171.301 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 77.6 m -65.67 -16.52 63.82 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.621 1.568 . . . . 0.0 112.758 168.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 11.0 ptpp? -58.27 55.07 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 131.085 3.754 . . . . 0.0 116.172 -177.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.7 t -66.37 141.59 17.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 O-C-N 120.763 -1.211 . . . . 0.0 110.677 175.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -97.94 156.89 16.41 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 125.039 1.335 . . . . 0.0 110.38 171.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -156.25 159.28 2.85 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.272 0 CA-C-O 121.978 0.894 . . . . 0.0 112.355 175.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -151.67 155.07 25.94 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 124.478 1.037 . . . . 0.0 113.215 169.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -98.94 -179.05 4.14 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.907 1.683 . . . . 0.0 112.008 -172.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -49.61 -17.29 0.3 Allowed 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 128.305 2.642 . . . . 0.0 116.747 -175.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 166.62 -154.15 24.42 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 125.773 1.654 . . . . 0.0 111.614 -171.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -67.51 37.98 0.03 OUTLIER 'General case' 0 CA--C 1.557 1.237 0 C-N-CA 126.921 2.089 . . . . 0.0 115.197 174.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -142.75 129.89 20.86 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.438 1.895 . . . . 0.0 108.975 174.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -153.74 137.82 5.95 Favored Glycine 0 N--CA 1.467 0.762 0 C-N-CA 124.601 1.096 . . . . 0.0 112.859 -173.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -155.61 143.88 20.11 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.047 1.739 . . . . 0.0 108.438 173.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.3 ptmm? -62.39 -27.47 69.1 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 -179.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 32.4 m -47.19 -58.58 3.91 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 125.579 1.552 . . . . 0.0 113.997 -170.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.92 -56.07 17.95 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 122.783 0.433 . . . . 0.0 110.238 -176.334 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.7 pp -64.6 -33.32 75.65 Favored 'General case' 0 C--O 1.218 -0.561 0 O-C-N 123.284 0.365 . . . . 0.0 111.254 -174.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -60.99 -46.86 89.03 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 125.509 1.524 . . . . 0.0 112.121 175.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.68 -35.84 75.47 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 119.442 1.019 . . . . 0.0 112.249 171.595 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.61 -38.95 93.07 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 118.872 0.76 . . . . 0.0 112.062 -179.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.618 ' HB2' HD11 ' A' ' 100' ' ' LEU . 10.6 m-85 -72.54 -60.67 2.12 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 125.964 1.705 . . . . 0.0 111.742 174.494 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -64.5 -15.07 58.83 Favored Glycine 0 CA--C 1.54 1.646 0 C-N-CA 120.682 -0.77 . . . . 0.0 114.932 -175.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -53.44 -46.88 70.03 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.331 1.452 . . . . 0.0 111.822 167.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -70.73 -45.93 63.97 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.856 0.862 . . . . 0.0 110.605 174.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -175.13 153.88 16.69 Favored Glycine 0 N--CA 1.477 1.407 0 CA-C-O 118.253 -1.304 . . . . 0.0 115.116 171.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -50.4 155.98 4.48 Favored 'Trans proline' 0 CA--C 1.539 0.732 0 C-N-CA 123.416 2.744 . . . . 0.0 116.668 -169.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.618 HD11 ' HB2' ' A' ' 94' ' ' PHE . 17.4 mt -118.04 143.34 46.5 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.272 1.829 . . . . 0.0 110.471 -173.502 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 21.4 ttp-105 -100.49 -38.34 8.43 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.795 1.638 . . . . 0.0 111.993 -179.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 14.4 m -143.18 147.08 34.33 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 125.194 1.397 . . . . 0.0 110.186 171.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.572 ' CG2' HD13 ' A' ' 100' ' ' LEU . 11.2 t -147.36 130.24 8.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 N-CA-C 106.964 -1.495 . . . . 0.0 106.964 175.13 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 87.2 t90 -146.55 145.37 30.11 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 123.904 0.881 . . . . 0.0 111.348 -169.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -143.48 141.04 26.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 O-C-N 121.452 -0.78 . . . . 0.0 108.957 168.512 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -65.42 115.24 5.47 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-O 120.984 0.421 . . . . 0.0 110.865 -172.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.4 -16.97 62.42 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 115.835 1.791 . . . . 0.0 115.835 -171.343 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 -101.26 -25.08 0.22 Allowed Pre-proline 0 CA--C 1.557 1.215 0 N-CA-C 114.614 1.339 . . . . 0.0 114.614 -177.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -125.57 59.06 0.0 OUTLIER 'Trans proline' 0 CA--C 1.555 1.529 0 C-N-CA 125.013 3.809 . . . . 0.0 109.147 168.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -60.72 132.47 42.95 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 123.465 2.777 . . . . 0.0 112.657 -169.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 142.99 -15.05 2.37 Favored Glycine 0 CA--C 1.539 1.562 0 C-N-CA 125.151 1.358 . . . . 0.0 114.032 -172.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -122.8 140.33 53.03 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 128.505 2.722 . . . . 0.0 106.713 177.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -146.59 172.99 12.74 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.09 1.356 . . . . 0.0 114.102 -168.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -144.76 158.88 43.61 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.949 1.7 . . . . 0.0 113.265 176.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.539 HG21 ' CD2' ' A' ' 94' ' ' PHE . 1.4 t -145.06 159.24 13.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 125.481 1.512 . . . . 0.0 112.473 -179.36 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 75.8 tt0 -140.53 104.1 4.68 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 126.701 2.001 . . . . 0.0 109.408 169.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.431 ' CZ ' ' HB3' ' A' ' 94' ' ' PHE . 9.3 m-85 -78.87 157.04 28.39 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 -179.444 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -88.25 8.68 26.08 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 126.097 1.759 . . . . 0.0 113.495 173.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -159.62 131.61 4.2 Favored Pre-proline 0 CA--C 1.547 0.856 0 O-C-N 120.651 -1.281 . . . . 0.0 111.864 176.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_endo -74.93 -28.57 9.19 Favored 'Trans proline' 0 CA--C 1.539 0.728 0 C-N-CA 122.778 2.319 . . . . 0.0 114.212 -175.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . 0.251 0.0 OUTLIER -82.93 -27.3 30.67 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 119.94 1.245 . . . . 0.0 112.527 176.79 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -73.96 -36.19 64.57 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 119.15 0.886 . . . . 0.0 110.504 169.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.89 -41.16 95.48 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 118.875 0.761 . . . . 0.0 111.17 169.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.84 -44.72 88.86 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.796 -0.565 . . . . 0.0 112.175 173.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -62.45 -37.58 86.46 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.09 0.956 . . . . 0.0 112.187 177.053 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.86 -55.49 25.71 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.877 1.271 . . . . 0.0 110.256 172.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 42.3 t -52.87 -30.77 16.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 124.878 1.271 . . . . 0.0 112.946 172.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -79.22 -23.53 43.71 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 127.272 2.229 . . . . 0.0 113.387 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -124.97 1.09 8.0 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 -176.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 96.1 mt -114.2 13.58 17.99 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.726 1.61 . . . . 0.0 112.731 179.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -53.17 156.62 2.16 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 126.302 1.841 . . . . 0.0 115.521 -177.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -49.46 -6.0 0.06 OUTLIER Glycine 0 CA--C 1.543 1.782 0 N-CA-C 122.315 3.686 . . . . 0.0 122.315 -168.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.416 ' HD2' ' H ' ' A' ' 134' ' ' THR . 1.4 ppt_? -70.95 -39.27 72.71 Favored 'General case' 0 N--CA 1.482 1.155 0 CA-C-N 119.853 1.826 . . . . 0.0 114.702 -173.496 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.416 ' H ' ' HD2' ' A' ' 133' ' ' ARG . 1.3 m 174.55 138.64 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 128.172 2.589 . . . . 0.0 110.111 -175.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 49.0 tp -147.14 -58.91 0.27 Allowed 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 126.071 1.748 . . . . 0.0 108.288 168.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 75.2 m -70.88 -41.91 70.71 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.387 1.075 . . . . 0.0 112.251 171.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 161.0 -2.04 0.08 OUTLIER Glycine 0 CA--C 1.538 1.526 0 N-CA-C 117.715 1.846 . . . . 0.0 117.715 169.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 6.2 t -149.47 -157.12 0.78 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 126.19 1.796 . . . . 0.0 109.129 178.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -41.0 109.63 0.12 Allowed 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 126.86 2.064 . . . . 0.0 110.848 171.148 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 27.5 m -114.96 -178.32 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 124.315 1.046 . . . . 0.0 110.503 169.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.89 148.68 32.05 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.651 1.181 . . . . 0.0 109.933 169.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 54.0 t -152.08 124.74 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 N-CA-C 105.797 -1.927 . . . . 0.0 105.797 167.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -149.79 -160.84 1.23 Allowed 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.196 0.907 . . . . 0.0 110.964 -174.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 98.2 mt -120.79 142.97 49.09 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 120.754 -1.216 . . . . 0.0 109.416 172.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 22.8 t -40.51 136.42 1.32 Allowed 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 115.699 1.74 . . . . 0.0 115.699 -173.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 1.1 t30 68.28 89.19 0.1 Allowed 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 129.601 3.16 . . . . 0.0 113.577 -177.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -157.65 -38.97 0.02 OUTLIER Glycine 0 CA--C 1.546 1.977 0 N-CA-C 118.138 2.015 . . . . 0.0 118.138 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -155.7 -174.87 5.15 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-N 119.944 1.872 . . . . 0.0 110.24 -177.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . 0.446 0.1 OUTLIER -139.2 56.25 1.68 Allowed 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 117.789 2.514 . . . . 0.0 117.789 169.418 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 39.2 mmt-85 . . . . . 0 C--O 1.252 1.222 0 C-N-CA 128.246 2.618 . . . . 0.0 112.824 178.389 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 151' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.82 2 O4'-C1'-N19 112.648 4.448 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 152' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.292 2 C4'-C3'-C2' 97.377 -5.323 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.144 3 N19-C1'-C2' 124.727 7.079 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.596 2 O4'-C1'-N19 114.417 6.217 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.2 tpp . . . . . 0 N--CA 1.483 1.223 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -81.45 145.85 30.55 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 120.012 1.278 . . . . 0.0 111.949 174.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.433 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 92.5 m-85 -129.58 150.07 51.07 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 127.63 2.372 . . . . 0.0 108.962 179.195 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -101.13 161.97 13.23 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.794 1.238 . . . . 0.0 111.325 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.621 HD22 ' HB3' ' A' ' 30' ' ' PHE . 13.9 tp -142.96 140.18 30.97 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 126.642 1.977 . . . . 0.0 109.859 171.096 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mp -112.96 134.37 55.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.843 1.657 . . . . 0.0 109.204 169.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.3 mp -110.91 66.44 0.63 Allowed 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 127.779 2.432 . . . . 0.0 109.414 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -60.77 89.28 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 124.172 0.989 . . . . 0.0 110.918 169.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -146.16 158.61 27.75 Favored Glycine 0 N--CA 1.47 0.941 0 O-C-N 120.828 -1.17 . . . . 0.0 114.561 178.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.12 131.21 36.35 Favored 'General case' 0 CA--C 1.504 -0.797 0 C-N-CA 124.968 1.307 . . . . 0.0 114.479 -168.253 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.4 m 61.61 -21.59 0.04 OUTLIER 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 128.571 2.748 . . . . 0.0 114.98 172.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.2 pp -104.38 -40.8 5.95 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 116.111 1.893 . . . . 0.0 116.111 -167.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 11.41 147.81 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.05 1 C-N-CA 133.399 4.68 . . . . 0.0 120.886 -168.449 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -168.63 -163.53 22.79 Favored Glycine 0 N--CA 1.473 1.133 0 N-CA-C 119.006 2.363 . . . . 0.0 119.006 169.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -155.6 158.09 37.81 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 126.249 1.82 . . . . 0.0 112.213 174.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.0 t -157.73 -177.46 6.59 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 126.639 1.976 . . . . 0.0 110.292 -174.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 75.9 p -143.82 169.34 17.97 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.318 1.447 . . . . 0.0 111.11 174.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.7 t -154.67 152.58 30.12 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.397 1.079 . . . . 0.0 111.278 172.062 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.2 tp10 -79.94 117.44 20.79 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.795 0.838 . . . . 0.0 108.749 168.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -138.57 178.76 6.9 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.229 1.412 . . . . 0.0 113.363 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.8 t -79.48 -49.0 20.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 O-C-N 121.258 -0.901 . . . . 0.0 110.532 169.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.433 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 5.2 t70 176.75 -157.0 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 131.101 3.76 . . . . 0.0 105.8 -179.03 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.86 -19.94 1.99 Allowed 'General case' 0 CA--C 1.549 0.909 0 O-C-N 119.94 -1.725 . . . . 0.0 113.934 169.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.75 -8.18 19.78 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.479 1.112 . . . . 0.0 113.999 172.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.9 m -140.52 -37.17 0.46 Allowed 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.357 1.463 . . . . 0.0 112.239 176.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.6 -38.16 86.41 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.639 1.176 . . . . 0.0 110.931 177.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -72.91 2.26 7.18 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 114.515 1.302 . . . . 0.0 114.515 178.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.422 ' HE3' HG23 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -131.94 18.58 4.6 Favored 'General case' 0 C--O 1.226 -0.18 0 C-N-CA 124.871 1.269 . . . . 0.0 111.793 173.158 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.422 HG23 ' HE3' ' A' ' 28' ' ' LYS . 4.3 t -117.48 -52.1 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 124.799 1.24 . . . . 0.0 110.062 175.661 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.621 ' HB3' HD22 ' A' ' 5' ' ' LEU . 24.3 m-85 -60.67 -28.64 68.76 Favored 'General case' 0 C--O 1.225 -0.2 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.918 178.17 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -54.73 -31.43 58.26 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.206 1.002 . . . . 0.0 112.811 174.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -79.77 -53.0 7.21 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 118.729 0.695 . . . . 0.0 110.948 176.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -62.51 -42.54 99.58 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.281 1.032 . . . . 0.0 111.822 -175.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.36 -48.33 78.38 Favored 'General case' 0 N--CA 1.45 -0.442 0 O-C-N 121.353 -0.842 . . . . 0.0 112.396 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -67.36 -16.27 64.15 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 176.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -83.91 -31.34 25.7 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.314 0.961 . . . . 0.0 112.888 173.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 58.8 m-80 -74.16 -37.33 64.02 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 168.136 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 120.35 -3.52 12.47 Favored Glycine 0 N--CA 1.438 -1.194 0 C-N-CA 128.472 2.939 . . . . 0.0 114.096 171.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.8 t -76.86 138.38 20.69 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.764 0 CA-C-N 118.908 1.354 . . . . 0.0 109.417 175.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -157.24 35.44 0.28 Allowed 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 173.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.63 -161.16 0.05 OUTLIER Glycine 0 CA--C 1.528 0.876 0 N-CA-C 117.065 1.586 . . . . 0.0 117.065 174.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.97 123.02 15.17 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.607 0.763 . . . . 0.0 109.365 171.571 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 77.1 m95 -90.43 123.43 34.14 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.097 0.959 . . . . 0.0 111.171 -178.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.97 162.32 23.64 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 127.77 2.428 . . . . 0.0 110.193 -172.236 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -153.77 168.65 25.57 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.322 1.449 . . . . 0.0 110.533 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -144.87 164.46 31.02 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.114 1.766 . . . . 0.0 110.524 -177.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.412 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 22.9 t70 -133.11 -1.95 3.22 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 -179.437 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.07 -28.79 32.18 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.63 -0.669 . . . . 0.0 110.339 169.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.5 p -135.09 -12.34 2.18 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.703 1.601 . . . . 0.0 113.08 -172.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.412 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 0.8 OUTLIER 63.34 46.92 4.19 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.807 1.643 . . . . 0.0 112.235 177.201 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 74.7 m -116.46 110.63 18.88 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.019 1.328 . . . . 0.0 111.487 -173.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -64.57 162.09 16.21 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 122.231 1.015 . . . . 0.0 111.145 168.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 24.3 m -147.96 155.78 41.94 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 169.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.5 p -138.6 109.41 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 C-N-CA 125.602 1.561 . . . . 0.0 107.874 170.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 98.6 m -114.09 102.67 10.38 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.731 1.212 . . . . 0.0 111.621 -169.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -95.15 140.37 30.17 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 127.216 2.206 . . . . 0.0 112.316 -169.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -157.68 45.61 0.48 Allowed Glycine 0 N--CA 1.47 0.909 0 C-N-CA 125.747 1.641 . . . . 0.0 110.216 174.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.4 p 172.54 13.75 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 127.893 2.477 . . . . 0.0 113.734 -169.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 63.34 -40.62 0.2 Allowed 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 128.843 2.857 . . . . 0.0 114.865 -169.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 83.6 m-70 -141.6 148.19 38.86 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.828 1.651 . . . . 0.0 111.402 178.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 50.3 p-80 -62.67 -28.19 69.76 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.381 -0.825 . . . . 0.0 112.98 169.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -65.64 -18.12 65.1 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 170.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -72.9 -11.43 60.58 Favored 'General case' 0 CA--C 1.547 0.841 0 O-C-N 120.91 -1.119 . . . . 0.0 113.092 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 60.5 m80 -58.26 -18.5 27.11 Favored 'General case' 0 N--CA 1.479 1.016 0 O-C-N 119.425 -2.047 . . . . 0.0 113.802 172.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -78.96 -1.03 33.42 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 125.938 1.695 . . . . 0.0 114.249 171.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 16.2 t-80 -134.83 118.68 17.26 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.857 1.663 . . . . 0.0 111.699 -176.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -64.22 -39.24 93.55 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 115.626 1.713 . . . . 0.0 115.626 -172.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -80.27 58.96 3.23 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.614 1.166 . . . . 0.0 112.126 -174.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -79.1 64.8 4.1 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.881 1.272 . . . . 0.0 111.713 175.148 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 82.6 m -50.71 -29.57 2.89 Favored Pre-proline 0 CA--C 1.552 1.038 0 N-CA-C 116.577 2.066 . . . . 0.0 116.577 179.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -49.0 -38.49 39.34 Favored 'Trans proline' 0 C--N 1.358 1.038 0 C-N-CA 123.036 2.491 . . . . 0.0 115.287 172.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -174.03 141.01 0.74 Allowed 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.066 1.346 . . . . 0.0 112.486 169.687 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -66.62 149.98 49.69 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 167.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 73.1 m -132.11 39.5 3.42 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.29 1.436 . . . . 0.0 111.041 -175.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 58.4 mttp 67.18 154.82 0.1 Allowed 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 127.535 2.334 . . . . 0.0 110.379 -167.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . 0.293 0.5 OUTLIER -124.5 132.68 70.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 CA-C-O 122.731 1.253 . . . . 0.0 111.2 176.565 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -84.59 145.82 27.84 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 126.363 1.865 . . . . 0.0 109.773 176.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.573 HG13 ' HB3' ' A' ' 113' ' ' ALA . 1.3 p -143.84 133.72 20.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 121.194 0.521 . . . . 0.0 110.665 170.195 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -156.32 -178.48 30.5 Favored Glycine 0 N--CA 1.469 0.874 0 N-CA-C 116.199 1.24 . . . . 0.0 116.199 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 42.7 t30 41.71 49.63 3.83 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.873 2.069 . . . . 0.0 113.402 -168.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.1 pp -100.21 -175.86 3.06 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 125.421 1.488 . . . . 0.0 110.103 169.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -52.62 149.4 10.49 Favored Glycine 0 CA--C 1.541 1.675 0 O-C-N 121.325 -0.859 . . . . 0.0 114.279 -178.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -75.5 35.31 0.12 Allowed 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 125.473 1.509 . . . . 0.0 114.05 -172.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -130.99 26.99 4.91 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.842 2.057 . . . . 0.0 110.976 -176.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -30.3 95.65 0.01 OUTLIER Glycine 0 N--CA 1.474 1.208 0 C-N-CA 128.455 2.931 . . . . 0.0 114.769 175.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -150.16 145.63 26.4 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 127.572 2.349 . . . . 0.0 106.835 178.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.0 ptmm? -59.51 -27.19 65.94 Favored 'General case' 0 C--O 1.22 -0.468 0 N-CA-C 115.239 1.57 . . . . 0.0 115.239 -175.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 85.5 m -45.98 -63.97 0.85 Allowed 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 115.769 1.766 . . . . 0.0 115.769 -169.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -71.82 -47.79 50.78 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 119.992 1.269 . . . . 0.0 111.136 -176.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.1 pp -60.83 -34.45 74.58 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-N 119.361 0.982 . . . . 0.0 112.211 -179.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -64.6 -46.0 84.55 Favored 'General case' 0 C--O 1.236 0.343 0 O-C-N 120.778 -1.202 . . . . 0.0 111.987 175.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.02 -36.55 84.74 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 119.543 1.065 . . . . 0.0 111.902 170.488 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -68.58 -39.76 80.81 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.134 0.974 . . . . 0.0 112.421 -176.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.514 ' CE2' HG11 ' A' ' 115' ' ' VAL . 14.6 m-85 -71.26 -61.74 1.66 Allowed 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 125.059 1.344 . . . . 0.0 110.819 173.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -58.7 -18.32 38.12 Favored Glycine 0 CA--C 1.548 2.101 0 N-CA-C 115.486 0.954 . . . . 0.0 115.486 179.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -55.85 -50.26 71.08 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.684 1.594 . . . . 0.0 112.559 168.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -63.99 -41.67 97.44 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.149 0.58 . . . . 0.0 110.02 173.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 176.25 157.62 17.87 Favored Glycine 0 N--CA 1.475 1.278 0 CA-C-O 118.495 -1.17 . . . . 0.0 114.373 168.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_exo -49.31 130.51 25.08 Favored 'Trans proline' 0 CA--C 1.531 0.349 0 C-N-CA 123.229 2.619 . . . . 0.0 116.455 -169.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.526 HD13 ' CG2' ' A' ' 103' ' ' VAL . 18.0 mt -72.88 167.47 20.91 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 113.438 -1.71 . . . . 0.0 111.446 169.621 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -123.64 -23.8 4.66 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.063 1.745 . . . . 0.0 111.834 171.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.5 t -161.71 156.97 23.69 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.129 1.372 . . . . 0.0 111.68 168.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.526 ' CG2' HD13 ' A' ' 100' ' ' LEU . 60.3 t -145.82 131.99 13.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 126.241 1.816 . . . . 0.0 108.421 178.376 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 90.7 t90 -142.18 143.73 33.08 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.29 1.436 . . . . 0.0 110.988 -176.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -143.29 148.44 19.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 O-C-N 121.114 -0.991 . . . . 0.0 110.496 172.369 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -74.7 153.94 38.65 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 -175.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.11 -41.23 64.24 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.714 0.806 . . . . 0.0 112.354 171.639 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -64.21 150.16 93.01 Favored Pre-proline 0 CA--C 1.55 0.951 0 C-N-CA 126.035 1.734 . . . . 0.0 110.41 177.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . 0.262 0.1 OUTLIER 0.93 79.02 0.0 OUTLIER 'Trans proline' 0 C--N 1.357 1.01 1 C-N-CA 127.928 5.752 . . . . 0.0 117.103 -169.114 . . . . . . . . 4 3 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -68.35 86.8 0.41 Allowed 'Trans proline' 0 C--N 1.355 0.919 0 C-N-CA 124.912 3.741 . . . . 0.0 113.987 -169.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -148.58 23.5 1.34 Allowed Glycine 0 CA--C 1.543 1.784 0 C-N-CA 127.156 2.312 . . . . 0.0 112.341 169.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -151.95 148.67 28.03 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 128.957 2.903 . . . . 0.0 108.829 -168.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.573 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -162.18 170.77 18.5 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.031 1.332 . . . . 0.0 112.313 -170.551 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -142.89 145.08 32.75 Favored 'General case' 0 N--CA 1.48 1.038 0 O-C-N 121.468 -0.77 . . . . 0.0 111.741 170.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.514 HG11 ' CE2' ' A' ' 94' ' ' PHE . 32.8 m -138.01 170.08 17.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 CA-C-O 122.214 1.007 . . . . 0.0 113.367 -174.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -147.99 128.31 13.9 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 126.11 1.764 . . . . 0.0 108.578 -169.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.412 ' CZ ' ' HB3' ' A' ' 94' ' ' PHE . 15.5 m-85 -115.14 153.76 30.2 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 113.294 0.849 . . . . 0.0 113.294 -171.019 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -82.49 -12.37 57.85 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.309 1.044 . . . . 0.0 113.308 -179.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -146.63 135.41 11.12 Favored Pre-proline 0 CA--C 1.552 1.02 0 C-N-CA 125.14 1.376 . . . . 0.0 111.664 -173.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -75.4 -29.16 7.89 Favored 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 123.208 2.605 . . . . 0.0 115.338 -171.09 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . 0.263 0.0 OUTLIER -86.46 -26.84 24.46 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 119.91 1.232 . . . . 0.0 112.151 178.168 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -68.66 -43.09 76.92 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 123.313 0.645 . . . . 0.0 109.98 168.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.89 -44.28 91.14 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.666 0.787 . . . . 0.0 112.081 170.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.94 -43.65 92.02 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 177.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -59.37 -38.98 81.82 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 119.443 1.02 . . . . 0.0 111.87 172.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.48 -54.73 27.9 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 118.123 0.42 . . . . 0.0 110.911 175.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -58.87 -20.29 16.79 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 125.823 1.649 . . . . 0.0 114.247 179.713 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 14.7 ttp85 -103.58 -24.07 13.43 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 126.111 1.764 . . . . 0.0 114.357 -178.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -112.16 -24.9 9.59 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 119.695 1.134 . . . . 0.0 113.105 -175.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.411 ' CD1' ' CE1' ' A' ' 94' ' ' PHE . 57.8 mt -70.49 -28.26 64.83 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 119.275 0.943 . . . . 0.0 111.348 168.427 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -68.47 134.53 50.25 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -170.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 59.46 16.02 34.35 Favored Glycine 0 CA--C 1.539 1.535 0 C-N-CA 126.033 1.778 . . . . 0.0 115.354 179.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 11.0 ttt-85 -84.81 -66.68 0.87 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 126.31 1.844 . . . . 0.0 113.519 -168.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 19.5 m 136.1 131.95 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.215 1 C-N-CA 133.883 4.873 . . . . 0.0 106.873 -172.231 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 15.1 tp -164.27 134.74 4.18 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 106.569 -1.641 . . . . 0.0 106.569 -178.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 44.1 t 59.51 -38.47 0.07 Allowed 'General case' 0 CA--C 1.556 1.176 0 C-N-CA 127.159 2.184 . . . . 0.0 114.499 -168.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 148.68 26.37 0.07 OUTLIER Glycine 0 CA--C 1.536 1.358 0 C-N-CA 125.94 1.733 . . . . 0.0 116.965 169.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.1 t -141.69 -176.91 4.94 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 119.469 1.634 . . . . 0.0 112.869 176.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -72.19 55.54 0.32 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 129.455 3.102 . . . . 0.0 112.561 -176.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 10.8 p -50.22 131.16 9.72 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 C-N-CA 126.589 1.956 . . . . 0.0 111.325 -172.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.91 126.06 35.15 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 126.411 1.884 . . . . 0.0 106.254 -175.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 57.6 t -132.69 135.87 56.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 123.764 0.826 . . . . 0.0 110.399 -167.002 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -143.47 166.76 23.9 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 120.887 -1.133 . . . . 0.0 112.963 -176.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -81.73 134.2 35.43 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 169.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.24 155.1 12.01 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 115.501 1.667 . . . . 0.0 115.501 -168.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -107.94 0.32 21.87 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.281 1.432 . . . . 0.0 112.725 171.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -102.13 -10.5 39.3 Favored Glycine 0 CA--C 1.535 1.33 0 C-N-CA 124.623 1.106 . . . . 0.0 115.084 -174.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -152.17 149.19 28.49 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 118.912 1.356 . . . . 0.0 112.679 -174.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -145.15 154.79 42.81 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 126.186 1.795 . . . . 0.0 111.87 171.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.481 1.107 0 C-N-CA 126.245 1.818 . . . . 0.0 111.615 -173.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 151' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.971 1 C3'-C2'-C1' 105.579 4.532 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 152' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.974 1 P-O3'-C3' 125.381 4.734 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.493 2 C3'-C2'-C1' 106.28 5.311 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.031 2 O4'-C1'-N19 113.754 5.554 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 mpp? . . . . . 0 N--CA 1.485 1.283 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -90.36 137.82 32.04 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 120.915 -1.116 . . . . 0.0 110.818 175.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.457 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 88.0 m-85 -123.31 154.26 39.13 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 127.204 2.202 . . . . 0.0 109.088 -176.56 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -105.35 160.77 14.86 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.221 1.009 . . . . 0.0 111.551 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.503 HD11 ' CD2' ' A' ' 7' ' ' LEU . 1.0 OUTLIER -146.35 135.34 22.54 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 126.429 1.892 . . . . 0.0 110.379 175.566 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.4 mp -114.48 112.26 39.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 126.635 1.974 . . . . 0.0 110.252 172.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.503 ' CD2' HD11 ' A' ' 5' ' ' LEU . 82.9 mt -82.81 72.94 9.88 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 126.316 1.847 . . . . 0.0 110.225 169.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 41.4 m-20 -62.85 60.08 0.01 OUTLIER 'General case' 0 CA--C 1.564 1.505 0 C-N-CA 125.01 1.324 . . . . 0.0 114.422 172.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -94.43 139.38 14.5 Favored Glycine 0 CA--C 1.536 1.38 0 O-C-N 119.696 -1.878 . . . . 0.0 113.377 176.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.8 tptm -42.07 -55.89 3.03 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 117.284 2.327 . . . . 0.0 117.284 -167.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 46.1 p -112.44 -0.36 15.32 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.324 1.05 . . . . 0.0 113.527 -169.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.409 HD23 ' H ' ' A' ' 12' ' ' LEU . 2.6 pt? -137.34 -2.24 2.04 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 116.119 1.896 . . . . 0.0 116.119 -168.703 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.37 148.33 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 117.122 2.267 . . . . 0.0 117.122 -169.194 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -163.95 -165.96 22.03 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 116.838 1.495 . . . . 0.0 116.838 169.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -154.13 155.86 36.15 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.466 1.506 . . . . 0.0 111.776 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.9 t -157.78 -173.17 4.24 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 125.853 1.661 . . . . 0.0 109.419 179.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 66.6 p -139.5 172.52 12.68 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.209 1.403 . . . . 0.0 110.514 175.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.626 HG21 ' CG1' ' A' ' 29' ' ' VAL . 4.5 t -157.17 149.77 23.25 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.192 0.997 . . . . 0.0 110.805 177.132 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.3 tp10 -80.29 114.36 19.14 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 169.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -132.36 177.18 7.79 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.724 1.609 . . . . 0.0 112.838 178.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.7 t -86.9 -37.23 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 O-C-N 121.172 -0.955 . . . . 0.0 111.928 172.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.457 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 3.8 t70 174.54 -157.16 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 130.865 3.666 . . . . 0.0 106.882 173.47 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.8 -22.49 2.18 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 120.408 1.458 . . . . 0.0 113.864 169.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.6 -6.69 21.39 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.279 1.432 . . . . 0.0 113.742 175.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 53.4 m -138.81 -33.81 0.63 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.639 1.576 . . . . 0.0 112.428 176.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.413 ' HA ' HG12 ' A' ' 29' ' ' VAL . . . -66.93 -35.32 79.74 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 124.679 1.192 . . . . 0.0 110.847 175.073 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -76.16 4.65 8.17 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 114.754 1.39 . . . . 0.0 114.754 177.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.44 17.91 4.39 Favored 'General case' 0 N--CA 1.463 0.198 0 O-C-N 120.309 -1.494 . . . . 0.0 112.022 174.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.626 ' CG1' HG21 ' A' ' 18' ' ' THR . 3.9 p -126.54 -41.05 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.185 0.994 . . . . 0.0 112.352 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.44 ' CZ ' HG22 ' A' ' 18' ' ' THR . 23.5 m-85 -64.39 -27.23 68.87 Favored 'General case' 0 C--O 1.226 -0.184 0 C-N-CA 123.277 0.631 . . . . 0.0 112.412 170.041 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -56.54 -31.16 63.89 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.952 1.301 . . . . 0.0 112.752 173.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -77.62 -51.27 10.92 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 118.506 0.594 . . . . 0.0 111.034 176.622 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -59.99 -42.56 94.49 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.41 1.084 . . . . 0.0 111.97 179.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.07 -49.26 78.57 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 124.03 0.932 . . . . 0.0 112.142 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 -71.04 -19.0 62.54 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 178.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -80.9 -30.15 35.51 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 173.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -78.36 -44.04 26.11 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 168.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 121.71 13.95 4.93 Favored Glycine 0 CA--C 1.538 1.486 0 C-N-CA 128.673 3.035 . . . . 0.0 115.363 170.003 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 44.4 t -86.73 148.68 4.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 125.31 1.444 . . . . 0.0 111.515 173.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -164.58 58.38 0.14 Allowed 'General case' 0 CA--C 1.555 1.161 0 CA-C-O 122.709 1.242 . . . . 0.0 111.957 168.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.79 -140.99 5.76 Favored Glycine 0 CA--C 1.547 2.071 0 C-N-CA 126.679 2.085 . . . . 0.0 116.527 179.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -70.72 88.66 0.72 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 125.85 1.66 . . . . 0.0 112.948 -177.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 81.8 m95 -62.55 111.98 2.29 Favored 'General case' 0 N--CA 1.467 0.383 0 O-C-N 119.911 -1.743 . . . . 0.0 110.418 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -126.67 163.05 24.33 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 126.641 1.977 . . . . 0.0 110.907 -172.273 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -147.32 168.5 21.62 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.345 1.058 . . . . 0.0 111.797 177.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -142.41 128.24 19.38 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 127.319 2.247 . . . . 0.0 107.437 -177.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.516 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -105.33 3.31 29.71 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.759 1.392 . . . . 0.0 114.759 -177.837 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -92.43 -29.07 16.47 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.096 1.358 . . . . 0.0 110.425 169.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.2 p -125.4 -10.47 6.91 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -174.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.516 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 2.6 mmpt? 61.13 42.54 12.2 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.357 1.463 . . . . 0.0 112.479 178.074 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 81.1 m -117.73 110.91 18.42 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.859 1.664 . . . . 0.0 111.601 -174.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -67.51 159.69 29.17 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 121.924 0.868 . . . . 0.0 111.002 168.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.9 m -146.16 159.48 43.25 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.122 1.369 . . . . 0.0 108.37 170.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.475 ' CG1' HD23 ' A' ' 7' ' ' LEU 0.265 7.6 p -152.75 76.96 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 CA-C-O 123.077 1.418 . . . . 0.0 111.72 177.79 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.1 m -73.49 112.9 10.01 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.019 1.328 . . . . 0.0 111.822 -179.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -75.8 -45.97 33.16 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 177.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 66.24 -25.0 0.16 Allowed Glycine 0 CA--C 1.543 1.814 0 C-N-CA 126.671 2.081 . . . . 0.0 117.377 -178.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.4 -179.92 1.14 Allowed 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.902 1.681 . . . . 0.0 114.976 -170.587 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -58.62 -27.94 65.17 Favored 'General case' 0 CA--C 1.549 0.919 0 O-C-N 120.663 -1.273 . . . . 0.0 113.786 169.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.43 ' CD2' ' H ' ' A' ' 61' ' ' HIS . 34.8 t60 60.82 175.41 0.1 Allowed 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 126.879 2.072 . . . . 0.0 113.17 -168.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.43 ' H ' ' CD2' ' A' ' 60' ' ' HIS . 73.8 t60 -140.17 -56.06 0.54 Allowed 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 115.004 1.483 . . . . 0.0 115.004 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.4 ' CD2' HH12 ' A' ' 67' ' ' ARG 0.286 0.1 OUTLIER 35.98 5.25 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 120.36 3.467 . . . . 0.0 120.36 -171.717 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 58.8 -14.45 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 128.962 2.905 . . . . 0.0 117.114 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 44.7 p-80 -117.51 157.75 25.76 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 120.377 1.444 . . . . 0.0 113.864 -172.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.64 29.61 1.24 Allowed 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 126.368 1.867 . . . . 0.0 111.588 -169.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 16.1 m170 -84.1 1.34 44.59 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 125.691 1.597 . . . . 0.0 114.535 -170.035 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.4 HH12 ' CD2' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -147.63 40.48 1.0 Allowed 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 125.756 1.622 . . . . 0.0 112.24 -170.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -124.26 18.94 9.05 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.43 1.492 . . . . 0.0 114.439 -167.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 20.2 m -149.88 159.72 44.15 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.538 1.535 . . . . 0.0 111.664 174.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.602 ' H ' ' HD2' ' A' ' 71' ' ' PRO . 46.1 t -152.75 -46.85 0.01 OUTLIER Pre-proline 0 CA--C 1.552 1.052 0 C-N-CA 125.087 1.355 . . . . 0.0 114.381 -175.59 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.602 ' HD2' ' H ' ' A' ' 70' ' ' CYS . 60.0 Cg_endo -70.36 98.22 0.73 Allowed 'Trans proline' 0 C--N 1.358 1.028 0 C-N-CA 122.551 2.167 . . . . 0.0 111.369 177.299 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -57.96 -50.36 73.64 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.609 1.564 . . . . 0.0 112.093 -173.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -159.44 170.53 21.55 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.761 1.624 . . . . 0.0 110.6 172.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 4.3 p -158.08 16.63 0.23 Allowed 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 126.215 1.806 . . . . 0.0 113.517 -174.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 46.2 mttp -68.95 141.3 55.01 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.205 1.402 . . . . 0.0 111.163 171.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -140.81 139.46 34.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 CA-C-O 122.661 1.219 . . . . 0.0 111.099 178.168 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -82.29 149.1 27.97 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 128.155 2.582 . . . . 0.0 110.199 175.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.549 HG13 ' HB3' ' A' ' 113' ' ' ALA . 0.5 OUTLIER -149.44 151.84 12.52 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 CA-C-O 122.729 1.252 . . . . 0.0 113.652 171.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.479 ' HA2' ' HA ' ' A' ' 112' ' ' PHE . . . -137.79 157.67 24.29 Favored Glycine 0 CA--C 1.53 1.031 0 C-N-CA 126.136 1.826 . . . . 0.0 112.068 168.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -159.02 161.01 36.55 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.009 1.324 . . . . 0.0 112.137 -167.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.5 tp 33.48 -69.1 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 130.591 3.556 . . . . 0.0 117.586 -173.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 169.06 -38.73 0.21 Allowed Glycine 0 CA--C 1.533 1.163 0 C-N-CA 126.787 2.137 . . . . 0.0 111.757 -172.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -152.7 1.75 0.31 Allowed 'General case' 0 CA--C 1.551 1.012 0 N-CA-C 116.595 2.072 . . . . 0.0 116.595 -177.42 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -79.35 163.03 25.19 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 120.855 1.661 . . . . 0.0 113.642 -179.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -162.23 70.26 0.22 Allowed Glycine 0 N--CA 1.47 0.937 0 O-C-N 121.02 -1.05 . . . . 0.0 112.545 -173.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -137.87 135.88 36.58 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.642 1.577 . . . . 0.0 109.072 170.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.5 pttp -70.52 -19.13 62.94 Favored 'General case' 0 C--O 1.22 -0.494 0 N-CA-C 116.08 1.882 . . . . 0.0 116.08 -172.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 46.5 m -43.11 -62.59 1.0 Allowed 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 120.568 1.531 . . . . 0.0 114.497 -169.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.04 -55.47 16.47 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 -175.455 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.461 HD12 ' N ' ' A' ' 91' ' ' GLU . 3.3 pp -63.6 -33.77 76.35 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 123.437 0.461 . . . . 0.0 112.178 -173.026 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.461 ' N ' HD12 ' A' ' 90' ' ' LEU . 41.4 tt0 -64.57 -48.45 74.94 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 125.151 1.38 . . . . 0.0 111.169 178.443 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.78 -32.89 71.62 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 119.04 -1.064 . . . . 0.0 112.152 172.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.44 98.24 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.728 0.811 . . . . 0.0 111.695 178.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.513 ' HB2' HD11 ' A' ' 100' ' ' LEU . 8.9 m-85 -69.79 -64.16 0.94 Allowed 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 125.268 1.427 . . . . 0.0 111.729 172.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -57.22 -18.57 28.65 Favored Glycine 0 CA--C 1.548 2.116 0 N-CA-C 115.444 0.938 . . . . 0.0 115.444 -176.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -55.84 -49.42 73.36 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 126.293 1.837 . . . . 0.0 112.946 168.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -64.88 -42.46 94.78 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.387 0.675 . . . . 0.0 110.224 174.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 179.77 162.44 28.76 Favored Glycine 0 N--CA 1.476 1.301 0 CA-C-O 118.724 -1.042 . . . . 0.0 113.958 169.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -58.26 139.32 90.08 Favored 'Trans proline' 0 CA--C 1.532 0.417 0 CA-C-N 120.745 2.273 . . . . 0.0 114.976 -168.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.597 HD13 ' CG2' ' A' ' 103' ' ' VAL . 16.3 mt -85.89 150.1 24.76 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.786 1.634 . . . . 0.0 111.561 175.488 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -96.75 -33.67 11.62 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.494 1.118 . . . . 0.0 111.802 169.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.7 m -156.37 154.32 30.36 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.126 1.371 . . . . 0.0 112.193 172.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.597 ' CG2' HD13 ' A' ' 100' ' ' LEU . 73.5 t -139.6 137.13 40.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 125.786 1.634 . . . . 0.0 109.35 173.502 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 87.7 t90 -141.93 148.15 38.2 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 126.082 1.753 . . . . 0.0 110.553 -175.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 8.0 m -143.24 151.82 16.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 125.138 1.375 . . . . 0.0 108.656 173.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.36 143.59 50.16 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-O 122.021 0.915 . . . . 0.0 113.144 -172.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 13.2 ptt85 -55.53 -10.5 0.67 Allowed 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 129.03 2.932 . . . . 0.0 117.783 -174.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -153.61 142.2 14.33 Favored Pre-proline 0 CA--C 1.545 0.783 0 C-N-CA 125.954 1.702 . . . . 0.0 110.659 -175.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -26.25 90.36 0.01 OUTLIER 'Trans proline' 0 CA--C 1.546 1.106 1 C-N-CA 128.061 5.84 . . . . 0.0 118.259 -169.487 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -106.56 -37.64 0.01 OUTLIER 'Trans proline' 0 CA--C 1.542 0.908 0 C-N-CA 122.672 2.248 . . . . 0.0 115.376 -171.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 65.76 30.19 76.72 Favored Glycine 0 N--CA 1.478 1.482 0 N-CA-C 110.293 -1.123 . . . . 0.0 110.293 -168.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.479 ' HA ' ' HA2' ' A' ' 79' ' ' GLY . 0.0 OUTLIER -157.49 156.49 32.17 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.04 1.736 . . . . 0.0 110.351 -166.496 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.549 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -167.25 173.28 9.11 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.165 1.386 . . . . 0.0 112.932 -167.659 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -147.58 147.84 30.49 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 172.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.458 HG11 ' CE2' ' A' ' 94' ' ' PHE . 21.7 m -141.99 171.54 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 124.395 1.078 . . . . 0.0 113.053 -175.331 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -144.6 124.05 13.14 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 125.092 1.357 . . . . 0.0 109.229 169.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.445 ' HA ' ' HA ' ' A' ' 100' ' ' LEU . 41.1 m-85 -78.39 165.32 23.95 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 174.71 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 22.7 tp10 -70.24 -16.41 63.04 Favored 'General case' 0 CA--C 1.548 0.867 0 O-C-N 120.931 -1.106 . . . . 0.0 112.561 170.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -155.93 158.03 31.54 Favored Pre-proline 0 CA--C 1.555 1.144 0 O-C-N 120.783 -1.198 . . . . 0.0 113.346 176.185 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -68.05 -29.24 34.02 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 124.305 3.337 . . . . 0.0 113.924 -178.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.1 ttp85 -63.1 -43.4 98.58 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 120.506 1.503 . . . . 0.0 110.832 174.271 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -66.83 -43.51 83.55 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 178.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.9 -41.83 96.83 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 171.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.48 -39.23 91.7 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.609 0.764 . . . . 0.0 112.475 178.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -66.1 -41.46 90.56 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-O 123.004 1.383 . . . . 0.0 111.718 176.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.44 ' HB1' HD12 ' A' ' 130' ' ' LEU . . . -60.62 -56.79 17.14 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 114.917 -1.038 . . . . 0.0 110.672 171.257 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 54.7 t -57.19 -27.32 27.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 125.412 1.485 . . . . 0.0 113.293 174.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 55.0 ttp85 -67.59 -42.16 82.93 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.549 1.54 . . . . 0.0 110.751 -179.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -129.96 -15.54 3.81 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 118.78 2.882 . . . . 0.0 118.78 -176.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.477 ' HB3' HG21 ' A' ' 142' ' ' VAL . 29.1 mt -66.91 -28.53 68.39 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 121.469 1.941 . . . . 0.0 113.38 175.381 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -60.18 134.56 57.17 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.882 1.273 . . . . 0.0 114.02 -174.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 66.73 -20.12 0.2 Allowed Glycine 0 CA--C 1.541 1.688 0 N-CA-C 119.683 2.633 . . . . 0.0 119.683 169.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 22.2 ptt180 -65.35 -53.15 47.73 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 117.401 2.371 . . . . 0.0 117.401 -167.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 4.5 m 147.66 127.54 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 131.255 3.822 . . . . 0.0 109.339 -170.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.3 tp -168.38 137.94 2.42 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 103.591 -2.744 . . . . 0.0 103.591 -179.062 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 67.8 m 67.25 -27.16 0.13 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 126.456 1.903 . . . . 0.0 112.663 -167.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 145.71 -8.16 1.54 Allowed Glycine 0 CA--C 1.534 1.239 0 N-CA-C 118.145 2.018 . . . . 0.0 118.145 168.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 13.0 t -156.6 -136.85 0.05 Allowed 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 119.819 1.809 . . . . 0.0 110.831 -169.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -47.31 116.72 1.5 Allowed 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 127.972 2.509 . . . . 0.0 111.511 178.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 61.7 t -116.68 162.55 14.58 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 124.916 1.286 . . . . 0.0 111.163 170.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.22 143.27 25.8 Favored 'General case' 0 C--O 1.221 -0.414 0 C-N-CA 127.449 2.3 . . . . 0.0 107.411 168.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.477 HG21 ' HB3' ' A' ' 130' ' ' LEU . 92.5 t -150.39 129.21 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 N-CA-C 107.189 -1.411 . . . . 0.0 107.189 169.071 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -147.63 159.3 43.93 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 119.511 1.05 . . . . 0.0 110.977 176.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 10.6 tp -68.82 137.81 54.26 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 120.047 -1.658 . . . . 0.0 109.605 173.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.39 115.51 5.18 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 121.698 0.761 . . . . 0.0 112.18 -171.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -139.64 25.2 2.4 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 127.635 2.374 . . . . 0.0 111.056 -169.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -148.18 155.02 26.23 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 124.608 1.099 . . . . 0.0 112.846 174.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -166.22 166.7 16.7 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 126.707 2.003 . . . . 0.0 109.496 177.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -147.21 165.68 29.3 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.365 1.066 . . . . 0.0 113.278 177.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.258 0 C-N-CA 126.648 1.979 . . . . 0.0 112.14 -179.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 151' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.228 1 C3'-C2'-C1' 105.174 4.082 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 152' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.549 2.103 1 P-O3'-C3' 125.134 4.528 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.576 -2.565 1 C3'-C2'-C1' 105.597 4.552 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.618 2 O4'-C1'-N19 112.792 4.592 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.8 mmt . . . . . 0 N--CA 1.484 1.261 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -90.09 140.21 29.87 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.017 -1.052 . . . . 0.0 111.389 173.082 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.453 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 88.1 m-85 -125.16 154.47 41.46 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 127.164 2.186 . . . . 0.0 108.385 -177.315 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -107.76 161.0 15.29 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.325 1.05 . . . . 0.0 111.267 -178.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.597 HD21 HD21 ' A' ' 7' ' ' LEU . 18.2 tp -142.64 139.42 31.25 Favored 'General case' 0 C--N 1.333 -0.116 0 C-N-CA 126.197 1.799 . . . . 0.0 110.462 173.283 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mp -113.87 142.05 27.8 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 C-N-CA 126.338 1.855 . . . . 0.0 107.157 169.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.597 HD21 HD21 ' A' ' 5' ' ' LEU . 79.5 mt -117.69 62.03 0.75 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 128.182 2.593 . . . . 0.0 109.337 176.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -56.01 91.04 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 124.407 1.083 . . . . 0.0 113.497 175.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -120.79 176.73 16.3 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 121.166 -0.958 . . . . 0.0 113.543 169.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.97 -48.94 78.47 Favored 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 115.439 1.644 . . . . 0.0 115.439 -169.536 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.7 m -134.05 -26.93 1.47 Allowed 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.517 0.727 . . . . 0.0 112.839 -173.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.677 ' H ' HD23 ' A' ' 12' ' ' LEU . 2.7 pt? -88.36 -6.62 57.61 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 115.624 1.713 . . . . 0.0 115.624 -175.607 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.413 ' H ' ' HE2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -42.25 148.26 0.21 Allowed 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 116.08 1.881 . . . . 0.0 116.08 -168.766 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -168.08 -163.8 22.65 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 117.306 1.682 . . . . 0.0 117.306 170.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -153.77 158.33 40.76 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.961 1.304 . . . . 0.0 112.739 -178.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.2 t -159.62 -175.13 4.99 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 126.553 1.941 . . . . 0.0 110.125 -175.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 69.9 p -142.28 172.16 13.07 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.786 1.635 . . . . 0.0 111.195 175.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.9 t -157.0 150.55 24.34 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.299 -0.876 . . . . 0.0 110.878 171.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.2 tp10 -78.71 113.64 16.95 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 169.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.06 175.3 9.5 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.697 1.599 . . . . 0.0 112.685 -178.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 47.0 t -84.14 -38.53 13.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 O-C-N 121.352 -0.842 . . . . 0.0 111.661 170.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.453 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 2.8 t70 174.55 -155.97 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 131.139 3.776 . . . . 0.0 106.854 173.345 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.34 -21.61 2.34 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 120.639 1.563 . . . . 0.0 114.165 169.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.76 -6.54 16.36 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.194 1.398 . . . . 0.0 113.825 173.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 22.0 m -137.72 -37.17 0.61 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.688 1.595 . . . . 0.0 111.966 174.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.01 -41.65 90.72 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.902 1.281 . . . . 0.0 110.946 177.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -77.26 6.28 7.0 Favored 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 114.26 1.207 . . . . 0.0 114.26 179.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.35 14.8 6.66 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.436 1.494 . . . . 0.0 111.893 169.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 t -115.06 -51.25 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 125.342 1.457 . . . . 0.0 110.024 173.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.478 ' HB3' HD22 ' A' ' 5' ' ' LEU . 23.2 m-85 -62.37 -26.52 68.5 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -58.63 -28.09 65.33 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.276 1.031 . . . . 0.0 113.219 175.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -82.3 -53.39 6.08 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 123.207 0.603 . . . . 0.0 109.887 177.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -57.81 -41.62 82.56 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.128 0.971 . . . . 0.0 112.216 -179.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.75 -52.56 64.54 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 123.695 0.798 . . . . 0.0 111.823 175.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -66.09 -22.2 66.4 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.097 0.959 . . . . 0.0 113.527 176.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -77.7 -30.37 51.81 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 119.321 0.964 . . . . 0.0 112.587 174.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -79.38 -38.51 34.78 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 168.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 118.9 4.11 12.98 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 128.706 3.051 . . . . 0.0 114.739 170.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 48.7 t -77.88 143.83 12.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 CA-C-N 118.462 1.131 . . . . 0.0 110.621 171.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -162.24 54.31 0.23 Allowed 'General case' 0 CA--C 1.547 0.832 0 CA-C-O 122.421 1.105 . . . . 0.0 112.032 168.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -74.32 -158.21 5.74 Favored Glycine 0 CA--C 1.539 1.585 0 C-N-CA 124.71 1.147 . . . . 0.0 115.552 175.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -65.09 130.22 42.56 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 121.221 -1.164 . . . . 0.0 109.59 170.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 80.0 m95 -89.53 139.47 30.5 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.662 1.185 . . . . 0.0 110.715 177.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -139.69 157.38 45.87 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 127.323 2.249 . . . . 0.0 108.895 -177.728 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -153.91 165.2 36.86 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.509 1.523 . . . . 0.0 109.776 -177.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -140.8 170.29 16.03 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.574 1.15 . . . . 0.0 112.532 -179.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.435 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 21.4 t70 -131.8 -4.6 3.62 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 115.121 1.526 . . . . 0.0 115.121 178.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.66 -27.77 31.11 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.425 0.69 . . . . 0.0 109.686 168.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 25.8 p -132.38 -12.67 3.1 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.602 1.561 . . . . 0.0 113.58 -170.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.435 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 2.6 mmpt? 56.1 39.48 30.38 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.297 1.439 . . . . 0.0 112.815 176.431 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 52.6 m -116.36 114.23 24.01 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 125.7 1.6 . . . . 0.0 110.272 -172.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -67.33 157.97 32.71 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 124.291 1.036 . . . . 0.0 111.18 169.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.1 m -151.11 129.22 11.85 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 107.346 -1.353 . . . . 0.0 107.346 171.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.444 HG12 HD23 ' A' ' 7' ' ' LEU . 9.5 p -113.56 132.76 61.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 123.863 0.865 . . . . 0.0 108.743 170.003 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 57.7 m -120.29 95.6 4.81 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.948 0.899 . . . . 0.0 111.625 -169.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -52.72 -36.75 58.05 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 126.687 1.995 . . . . 0.0 114.593 -170.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.94 -0.77 36.02 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 124.495 1.045 . . . . 0.0 114.905 -177.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 21.3 t -144.77 159.99 41.97 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.276 1.43 . . . . 0.0 111.689 -175.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -134.85 17.92 3.52 Favored 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 129.454 3.102 . . . . 0.0 110.429 171.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 7.7 t60 67.0 -32.78 0.19 Allowed 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 129.613 3.165 . . . . 0.0 117.315 179.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 78.2 m80 -76.41 32.1 0.13 Allowed 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 126.46 1.904 . . . . 0.0 115.014 -170.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 60.9 m-70 -92.41 -1.29 57.11 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 115.384 1.624 . . . . 0.0 115.384 -169.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 74.3 m80 49.68 36.19 10.26 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.774 1.63 . . . . 0.0 113.896 172.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -62.2 168.76 3.17 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.222 1.809 . . . . 0.0 115.203 -174.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.59 37.9 1.84 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.882 1.273 . . . . 0.0 110.366 169.417 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 15.6 t-80 -160.17 178.25 9.85 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 127.068 2.147 . . . . 0.0 109.851 172.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.47 35.47 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 129.193 2.997 . . . . 0.0 113.426 173.017 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -115.5 149.1 38.65 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 119.621 -1.924 . . . . 0.0 113.755 -168.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 68.7 p -150.64 99.35 2.73 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.791 1.237 . . . . 0.0 111.161 -176.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 28.1 p -147.4 154.83 45.82 Favored Pre-proline 0 CA--C 1.546 0.8 0 C-N-CA 126.878 2.071 . . . . 0.0 109.093 179.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -55.21 -42.4 69.07 Favored 'Trans proline' 0 C--N 1.353 0.814 0 C-N-CA 123.248 2.632 . . . . 0.0 112.778 -172.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.1 mt -162.56 143.55 10.1 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 129.087 2.955 . . . . 0.0 106.284 168.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -72.04 156.9 38.71 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-O 121.289 0.566 . . . . 0.0 111.276 171.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.6 t -110.11 -16.68 13.73 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.682 1.193 . . . . 0.0 112.234 -177.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -82.22 154.93 25.17 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.061 1.344 . . . . 0.0 111.106 169.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.2 t -139.55 127.73 26.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 C-N-CA 126.642 1.977 . . . . 0.0 108.395 -174.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -78.87 147.59 33.1 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 123.387 0.675 . . . . 0.0 109.476 169.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.404 HG13 ' HB3' ' A' ' 113' ' ' ALA . 1.4 p -149.68 148.5 15.46 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.332 0 CA-C-N 118.958 0.799 . . . . 0.0 112.223 169.595 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -128.86 97.75 0.43 Allowed Glycine 0 CA--C 1.535 1.282 0 N-CA-C 110.09 -1.204 . . . . 0.0 110.09 169.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -75.32 129.1 36.84 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 127.398 2.279 . . . . 0.0 114.313 -169.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 50.7 tp 58.57 -59.13 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 129.327 3.051 . . . . 0.0 114.439 178.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 154.66 -45.43 0.55 Allowed Glycine 0 CA--C 1.533 1.172 0 C-N-CA 129.115 3.245 . . . . 0.0 109.672 -178.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -139.85 35.86 1.97 Allowed 'General case' 0 CA--C 1.558 1.282 0 C-N-CA 125.342 1.457 . . . . 0.0 113.751 -172.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 37.5 t-20 -150.6 122.84 8.34 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 120.287 -1.508 . . . . 0.0 113.956 170.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -99.0 78.37 0.53 Allowed Glycine 0 CA--C 1.533 1.159 0 C-N-CA 125.408 1.48 . . . . 0.0 111.298 174.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -117.36 -2.69 11.52 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 116.112 1.893 . . . . 0.0 116.112 -169.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 10.1 ptmm? 46.83 -36.74 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 121.66 3.948 . . . . 0.0 121.66 -178.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 25.9 m -47.73 -52.76 17.3 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 121.743 2.065 . . . . 0.0 116.034 -168.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -77.74 -41.01 39.15 Favored 'General case' 0 CA--C 1.53 0.204 0 O-C-N 121.087 -1.008 . . . . 0.0 111.033 -177.228 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.412 HD12 ' N ' ' A' ' 91' ' ' GLU . 3.2 pp -60.68 -32.93 72.12 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 120.487 1.494 . . . . 0.0 112.037 175.198 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.412 ' N ' HD12 ' A' ' 90' ' ' LEU . 24.3 tt0 -61.84 -48.73 79.23 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.755 1.222 . . . . 0.0 111.745 175.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.6 ppt_? -67.86 -35.24 78.19 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 119.19 0.905 . . . . 0.0 112.762 170.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.13 -48.85 79.7 Favored 'General case' 0 C--O 1.22 -0.456 0 C-N-CA 124.34 1.056 . . . . 0.0 111.182 -179.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.423 ' HB3' ' CZ ' ' A' ' 117' ' ' PHE . 12.5 m-85 -62.63 -63.13 1.31 Allowed 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 124.929 1.292 . . . . 0.0 111.525 174.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -57.33 -21.66 41.38 Favored Glycine 0 CA--C 1.547 2.052 0 N-CA-C 115.689 1.036 . . . . 0.0 115.689 -177.157 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -57.61 -53.48 57.69 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.706 1.603 . . . . 0.0 113.139 169.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -66.89 -37.44 84.39 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 118.69 0.677 . . . . 0.0 111.124 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -171.41 161.65 34.09 Favored Glycine 0 N--CA 1.476 1.356 0 CA-C-O 118.197 -1.335 . . . . 0.0 112.623 169.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -69.02 135.54 32.5 Favored 'Trans proline' 0 CA--C 1.535 0.531 0 CA-C-N 121.803 2.801 . . . . 0.0 114.517 -169.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.419 ' HA ' ' HA ' ' A' ' 117' ' ' PHE . 16.7 mt -74.58 164.94 26.01 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.226 1.81 . . . . 0.0 113.25 175.138 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 32.9 ttp-105 -124.8 -28.73 3.48 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 125.97 1.708 . . . . 0.0 112.244 169.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 17.1 t -153.5 150.19 28.48 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.535 1.134 . . . . 0.0 111.537 170.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.415 ' CG2' HD13 ' A' ' 100' ' ' LEU . 85.3 t -139.65 131.04 33.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 125.313 1.445 . . . . 0.0 108.847 174.48 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 86.2 t90 -142.21 148.31 37.97 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.112 1.365 . . . . 0.0 110.632 -178.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 24.4 m -144.56 159.17 14.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 C-N-CA 126.316 1.847 . . . . 0.0 107.941 175.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -79.02 46.5 0.7 Allowed 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 115.581 1.697 . . . . 0.0 115.581 -171.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 39.94 20.2 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 130.572 3.549 . . . . 0.0 118.957 168.291 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -169.74 -175.22 0.34 Allowed Pre-proline 0 CA--C 1.561 1.395 0 C-N-CA 127.287 2.235 . . . . 0.0 109.546 -169.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -56.31 -13.62 10.39 Favored 'Trans proline' 0 CA--C 1.554 1.485 0 C-N-CA 124.921 3.747 . . . . 0.0 121.764 175.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_exo -51.32 -22.51 11.83 Favored 'Trans proline' 0 CA--C 1.544 1.014 0 CA-C-N 125.661 3.058 . . . . 0.0 118.387 -176.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 77.84 -44.2 2.28 Favored Glycine 0 N--CA 1.479 1.521 0 C-N-CA 125.087 1.327 . . . . 0.0 113.776 177.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.515 ' CE1' ' C5 ' ' B' ' 153' ' ' ' U' . 0.1 OUTLIER -46.33 140.83 3.85 Favored 'General case' 0 CA--C 1.563 1.467 0 C-N-CA 126.662 1.985 . . . . 0.0 111.492 169.179 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.404 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -163.93 179.35 7.08 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 125.548 1.539 . . . . 0.0 114.067 -168.181 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -152.44 147.71 26.58 Favored 'General case' 0 N--CA 1.48 1.073 0 O-C-N 121.186 -0.946 . . . . 0.0 113.048 174.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.404 HG11 ' CE2' ' A' ' 94' ' ' PHE . 7.6 m -134.1 168.76 23.1 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 O-C-N 120.956 -1.09 . . . . 0.0 112.152 171.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -142.37 132.19 24.22 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 124.885 1.274 . . . . 0.0 108.57 172.346 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.423 ' CZ ' ' HB3' ' A' ' 94' ' ' PHE . 41.5 m-85 -94.95 168.63 10.66 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -178.561 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -71.7 -37.43 70.69 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 121.476 -0.765 . . . . 0.0 112.572 177.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -129.2 141.41 41.67 Favored Pre-proline 0 CA--C 1.547 0.832 0 C-N-CA 125.015 1.326 . . . . 0.0 110.61 175.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -51.87 -29.77 36.14 Favored 'Trans proline' 0 CA--C 1.538 0.684 0 C-N-CA 123.845 3.03 . . . . 0.0 114.996 172.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.4 ttp85 -58.22 -42.19 85.75 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.082 0.953 . . . . 0.0 111.807 170.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -68.18 -44.83 75.02 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 122.543 0.337 . . . . 0.0 110.9 -179.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.23 -48.12 82.81 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 122.959 0.504 . . . . 0.0 112.109 173.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.32 -44.6 91.07 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 -179.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -66.54 -39.53 88.64 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.319 1.048 . . . . 0.0 112.112 178.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.38 -55.51 17.71 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 121.776 -0.577 . . . . 0.0 109.964 175.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 55.8 t -55.33 -49.93 68.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 123.73 0.812 . . . . 0.0 111.206 178.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 4.4 ppt_? -60.64 -24.31 65.46 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-O 117.603 -1.189 . . . . 0.0 113.501 -178.049 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -116.16 18.86 15.23 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 174.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 22.4 mt -117.72 -35.78 3.84 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 126.275 1.83 . . . . 0.0 112.702 172.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -53.03 112.71 0.91 Allowed 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.203 1.001 . . . . 0.0 113.39 -169.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 59.58 13.51 24.08 Favored Glycine 0 CA--C 1.538 1.507 0 N-CA-C 116.66 1.424 . . . . 0.0 116.66 179.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 67.3 mmt-85 -66.38 -67.14 0.47 Allowed 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 120.039 1.92 . . . . 0.0 112.395 -176.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 17.6 m 143.54 131.64 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.353 1 C-N-CA 132.859 4.464 . . . . 0.0 107.22 -176.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -168.09 148.76 5.0 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 105.032 -2.21 . . . . 0.0 105.032 -176.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 91.2 m 64.16 -31.71 0.12 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.586 1.554 . . . . 0.0 112.755 -167.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 144.27 2.67 0.81 Allowed Glycine 0 CA--C 1.531 1.048 0 N-CA-C 118.266 2.066 . . . . 0.0 118.266 168.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 37.9 t -150.46 -77.64 0.14 Allowed 'General case' 0 C--N 1.343 0.325 0 CA-C-N 121.181 2.49 . . . . 0.0 109.799 -174.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -122.14 158.99 28.12 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 123.12 1.438 . . . . 0.0 112.64 177.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.73 89.16 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 128.116 2.566 . . . . 0.0 107.543 171.077 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.71 55.97 0.89 Allowed 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.452 1.501 . . . . 0.0 111.124 179.378 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 71.3 t -83.86 139.43 17.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 125.919 1.688 . . . . 0.0 110.194 -176.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -151.59 162.69 40.55 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.191 0.996 . . . . 0.0 110.657 169.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 39.6 mt -77.56 146.81 36.07 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 120.162 -1.586 . . . . 0.0 109.637 169.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.43 114.29 1.45 Allowed 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 112.732 0.642 . . . . 0.0 112.732 175.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 -70.13 -33.43 71.81 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 174.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 144.13 52.47 0.03 OUTLIER Glycine 0 CA--C 1.533 1.208 0 C-N-CA 126.363 1.935 . . . . 0.0 109.888 -169.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -49.87 -55.33 14.71 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 117.777 2.51 . . . . 0.0 117.777 -167.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -147.54 50.59 1.07 Allowed 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 125.331 1.452 . . . . 0.0 112.629 -174.2 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.066 0 C-N-CA 126.157 1.783 . . . . 0.0 111.285 178.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 151' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.016 0 C3'-C2'-C1' 105.087 3.986 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 152' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.151 4 O4'-C1'-N19 116.21 8.01 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 153' ' ' ' U' . . . . . 0.515 ' C5 ' ' CE1' ' A' ' 112' ' ' PHE . . . . . . . . 0 C5'--C4' 1.551 3.168 4 C4'-C3'-C2' 96.761 -5.939 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.072 1 P-O3'-C3' 128.826 7.605 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 79.1 mmm . . . . . 0 N--CA 1.485 1.313 0 N-CA-C 109.217 -0.661 . . . . 0.0 109.217 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -88.87 140.67 29.2 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 120.544 -1.348 . . . . 0.0 112.058 177.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.494 ' CD1' ' HB3' ' A' ' 20' ' ' ALA . 88.8 m-85 -127.39 153.95 45.61 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 126.984 2.113 . . . . 0.0 108.498 -179.101 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -110.02 163.96 13.07 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.006 1.322 . . . . 0.0 111.624 -179.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.523 HD11 ' CD2' ' A' ' 7' ' ' LEU . 1.4 tm? -147.17 136.61 22.73 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.707 2.003 . . . . 0.0 110.772 178.052 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.6 mp -118.25 113.43 42.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 126.45 1.9 . . . . 0.0 110.554 173.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.523 ' CD2' HD11 ' A' ' 5' ' ' LEU . 85.0 mt -83.23 63.52 7.25 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 127.736 2.415 . . . . 0.0 112.05 174.58 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.416 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 58.3 t30 -68.27 64.3 0.1 Allowed 'General case' 0 CA--C 1.553 1.093 0 N-CA-C 115.982 1.845 . . . . 0.0 115.982 -175.252 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.419 ' HA2' ' HB3' ' A' ' 56' ' ' GLU . . . -84.14 173.14 50.06 Favored Glycine 0 N--CA 1.473 1.151 0 O-C-N 120.578 -1.326 . . . . 0.0 114.177 170.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.63 -49.35 68.04 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 115.595 1.702 . . . . 0.0 115.595 -169.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.7 p -138.56 -18.71 1.08 Allowed 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.234 1.013 . . . . 0.0 113.619 -169.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.58 HD23 ' H ' ' A' ' 12' ' ' LEU . 2.3 pt? -96.98 -5.86 36.82 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.698 1.599 . . . . 0.0 114.733 -176.157 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.66 151.29 0.12 Allowed 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 117.383 2.364 . . . . 0.0 117.383 -168.509 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -165.3 -156.26 9.05 Favored Glycine 0 CA--C 1.525 0.716 0 CA-C-N 113.54 -1.663 . . . . 0.0 116.052 169.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -156.59 160.93 39.89 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.519 1.528 . . . . 0.0 111.973 -175.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.9 t -154.3 -176.64 5.97 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.699 1.599 . . . . 0.0 110.09 173.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 72.1 p -140.97 170.83 15.0 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 125.935 1.694 . . . . 0.0 110.082 174.081 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.706 HG21 HG11 ' A' ' 29' ' ' VAL . 5.0 t -157.96 151.5 23.59 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.133 -0.98 . . . . 0.0 111.293 175.247 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -81.66 119.23 23.56 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 167.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.671 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -138.83 170.41 16.05 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.026 1.731 . . . . 0.0 112.324 -174.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 58.7 t -82.85 -38.85 15.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 O-C-N 121.02 -1.05 . . . . 0.0 111.651 170.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.455 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 3.3 t70 174.54 -154.58 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 130.691 3.596 . . . . 0.0 106.683 173.571 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.63 -19.49 2.39 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 120.681 1.582 . . . . 0.0 114.059 169.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.83 -8.26 14.47 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.41 1.084 . . . . 0.0 113.602 171.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.671 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 10.3 m -136.5 -41.8 0.62 Allowed 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 126.393 1.877 . . . . 0.0 111.746 179.6 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.461 ' HA ' HG12 ' A' ' 29' ' ' VAL . . . -68.32 -34.21 75.71 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.783 1.633 . . . . 0.0 111.024 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -78.65 5.38 11.19 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 120.701 -1.249 . . . . 0.0 114.367 176.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.14 18.2 3.2 Favored 'General case' 0 N--CA 1.466 0.332 0 O-C-N 120.658 -1.276 . . . . 0.0 112.276 176.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.706 HG11 HG21 ' A' ' 18' ' ' THR . 9.8 p -124.47 -40.96 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 124.889 1.276 . . . . 0.0 111.873 177.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -68.4 -27.7 66.45 Favored 'General case' 0 CA--C 1.527 0.091 0 C-N-CA 124.195 0.998 . . . . 0.0 112.571 173.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -54.59 -32.49 58.72 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.161 1.384 . . . . 0.0 112.763 177.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -80.2 -50.09 10.74 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.973 0.909 . . . . 0.0 110.665 -179.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -59.97 -43.73 94.91 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.341 1.057 . . . . 0.0 112.261 177.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.41 -52.16 66.49 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 123.729 0.811 . . . . 0.0 112.217 178.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -73.35 -13.11 61.04 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.384 0.674 . . . . 0.0 112.739 -178.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -84.18 -31.35 25.18 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.911 0.884 . . . . 0.0 112.764 171.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -76.32 -36.85 58.09 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 168.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 119.85 0.89 13.36 Favored Glycine 0 CA--C 1.534 1.224 0 C-N-CA 128.66 3.029 . . . . 0.0 114.742 169.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 54.2 t -76.39 149.63 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 CA-C-N 118.138 0.969 . . . . 0.0 111.511 173.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -163.39 41.3 0.1 Allowed 'General case' 0 CA--C 1.546 0.827 0 CA-C-O 122.292 1.044 . . . . 0.0 111.235 169.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.85 -151.25 0.05 OUTLIER Glycine 0 CA--C 1.542 1.775 0 C-N-CA 126.195 1.855 . . . . 0.0 116.643 177.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -73.14 85.72 1.37 Allowed 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.191 1.396 . . . . 0.0 112.709 -178.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 77.5 m95 -55.35 116.28 2.76 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 125.428 1.491 . . . . 0.0 110.216 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.99 162.29 29.01 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 126.864 2.066 . . . . 0.0 110.503 -173.032 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -155.38 163.92 39.43 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.598 1.159 . . . . 0.0 111.663 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -138.23 166.14 24.92 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.266 1.426 . . . . 0.0 112.454 176.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.466 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 28.4 t70 -125.12 -0.4 7.79 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 114.781 1.401 . . . . 0.0 114.781 -178.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -95.45 -32.09 13.06 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.164 1.386 . . . . 0.0 111.359 170.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.6 t -125.38 -1.63 7.54 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.308 1.043 . . . . 0.0 113.615 178.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.466 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 2.7 mmpt? 53.64 41.29 32.11 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.801 1.24 . . . . 0.0 113.075 169.154 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 52.7 m -120.92 113.81 20.65 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 125.567 1.547 . . . . 0.0 109.316 -171.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -66.79 159.91 27.02 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 122.054 0.93 . . . . 0.0 110.967 169.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 22.4 m -145.7 161.95 38.69 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 125.687 1.595 . . . . 0.0 107.491 169.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.49 ' CG1' HD23 ' A' ' 7' ' ' LEU . 14.4 p -153.92 65.76 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 CA-C-O 123.22 1.486 . . . . 0.0 111.189 -179.368 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.416 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 86.1 m -67.99 118.77 11.62 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.113 -0.992 . . . . 0.0 112.734 -172.475 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.419 ' HB3' ' HA2' ' A' ' 9' ' ' GLY . 7.7 tm-20 -117.04 137.76 52.04 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.346 1.858 . . . . 0.0 113.906 -168.6 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 27.07 51.05 0.07 OUTLIER Glycine 0 N--CA 1.478 1.46 0 C-N-CA 128.691 3.043 . . . . 0.0 118.05 169.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.5 p -159.87 -41.09 0.05 Allowed 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 126.485 1.914 . . . . 0.0 110.916 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 -130.68 154.13 48.25 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 128.247 2.619 . . . . 0.0 109.152 170.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -144.92 134.23 22.97 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.646 1.178 . . . . 0.0 108.846 169.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 11.8 m80 -56.35 154.33 8.4 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.448 1.499 . . . . 0.0 113.605 -179.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -57.31 145.71 31.24 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 115.093 1.516 . . . . 0.0 115.093 -173.216 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 9.2 p80 -153.44 7.17 0.37 Allowed 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.829 1.651 . . . . 0.0 113.749 176.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . 0.306 0.0 OUTLIER 52.91 179.87 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 128.771 2.828 . . . . 0.0 115.842 -171.401 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 95.3 mtp 57.93 -80.2 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 127.512 2.325 . . . . 0.0 113.52 -169.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -93.56 146.58 23.69 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 119.877 1.217 . . . . 0.0 112.316 -172.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.468 HH12 ' CG ' ' A' ' 68' ' ' ASP 0.429 0.0 OUTLIER 47.4 -4.69 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 120.906 3.669 . . . . 0.0 120.906 -178.966 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.468 ' CG ' HH12 ' A' ' 67' ' ' ARG . 4.3 m-20 -70.36 77.75 0.55 Allowed 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 120.879 1.672 . . . . 0.0 113.265 173.154 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.8 p -162.32 -49.99 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 127.421 2.289 . . . . 0.0 109.464 169.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 5.2 m -154.34 118.27 2.62 Favored Pre-proline 0 CA--C 1.547 0.828 0 C-N-CA 128.909 2.884 . . . . 0.0 106.535 169.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_exo -48.56 147.4 9.4 Favored 'Trans proline' 0 CA--C 1.54 0.795 0 C-N-CA 124.132 3.222 . . . . 0.0 116.509 -175.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 44.6 mt 63.29 173.48 0.16 Allowed 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 127.954 2.501 . . . . 0.0 115.038 177.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -114.13 21.22 14.97 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 125.765 1.626 . . . . 0.0 112.387 -177.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 9.4 p -65.73 25.0 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 128.951 2.901 . . . . 0.0 114.362 169.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.5 mttp -102.22 140.48 36.44 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 127.39 2.276 . . . . 0.0 109.383 -172.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 80.0 t -140.6 131.65 29.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 CA-C-O 122.094 0.949 . . . . 0.0 113.222 -167.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -88.36 147.5 24.71 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 125.934 1.693 . . . . 0.0 109.237 168.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.421 HG13 ' HB3' ' A' ' 113' ' ' ALA . 1.4 p -152.55 152.88 10.02 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.285 0 CA-C-O 122.732 1.253 . . . . 0.0 113.335 177.153 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.35 151.19 23.26 Favored Glycine 0 CA--C 1.535 1.316 0 C-N-CA 125.991 1.757 . . . . 0.0 109.795 168.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -143.56 143.67 31.62 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 119.748 1.774 . . . . 0.0 113.328 -168.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.4 tp 56.17 -30.17 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 130.021 3.328 . . . . 0.0 117.107 -176.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 118.78 -22.21 9.34 Favored Glycine 0 CA--C 1.542 1.731 0 C-N-CA 127.907 2.67 . . . . 0.0 110.81 -168.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -152.72 5.73 0.38 Allowed 'General case' 0 CA--C 1.559 1.295 0 C-N-CA 125.964 1.706 . . . . 0.0 114.387 -175.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -78.2 128.73 34.18 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 120.114 -1.616 . . . . 0.0 110.731 177.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -142.64 55.74 0.58 Allowed Glycine 0 N--CA 1.469 0.879 0 C-N-CA 125.322 1.439 . . . . 0.0 112.493 -177.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -125.26 126.26 44.87 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.805 1.242 . . . . 0.0 109.959 172.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.1 ptmm? -58.13 -36.06 72.39 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 115.372 1.619 . . . . 0.0 115.372 -177.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.404 ' HA ' ' HB3' ' A' ' 91' ' ' GLU . 2.2 m -73.02 -31.69 64.62 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 -168.449 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -64.48 -53.27 50.87 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 119.666 1.121 . . . . 0.0 110.724 174.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.436 ' HA ' ' HB3' ' A' ' 93' ' ' ALA . 4.5 pp -65.85 -32.31 73.76 Favored 'General case' 0 C--O 1.22 -0.456 0 C-N-CA 120.474 -0.49 . . . . 0.0 111.865 177.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.404 ' HB3' ' HA ' ' A' ' 88' ' ' THR . 40.3 tt0 -55.77 -48.03 76.01 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 120.756 -1.215 . . . . 0.0 111.953 173.399 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.86 -37.85 82.37 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 119.154 0.888 . . . . 0.0 111.714 170.528 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.436 ' HB3' ' HA ' ' A' ' 90' ' ' LEU . . . -60.17 -36.27 77.2 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.602 1.092 . . . . 0.0 112.601 -178.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.589 ' CD2' HG11 ' A' ' 115' ' ' VAL . 21.8 m-85 -83.76 -60.17 2.2 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 125.794 1.638 . . . . 0.0 111.628 179.191 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -50.29 -23.31 5.89 Favored Glycine 0 CA--C 1.548 2.134 0 N-CA-C 115.452 0.941 . . . . 0.0 115.452 173.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -51.63 -51.62 54.23 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.851 1.66 . . . . 0.0 112.702 168.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -72.33 -44.81 62.13 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.221 1.008 . . . . 0.0 111.323 178.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -171.84 168.34 41.43 Favored Glycine 0 N--CA 1.478 1.476 0 CA-C-O 118.839 -0.979 . . . . 0.0 114.478 175.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -70.4 124.5 10.88 Favored 'Trans proline' 0 C--O 1.237 0.446 0 CA-C-N 120.919 2.359 . . . . 0.0 114.154 -169.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.42 HD13 ' CG2' ' A' ' 103' ' ' VAL . 21.1 mt -61.0 162.84 6.53 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.825 2.05 . . . . 0.0 112.763 170.313 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 28.3 ttp180 -124.79 -29.51 3.39 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 126.461 1.904 . . . . 0.0 111.307 176.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 83.0 p -160.62 155.1 23.55 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.573 1.549 . . . . 0.0 111.069 166.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.42 ' CG2' HD13 ' A' ' 100' ' ' LEU . 78.1 t -139.75 134.42 38.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 126.121 1.768 . . . . 0.0 107.922 -178.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 39.2 t90 -147.49 143.74 28.08 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 177.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.501 HG12 ' HB1' ' A' ' 113' ' ' ALA . 1.0 OUTLIER -142.03 154.95 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 O-C-N 121.469 -0.769 . . . . 0.0 110.025 170.692 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -97.2 135.67 38.82 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-O 120.916 0.389 . . . . 0.0 110.991 172.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.13 -9.44 21.35 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.472 1.109 . . . . 0.0 112.989 178.548 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -64.7 -44.29 72.97 Favored Pre-proline 0 CA--C 1.56 1.347 0 CA-C-O 118.04 -0.981 . . . . 0.0 112.168 171.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -118.77 82.03 0.0 OUTLIER 'Trans proline' 0 CA--C 1.551 1.364 0 C-N-CA 124.581 3.52 . . . . 0.0 110.873 169.173 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -53.79 116.76 3.23 Favored 'Trans proline' 0 CA--C 1.538 0.702 0 C-N-CA 123.355 2.703 . . . . 0.0 112.57 -177.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 157.51 -18.33 0.36 Allowed Glycine 0 N--CA 1.475 1.296 0 N-CA-C 115.585 0.994 . . . . 0.0 115.585 173.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -130.69 157.4 42.89 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 125.439 1.496 . . . . 0.0 110.698 -171.024 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.501 ' HB1' HG12 ' A' ' 105' ' ' VAL . . . -165.98 178.6 6.33 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 124.897 1.279 . . . . 0.0 113.741 -167.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -149.89 157.64 43.37 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.403 1.081 . . . . 0.0 113.819 172.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.589 HG11 ' CD2' ' A' ' 94' ' ' PHE . 32.6 m -143.35 172.2 7.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 CA-C-O 122.739 1.257 . . . . 0.0 113.29 169.503 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -152.34 127.88 10.05 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 127.05 2.14 . . . . 0.0 106.598 -177.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.442 ' CZ ' ' HB3' ' A' ' 94' ' ' PHE . 57.4 m-85 -109.03 155.87 20.41 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.138 1.375 . . . . 0.0 111.823 -173.249 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -68.95 -14.91 63.32 Favored 'General case' 0 CA--C 1.553 1.076 0 O-C-N 120.467 -1.396 . . . . 0.0 112.603 174.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -141.01 133.0 13.96 Favored Pre-proline 0 CA--C 1.553 1.074 0 C-N-CA 125.063 1.345 . . . . 0.0 112.525 -170.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -78.9 -24.48 7.01 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 123.395 2.73 . . . . 0.0 114.765 -175.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.96 -41.97 81.64 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 120.348 1.431 . . . . 0.0 110.259 171.54 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -66.63 -41.3 88.53 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.242 0.617 . . . . 0.0 112.346 174.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.1 -44.63 97.05 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 118.578 0.626 . . . . 0.0 112.335 171.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.15 -47.93 75.34 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.057 0.543 . . . . 0.0 111.492 178.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -61.57 -37.37 83.61 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.668 1.187 . . . . 0.0 112.302 178.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.37 -55.06 31.62 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 122.905 0.482 . . . . 0.0 110.232 169.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 35.1 t -51.92 -40.36 28.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 124.805 1.242 . . . . 0.0 113.518 177.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -78.92 -26.84 43.74 Favored 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 114.328 1.232 . . . . 0.0 114.328 -179.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -105.19 -21.61 13.22 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 -173.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.447 ' CD1' ' CE1' ' A' ' 94' ' ' PHE . 42.7 mt -80.91 -36.1 31.54 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.6 1.16 . . . . 0.0 113.988 176.307 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -65.02 147.49 53.39 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 115.225 1.565 . . . . 0.0 115.225 -168.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 66.3 -44.37 0.18 Allowed Glycine 0 CA--C 1.538 1.527 0 C-N-CA 128.959 3.171 . . . . 0.0 118.459 169.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 49.6 mtt85 -51.76 -56.49 13.53 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 127.688 2.395 . . . . 0.0 115.082 -169.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.6 m 149.41 150.32 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.958 1 C-N-CA 131.771 4.029 . . . . 0.0 107.322 -169.235 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -143.77 -60.71 0.4 Allowed 'General case' 0 N--CA 1.476 0.864 0 CA-C-O 119.107 -0.473 . . . . 0.0 111.583 171.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 27.7 t -67.19 -42.33 84.37 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 118.741 0.701 . . . . 0.0 111.611 169.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 158.18 4.51 0.07 OUTLIER Glycine 0 CA--C 1.541 1.662 0 N-CA-C 116.305 1.282 . . . . 0.0 116.305 -177.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 5.7 t -157.26 -170.56 3.3 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 127.077 2.151 . . . . 0.0 107.556 177.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -47.73 126.64 10.53 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.547 1.539 . . . . 0.0 113.408 -169.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 12.1 p -117.23 156.12 18.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 126.805 2.042 . . . . 0.0 109.98 177.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.01 134.61 47.53 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 126.962 2.105 . . . . 0.0 108.999 175.299 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 87.2 t -147.9 135.15 13.86 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 169.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 30.8 mp0 -141.15 168.47 19.71 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.095 0.958 . . . . 0.0 110.322 171.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -71.97 135.21 46.36 Favored 'General case' 0 CA--C 1.543 0.673 0 O-C-N 120.253 -1.529 . . . . 0.0 108.616 167.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 37.2 m -58.51 149.05 26.37 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 121.668 0.747 . . . . 0.0 112.618 -179.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -113.58 -79.57 0.58 Allowed 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.201 1.0 . . . . 0.0 108.626 169.058 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 59.87 -69.06 0.01 OUTLIER Glycine 0 CA--C 1.539 1.572 0 C-N-CA 126.888 2.185 . . . . 0.0 114.942 179.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -150.57 -5.39 0.31 Allowed 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.336 1.854 . . . . 0.0 114.354 173.593 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -61.25 144.91 52.94 Favored 'General case' 0 CA--C 1.51 -0.562 0 CA-C-N 120.058 1.299 . . . . 0.0 112.002 -168.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.029 0 CA-C-N 113.47 -1.696 . . . . 0.0 110.575 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 151' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.045 0 C3'-C2'-C1' 105.098 3.998 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 152' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.272 2 P-O3'-C3' 125.262 4.635 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.728 4 N19-C1'-C2' 123.677 6.423 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.693 2 O4'-C1'-N19 114.198 5.998 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.7 mmt . . . . . 0 N--CA 1.485 1.303 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -88.16 141.26 28.7 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 119.605 1.093 . . . . 0.0 111.533 174.057 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.463 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 86.9 m-85 -125.6 154.89 41.59 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 127.49 2.316 . . . . 0.0 108.366 -178.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -107.34 162.61 13.75 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.563 1.145 . . . . 0.0 111.531 -178.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.608 HD22 ' HB3' ' A' ' 30' ' ' PHE . 14.6 tp -141.64 140.16 33.21 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 126.899 2.079 . . . . 0.0 110.369 171.5 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.3 mp -117.97 108.42 24.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 126.002 1.721 . . . . 0.0 108.813 173.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.524 HD21 HD21 ' A' ' 5' ' ' LEU . 68.3 mt -80.23 77.84 6.94 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.458 1.103 . . . . 0.0 108.283 169.126 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -61.91 45.81 0.01 OUTLIER 'General case' 0 CA--C 1.564 1.495 0 C-N-CA 125.819 1.648 . . . . 0.0 114.285 171.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -77.55 119.44 5.29 Favored Glycine 0 CA--C 1.528 0.846 0 O-C-N 119.194 -2.191 . . . . 0.0 112.877 179.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.9 ttpm? -26.2 -64.79 0.07 Allowed 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 127.922 2.489 . . . . 0.0 115.168 -173.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.8 m -98.8 -19.44 17.42 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.317 0.647 . . . . 0.0 112.459 -171.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -117.96 -1.45 11.47 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 117.259 2.318 . . . . 0.0 117.259 -168.053 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.555 ' H ' ' HE2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -33.75 146.76 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 118.216 2.673 . . . . 0.0 118.216 -168.604 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.88 -165.42 25.25 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 117.69 1.836 . . . . 0.0 117.69 169.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -142.43 157.82 44.35 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.781 1.232 . . . . 0.0 111.853 -175.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.7 t -156.27 -177.16 6.39 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.418 1.487 . . . . 0.0 110.503 171.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 70.7 p -142.57 171.51 13.96 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.686 1.594 . . . . 0.0 110.806 174.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.9 t -158.98 149.39 19.6 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.37 -0.831 . . . . 0.0 111.743 173.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.1 tp10 -74.6 120.51 20.26 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 106.873 -1.528 . . . . 0.0 106.873 167.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -137.54 174.17 10.88 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.58 1.552 . . . . 0.0 112.0 177.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.3 p -84.05 -31.4 7.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 O-C-N 121.482 -0.762 . . . . 0.0 112.469 169.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.463 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 2.1 t70 167.46 -158.09 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.09 1 C-N-CA 132.227 4.211 . . . . 0.0 107.462 176.361 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.76 -22.46 2.14 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 120.467 -1.395 . . . . 0.0 114.135 169.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.91 -5.39 16.64 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.437 1.095 . . . . 0.0 113.628 173.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.0 m -135.48 -37.4 0.77 Allowed 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.646 1.578 . . . . 0.0 112.236 172.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.21 -38.66 91.14 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.717 1.207 . . . . 0.0 111.008 177.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -75.41 4.13 7.89 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 114.435 1.272 . . . . 0.0 114.435 178.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.42 ' HE3' HG23 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -131.89 18.52 4.62 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 120.428 -1.42 . . . . 0.0 111.532 172.884 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.42 HG23 ' HE3' ' A' ' 28' ' ' LYS . 3.6 t -120.06 -51.97 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 125.358 1.463 . . . . 0.0 110.094 178.013 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.608 ' HB3' HD22 ' A' ' 5' ' ' LEU . 23.3 m-85 -61.71 -26.33 67.97 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 176.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -54.4 -29.11 47.89 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.113 1.365 . . . . 0.0 113.164 173.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -82.79 -50.92 8.15 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.304 0.642 . . . . 0.0 110.406 178.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -60.08 -43.44 95.47 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.025 0.93 . . . . 0.0 112.231 179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.15 -51.99 67.4 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 121.322 -0.861 . . . . 0.0 111.064 178.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 59.4 m-80 -70.41 -18.55 63.02 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-O 117.915 -1.04 . . . . 0.0 113.769 -179.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . 0.323 1.1 p30 -86.16 -17.22 35.49 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 120.267 1.394 . . . . 0.0 114.116 171.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 58.9 m-80 -84.61 -41.14 16.68 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 166.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.29 -1.16 5.71 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 128.758 3.075 . . . . 0.0 115.436 171.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 55.7 t -80.77 154.13 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 CA-C-N 118.805 1.303 . . . . 0.0 113.079 177.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -169.32 48.52 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 126.029 1.732 . . . . 0.0 111.267 168.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.419 ' H ' HG22 ' A' ' 54' ' ' VAL . . . -83.37 -137.11 3.01 Favored Glycine 0 CA--C 1.538 1.528 0 C-N-CA 125.354 1.454 . . . . 0.0 116.135 -176.479 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -70.67 82.22 0.61 Allowed 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.477 1.111 . . . . 0.0 112.752 -176.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 80.4 m95 -59.95 109.68 1.01 Allowed 'General case' 0 C--O 1.236 0.344 0 O-C-N 120.113 -1.617 . . . . 0.0 110.515 -179.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.84 163.66 21.71 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 127.028 2.131 . . . . 0.0 110.968 -174.669 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -153.66 166.26 33.37 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.056 1.342 . . . . 0.0 111.14 179.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -139.79 158.2 44.49 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.058 1.343 . . . . 0.0 111.426 175.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.507 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -120.62 4.93 10.6 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 -177.298 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -102.18 -29.98 11.4 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.766 1.626 . . . . 0.0 111.73 170.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.4 t -126.11 1.17 7.2 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.273 1.029 . . . . 0.0 113.582 177.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.507 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 3.2 mmpt? 52.55 41.98 31.25 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.092 1.357 . . . . 0.0 113.631 168.697 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.2 m -122.84 112.81 18.32 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 125.708 1.603 . . . . 0.0 109.363 -170.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -66.08 160.09 24.64 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.127 0.971 . . . . 0.0 111.32 169.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 23.7 m -145.41 157.94 43.93 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 125.365 1.466 . . . . 0.0 108.201 169.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.461 ' CG1' HD23 ' A' ' 7' ' ' LEU . 13.2 p -157.29 82.26 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 C-N-CA 124.902 1.281 . . . . 0.0 110.922 -179.262 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 28.3 m -74.96 115.59 14.75 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.186 0.994 . . . . 0.0 112.361 -177.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.5 159.53 16.98 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.426 1.49 . . . . 0.0 113.187 175.277 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -160.59 -18.48 0.03 OUTLIER Glycine 0 CA--C 1.534 1.228 0 CA-C-O 117.697 -1.613 . . . . 0.0 114.983 169.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.5 t -164.01 -7.86 0.03 OUTLIER 'General case' 0 CA--C 1.551 0.991 0 N-CA-C 116.502 2.038 . . . . 0.0 116.502 -174.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 13.4 t-160 -66.29 -37.56 85.71 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 120.865 1.666 . . . . 0.0 113.026 -176.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 -145.45 -39.28 0.24 Allowed 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.602 1.961 . . . . 0.0 111.192 177.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -71.86 106.6 4.26 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.335 1.454 . . . . 0.0 109.913 169.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 -54.53 156.45 3.42 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 125.885 1.674 . . . . 0.0 114.474 -177.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -61.47 -22.78 65.37 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 126.077 1.751 . . . . 0.0 114.949 -174.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 32.5 t-80 -150.31 159.82 44.17 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.846 1.658 . . . . 0.0 110.923 -171.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 40.6 tpp -152.7 -32.07 0.13 Allowed 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 115.21 1.559 . . . . 0.0 115.21 -176.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 18.6 p80 -154.35 171.76 18.78 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.322 1.449 . . . . 0.0 111.492 -174.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? -61.19 165.34 4.49 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.555 0.742 . . . . 0.0 112.344 176.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -146.26 161.9 39.26 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 -167.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -163.98 154.94 15.77 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 127.522 2.329 . . . . 0.0 108.795 168.461 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 78.6 m 106.8 -19.84 0.0 OUTLIER Pre-proline 0 CA--C 1.559 1.292 0 C-N-CA 131.223 3.809 . . . . 0.0 116.22 -171.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -78.39 66.74 8.42 Favored 'Trans proline' 0 C--N 1.361 1.235 0 CA-C-N 124.386 2.602 . . . . 0.0 111.846 179.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.5 tp 65.95 -43.04 0.38 Allowed 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 129.351 3.061 . . . . 0.0 114.296 -170.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 51.36 -67.4 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 129.865 3.266 . . . . 0.0 115.272 -173.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 57.44 -11.12 0.02 OUTLIER 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 129.204 3.002 . . . . 0.0 117.476 177.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 38.2 mttm -99.25 148.71 23.85 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 127.526 2.33 . . . . 0.0 110.367 -175.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 24.0 t -135.61 140.35 44.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 125.617 1.567 . . . . 0.0 111.042 -169.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -95.0 148.62 22.14 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 125.748 1.619 . . . . 0.0 108.962 168.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.568 HG13 ' HB3' ' A' ' 113' ' ' ALA . 0.2 OUTLIER -153.75 155.45 6.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 122.8 1.286 . . . . 0.0 112.897 174.785 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -147.8 149.31 21.38 Favored Glycine 0 CA--C 1.534 1.224 0 C-N-CA 125.287 1.422 . . . . 0.0 110.441 168.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 12.4 p-10 -160.08 152.01 20.28 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.337 -1.096 . . . . 0.0 113.527 -169.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 37.2 tp 56.56 -57.17 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 130.226 3.41 . . . . 0.0 116.623 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 117.09 -17.4 12.77 Favored Glycine 0 CA--C 1.541 1.677 0 C-N-CA 127.191 2.329 . . . . 0.0 112.568 -169.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -150.13 37.89 0.71 Allowed 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 125.497 1.519 . . . . 0.0 114.078 -175.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 39.8 t-20 -132.52 117.61 18.21 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.369 1.468 . . . . 0.0 110.852 169.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -133.8 49.94 0.89 Allowed Glycine 0 CA--C 1.533 1.166 0 C-N-CA 126.35 1.929 . . . . 0.0 111.315 172.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -122.65 4.23 9.54 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 125.655 1.582 . . . . 0.0 113.092 -170.085 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.25 15.6 pttp 52.01 -29.4 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 131.228 3.811 . . . . 0.0 119.707 -175.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 66.8 m -47.79 -49.78 27.71 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 120.9 1.682 . . . . 0.0 115.053 -169.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -76.35 -45.87 30.09 Favored 'General case' 0 CA--C 1.529 0.157 0 O-C-N 121.54 -0.725 . . . . 0.0 111.662 -178.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.6 pp -61.31 -33.6 73.86 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.708 1.14 . . . . 0.0 111.915 176.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -61.44 -48.3 81.77 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.602 1.561 . . . . 0.0 112.178 175.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.52 -39.35 88.59 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 119.478 1.035 . . . . 0.0 111.873 171.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.01 -42.45 99.17 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 124.208 1.003 . . . . 0.0 111.987 -177.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.717 ' CD1' HD23 ' A' ' 130' ' ' LEU . 10.3 m-85 -68.14 -63.04 1.14 Allowed 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 124.918 1.287 . . . . 0.0 110.988 174.119 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.4 ' HA2' ' O ' ' A' ' 98' ' ' GLY . . . -57.66 -19.72 36.31 Favored Glycine 0 CA--C 1.545 1.951 0 N-CA-C 115.729 1.052 . . . . 0.0 115.729 -175.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -55.78 -49.1 74.08 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.828 2.051 . . . . 0.0 112.956 168.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.462 ' HE2' HD22 ' A' ' 130' ' ' LEU . 95.2 m-85 -65.85 -41.99 91.03 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.377 0.671 . . . . 0.0 110.484 173.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.4 ' O ' ' HA2' ' A' ' 95' ' ' GLY . . . -179.68 162.32 28.84 Favored Glycine 0 N--CA 1.471 1.005 0 CA-C-O 118.656 -1.08 . . . . 0.0 114.136 169.215 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -58.7 147.95 85.23 Favored 'Trans proline' 0 CA--C 1.534 0.488 0 C-N-CA 122.52 2.147 . . . . 0.0 114.772 -168.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.581 HD13 ' CG2' ' A' ' 103' ' ' VAL . 14.2 mt -100.31 140.72 34.15 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.967 1.707 . . . . 0.0 110.756 -175.209 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 27.2 ttp-105 -96.15 -29.03 14.29 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.288 1.435 . . . . 0.0 112.033 173.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 20.3 p -155.73 155.57 33.35 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.789 1.236 . . . . 0.0 111.889 168.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.581 ' CG2' HD13 ' A' ' 100' ' ' LEU . 11.2 t -143.37 136.22 24.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 125.547 1.539 . . . . 0.0 107.945 173.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 72.8 t90 -145.2 147.68 32.71 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 124.83 1.252 . . . . 0.0 111.105 -174.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.2 m -143.84 153.32 15.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 124.109 0.964 . . . . 0.0 110.317 176.125 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -100.05 128.72 46.09 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 121.373 0.606 . . . . 0.0 111.443 -174.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 34.6 ptt-85 -71.97 -29.26 64.07 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 114.665 1.358 . . . . 0.0 114.665 -176.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 31.5 m-20 -78.22 -40.19 1.84 Allowed Pre-proline 0 CA--C 1.55 0.953 0 CA-C-O 117.834 -1.079 . . . . 0.0 112.711 -177.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -111.54 82.01 0.01 OUTLIER 'Trans proline' 0 CA--C 1.549 1.231 0 C-N-CA 124.87 3.713 . . . . 0.0 110.064 169.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -71.52 69.13 2.75 Favored 'Trans proline' 0 CA--C 1.543 0.962 0 C-N-CA 124.358 3.372 . . . . 0.0 112.826 -176.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -169.35 20.3 0.08 OUTLIER Glycine 0 CA--C 1.538 1.529 0 C-N-CA 127.917 2.675 . . . . 0.0 111.885 173.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -146.64 145.31 30.01 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 128.031 2.533 . . . . 0.0 108.261 -169.538 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.568 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -158.91 170.68 21.56 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 114.197 1.184 . . . . 0.0 114.197 -168.249 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -142.95 163.08 33.75 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.111 0.964 . . . . 0.0 111.833 169.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.498 HG21 ' CD2' ' A' ' 94' ' ' PHE . 1.4 t -152.52 163.31 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 125.523 1.529 . . . . 0.0 111.845 -171.324 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 60.1 tt0 -142.38 121.45 12.91 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.409 1.484 . . . . 0.0 107.608 165.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.418 ' CZ ' ' HB3' ' A' ' 94' ' ' PHE . 23.1 m-85 -84.36 168.55 15.49 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.555 -0.716 . . . . 0.0 112.507 178.109 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -74.94 -42.8 57.0 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 121.147 -0.97 . . . . 0.0 112.149 176.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -116.28 129.22 25.39 Favored Pre-proline 0 CA--C 1.547 0.843 0 C-N-CA 126.55 1.94 . . . . 0.0 108.568 174.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -50.92 -26.83 19.16 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 123.705 2.937 . . . . 0.0 114.722 173.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.27 -25.47 63.37 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 119.006 0.821 . . . . 0.0 112.993 173.029 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -68.81 -44.34 73.75 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 119.689 1.131 . . . . 0.0 110.233 169.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.82 -37.41 84.32 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.063 0.545 . . . . 0.0 111.861 171.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.34 -43.77 89.84 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.355 0.98 . . . . 0.0 112.431 173.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -56.64 -41.4 77.1 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 119.046 0.839 . . . . 0.0 111.696 171.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -73.43 -45.58 53.61 Favored 'General case' 0 CA--C 1.545 0.772 0 O-C-N 121.41 -0.806 . . . . 0.0 112.199 179.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 55.9 t -61.71 -26.72 40.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 O-C-N 119.764 -1.835 . . . . 0.0 112.342 174.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 31.1 ttp-105 -85.51 -37.91 19.15 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.425 1.09 . . . . 0.0 113.685 174.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -120.62 -26.59 5.28 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 116.3 1.963 . . . . 0.0 116.3 -167.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.717 HD23 ' CD1' ' A' ' 94' ' ' PHE . 6.7 tp -87.37 -19.73 27.72 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 126.012 1.725 . . . . 0.0 112.23 176.392 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -70.91 147.37 48.83 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.613 1.565 . . . . 0.0 113.366 169.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 60.26 -10.57 0.04 OUTLIER Glycine 0 CA--C 1.536 1.368 0 N-CA-C 122.013 3.565 . . . . 0.0 122.013 167.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -76.12 -83.4 0.07 Allowed 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 121.884 2.842 . . . . 0.0 110.387 -178.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 4.3 m -176.97 148.06 0.62 Allowed 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 129.792 3.237 . . . . 0.0 106.772 -177.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 15.9 tp -158.74 143.08 15.69 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 104.817 -2.29 . . . . 0.0 104.817 170.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 22.2 m 67.59 -49.94 0.51 Allowed 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.465 1.906 . . . . 0.0 111.262 -167.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 147.89 26.63 0.07 OUTLIER Glycine 0 CA--C 1.531 1.087 0 N-CA-C 118.662 2.225 . . . . 0.0 118.662 167.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 2.2 m -141.55 -73.29 0.33 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 120.247 2.023 . . . . 0.0 109.221 174.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -135.26 153.76 51.79 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.468 1.107 . . . . 0.0 111.691 179.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 8.6 p -143.89 144.17 23.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 C-N-CA 127.141 2.176 . . . . 0.0 108.557 169.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.38 129.35 18.48 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 126.065 1.746 . . . . 0.0 108.601 179.408 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 60.7 t -144.49 132.15 17.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 123.661 0.784 . . . . 0.0 108.958 -169.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -137.01 165.67 25.48 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.639 1.109 . . . . 0.0 111.378 177.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 16.0 tp -75.6 129.52 37.32 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 120.651 -1.28 . . . . 0.0 108.656 169.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 33.4 t -63.44 127.5 31.59 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.531 0.682 . . . . 0.0 110.956 -173.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -137.77 2.63 2.42 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.157 1.783 . . . . 0.0 112.783 -170.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -69.21 -48.76 44.2 Favored Glycine 0 CA--C 1.535 1.287 0 CA-C-N 119.567 1.076 . . . . 0.0 113.148 173.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -159.4 162.21 35.75 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.683 1.593 . . . . 0.0 111.36 170.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -112.23 92.69 4.12 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 126.656 1.983 . . . . 0.0 109.209 -173.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.188 0 C-N-CA 127.834 2.453 . . . . 0.0 113.097 -168.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 151' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.981 1 C3'-C2'-C1' 105.613 4.57 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 152' ' ' ' A' . . . . . 0.485 " H4'" ' C5 ' ' B' ' 153' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.533 1.791 2 P-O3'-C3' 125.76 5.05 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 153' ' ' ' U' . . . . . 0.485 ' C5 ' " H4'" ' B' ' 152' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.545 2.677 1 C3'-C2'-C1' 106.604 5.671 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 154' ' ' ' C' . . . . . 0.4 H5'' " H3'" ' B' ' 153' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.547 2.813 4 O4'-C1'-N19 114.04 5.84 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 mpp? . . . . . 0 N--CA 1.485 1.312 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -86.87 142.45 28.03 Favored 'General case' 0 CA--C 1.547 0.833 0 O-C-N 120.817 -1.177 . . . . 0.0 112.054 177.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.48 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 73.3 m-85 -125.97 158.44 35.23 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 127.515 2.326 . . . . 0.0 108.794 179.387 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 73.6 tttt -108.43 161.76 14.74 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.068 1.347 . . . . 0.0 111.575 -179.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.746 HD22 ' HB3' ' A' ' 30' ' ' PHE . 24.0 tp -142.11 142.68 32.81 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 127.024 2.13 . . . . 0.0 110.272 172.686 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.4 mp -117.17 127.48 74.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 126.164 1.786 . . . . 0.0 109.238 172.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.8 mp -109.16 64.79 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 129.046 2.938 . . . . 0.0 109.152 -174.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -63.84 37.77 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 128.857 2.863 . . . . 0.0 117.016 -174.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.86 145.67 18.38 Favored Glycine 0 CA--C 1.524 0.629 0 O-C-N 120.92 -1.113 . . . . 0.0 115.202 -168.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.2 tptp -44.91 -38.41 4.63 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 128.385 2.674 . . . . 0.0 115.777 -169.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.2 p -123.75 9.14 8.86 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 -170.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.599 HD13 ' HB3' ' A' ' 37' ' ' ASN . 2.4 pp -149.35 -7.8 0.34 Allowed 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 117.657 2.465 . . . . 0.0 117.657 -168.352 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . 0.278 0.0 OUTLIER -20.62 133.09 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 119.379 3.103 . . . . 0.0 119.379 -166.726 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -172.94 -156.79 13.32 Favored Glycine 0 N--CA 1.469 0.867 0 N-CA-C 118.041 1.976 . . . . 0.0 118.041 170.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -145.35 163.89 33.16 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.831 1.653 . . . . 0.0 111.453 -176.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.3 t -159.01 -176.12 5.68 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.777 1.631 . . . . 0.0 111.015 170.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 65.8 p -142.9 168.16 20.37 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 126.244 1.818 . . . . 0.0 110.93 173.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.621 HG21 ' CG1' ' A' ' 29' ' ' VAL . 4.8 t -156.07 149.77 24.99 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.367 1.067 . . . . 0.0 111.085 177.418 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -77.63 119.24 20.9 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 167.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.45 175.4 9.64 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.284 1.434 . . . . 0.0 113.096 176.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 50.0 t -84.85 -38.44 13.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 O-C-N 121.345 -0.847 . . . . 0.0 111.673 170.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.48 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 2.8 t70 174.69 -156.8 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 131.248 3.819 . . . . 0.0 106.891 173.243 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.82 -21.44 1.68 Allowed 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 120.618 1.554 . . . . 0.0 114.082 169.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.18 -7.32 22.73 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.971 1.309 . . . . 0.0 113.848 173.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 53.4 m -138.0 -36.1 0.62 Allowed 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.977 1.711 . . . . 0.0 112.218 176.364 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.422 ' HA ' HG12 ' A' ' 29' ' ' VAL . . . -64.9 -36.15 83.43 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.047 1.339 . . . . 0.0 110.594 175.729 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -77.66 5.51 9.09 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 114.993 1.479 . . . . 0.0 114.993 178.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.61 16.43 3.98 Favored 'General case' 0 N--CA 1.464 0.265 0 O-C-N 120.415 -1.428 . . . . 0.0 111.932 173.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.621 ' CG1' HG21 ' A' ' 18' ' ' THR . 3.1 p -124.38 -41.02 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 124.205 1.002 . . . . 0.0 112.411 -179.686 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.746 ' HB3' HD22 ' A' ' 5' ' ' LEU . 23.9 m-85 -65.16 -29.62 70.47 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 118.997 -0.525 . . . . 0.0 111.826 170.36 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -55.22 -28.76 55.43 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.046 1.338 . . . . 0.0 113.146 177.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.44 -57.17 3.91 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 122.996 0.518 . . . . 0.0 110.445 175.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -63.69 -38.97 93.1 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.574 1.15 . . . . 0.0 112.473 -174.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.531 ' HB1' HG23 ' A' ' 39' ' ' VAL . . . -55.81 -52.78 62.81 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 125.204 1.402 . . . . 0.0 111.181 174.011 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 -63.2 -22.69 67.03 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 177.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -81.25 -27.81 35.02 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 119.336 0.971 . . . . 0.0 113.463 174.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.599 ' HB3' HD13 ' A' ' 12' ' ' LEU . 44.2 m-80 -76.75 -45.25 29.92 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 107.132 -1.432 . . . . 0.0 107.132 168.424 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 139.23 -8.04 3.19 Favored Glycine 0 CA--C 1.529 0.952 0 C-N-CA 127.1 2.286 . . . . 0.0 114.159 167.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.538 HG13 HD11 ' A' ' 12' ' ' LEU . 2.7 m -70.08 153.77 8.44 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.109 0.964 . . . . 0.0 113.367 176.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -168.92 22.59 0.02 OUTLIER 'General case' 0 CA--C 1.56 1.336 0 N-CA-C 115.53 1.678 . . . . 0.0 115.53 169.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.99 -131.18 0.58 Allowed Glycine 0 CA--C 1.541 1.71 0 C-N-CA 127.299 2.38 . . . . 0.0 116.194 -171.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -71.77 81.4 0.87 Allowed 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.067 1.347 . . . . 0.0 112.621 -175.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 87.3 m95 -60.23 118.51 6.46 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 124.675 1.19 . . . . 0.0 110.836 179.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.74 163.46 22.79 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 126.796 2.039 . . . . 0.0 110.916 -172.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -151.28 167.08 28.98 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.848 1.259 . . . . 0.0 111.219 177.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -139.65 125.26 19.32 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.57 1.548 . . . . 0.0 108.974 170.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.46 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 3.5 m-20 -84.48 -3.14 58.21 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 115.1 1.518 . . . . 0.0 115.1 -175.28 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -107.73 -29.49 9.08 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.066 1.346 . . . . 0.0 112.29 -178.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.1 t -111.63 0.46 16.37 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.671 0.789 . . . . 0.0 112.686 172.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.46 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 4.1 mmpt? 54.61 39.59 31.3 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 126.122 1.769 . . . . 0.0 113.008 169.472 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.9 m -122.74 108.8 13.46 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.93 1.292 . . . . 0.0 109.904 -170.222 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -64.71 161.64 17.46 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 122.395 1.093 . . . . 0.0 111.33 169.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 26.5 m -145.46 159.01 43.72 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 125.5 1.52 . . . . 0.0 107.519 169.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.2 p -148.28 124.03 2.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 C-N-CA 126.768 2.027 . . . . 0.0 106.473 171.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.6 m -129.59 129.08 43.95 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-O 121.863 0.839 . . . . 0.0 111.328 -176.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.49 ' CD ' HG12 ' A' ' 39' ' ' VAL . 5.7 mp0 -82.92 62.95 6.76 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.367 1.067 . . . . 0.0 112.46 -169.627 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.65 85.96 0.04 OUTLIER Glycine 0 CA--C 1.534 1.228 0 C-N-CA 125.857 1.694 . . . . 0.0 110.592 169.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 54.9 p -128.06 12.18 6.62 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 126.124 1.77 . . . . 0.0 114.533 -168.066 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -71.63 38.12 0.06 Allowed 'General case' 0 CA--C 1.556 1.179 0 C-N-CA 126.981 2.113 . . . . 0.0 113.794 179.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 20.2 t-80 -138.99 7.39 2.46 Favored 'General case' 0 CA--C 1.557 1.222 0 C-N-CA 126.453 1.901 . . . . 0.0 113.282 -169.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -142.55 -69.85 0.34 Allowed 'General case' 0 N--CA 1.478 0.967 0 O-C-N 120.178 -1.576 . . . . 0.0 113.996 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -161.43 73.53 0.44 Allowed 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.472 1.109 . . . . 0.0 110.379 -172.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.44 ' CG ' ' H ' ' A' ' 64' ' ' HIS . 20.1 t-80 46.11 -113.36 0.42 Allowed 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 124.818 1.247 . . . . 0.0 112.029 -179.526 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.44 ' H ' ' CG ' ' A' ' 63' ' ' HIS . 28.9 t-80 -152.07 133.93 14.86 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.584 1.954 . . . . 0.0 108.726 171.332 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 27.7 ttt -154.99 147.8 24.47 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.05 0.94 . . . . 0.0 111.573 -178.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 46.1 m-70 -141.25 151.57 43.82 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 125.67 1.588 . . . . 0.0 111.507 176.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -154.8 49.67 0.59 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.421 1.888 . . . . 0.0 108.407 170.195 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -141.39 -77.52 0.28 Allowed 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 126.0 1.72 . . . . 0.0 109.839 -169.138 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.2 t -81.88 171.28 14.66 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 119.204 0.911 . . . . 0.0 110.538 168.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 56.8 m -121.55 -24.68 0.06 OUTLIER Pre-proline 0 CA--C 1.553 1.088 0 N-CA-C 118.92 2.933 . . . . 0.0 118.92 -168.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -80.02 45.83 2.07 Favored 'Trans proline' 0 CA--C 1.551 1.371 0 C-N-CA 123.765 2.977 . . . . 0.0 113.579 -173.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.1 mp -118.67 24.65 10.76 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 127.968 2.507 . . . . 0.0 110.071 -174.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -58.07 -5.32 0.44 Allowed 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 117.475 2.398 . . . . 0.0 117.475 -168.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 20.6 p -65.22 -18.55 65.4 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 114.882 1.438 . . . . 0.0 114.882 178.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . 0.253 0.0 OUTLIER -76.12 128.32 34.73 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 119.186 0.903 . . . . 0.0 112.555 170.303 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 55.8 t -127.27 143.47 40.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 127.733 2.413 . . . . 0.0 111.789 -168.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -93.94 148.82 21.78 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 126.295 1.838 . . . . 0.0 110.839 170.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.554 HG13 ' HB3' ' A' ' 113' ' ' ALA . 0.9 OUTLIER -152.21 148.77 14.18 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.151 0 CA-C-O 122.706 1.241 . . . . 0.0 113.14 169.664 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -149.52 136.89 5.96 Favored Glycine 0 CA--C 1.528 0.896 0 C-N-CA 125.435 1.493 . . . . 0.0 109.376 168.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -155.28 147.25 23.49 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 115.563 1.69 . . . . 0.0 115.563 -168.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.3 tt 57.89 -50.54 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 131.39 3.876 . . . . 0.0 116.002 178.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 133.86 -26.0 3.49 Favored Glycine 0 CA--C 1.54 1.625 0 C-N-CA 128.108 2.766 . . . . 0.0 110.561 -168.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -144.84 116.5 8.15 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.883 2.073 . . . . 0.0 109.996 171.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -150.52 7.05 0.56 Allowed 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 127.719 2.408 . . . . 0.0 113.083 -178.218 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -74.84 36.09 1.04 Allowed Glycine 0 CA--C 1.536 1.404 0 C-N-CA 126.847 2.165 . . . . 0.0 116.114 -170.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -125.26 3.8 7.81 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 127.188 2.195 . . . . 0.0 111.364 173.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.4 pttp 52.27 -20.22 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 130.975 3.71 . . . . 0.0 119.578 -175.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 19.1 m -45.66 -56.88 4.69 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 126.076 1.75 . . . . 0.0 115.365 -169.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 50.9 tt0 -75.95 -43.93 42.47 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 121.454 -0.779 . . . . 0.0 111.219 -175.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.419 HD12 ' N ' ' A' ' 91' ' ' GLU . 3.5 pp -60.98 -34.06 74.19 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 119.314 0.961 . . . . 0.0 112.034 177.102 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.419 ' N ' HD12 ' A' ' 90' ' ' LEU . 31.8 tt0 -63.37 -46.4 86.69 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 124.759 1.224 . . . . 0.0 111.707 177.225 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.2 -36.98 82.87 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 119.155 0.888 . . . . 0.0 112.197 170.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.06 -44.95 95.57 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.096 0.958 . . . . 0.0 111.567 -177.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.488 ' HB2' HD11 ' A' ' 100' ' ' LEU . 12.5 m-85 -66.6 -64.09 0.93 Allowed 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 124.898 1.279 . . . . 0.0 112.011 174.49 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.44 -19.18 46.53 Favored Glycine 0 CA--C 1.546 1.974 0 N-CA-C 115.323 0.889 . . . . 0.0 115.323 -173.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -54.94 -49.3 71.69 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.987 1.715 . . . . 0.0 113.218 168.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -69.61 -41.06 76.19 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.431 0.692 . . . . 0.0 111.125 176.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -172.13 155.58 23.89 Favored Glycine 0 N--CA 1.472 1.059 0 CA-C-O 118.177 -1.346 . . . . 0.0 113.51 169.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -57.18 141.67 94.42 Favored 'Trans proline' 0 N--CA 1.462 -0.362 0 CA-C-N 121.255 2.527 . . . . 0.0 114.562 -169.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.581 HD13 ' CG2' ' A' ' 103' ' ' VAL . 17.9 mt -87.05 159.27 19.01 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.461 1.504 . . . . 0.0 111.475 171.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 33.1 ttp-105 -118.78 -30.46 5.09 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.679 1.592 . . . . 0.0 111.983 171.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.2 m -144.96 148.56 33.94 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.821 1.249 . . . . 0.0 110.706 169.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.581 ' CG2' HD13 ' A' ' 100' ' ' LEU . 68.8 t -138.17 131.06 40.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 125.452 1.501 . . . . 0.0 107.749 171.346 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 77.1 t90 -139.38 144.08 38.02 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 125.333 1.453 . . . . 0.0 110.04 -170.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 10.5 m -144.53 155.52 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 C-N-CA 124.391 1.076 . . . . 0.0 108.887 177.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -105.58 128.91 53.88 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 122.805 0.442 . . . . 0.0 110.187 176.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.83 -42.72 99.85 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-O 118.779 -0.629 . . . . 0.0 111.381 174.059 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -50.16 -61.65 3.48 Favored Pre-proline 0 CA--C 1.549 0.919 0 CA-C-O 117.247 -1.358 . . . . 0.0 111.299 -170.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -99.04 95.18 0.06 OUTLIER 'Trans proline' 0 CA--C 1.55 1.31 0 C-N-CA 123.638 2.892 . . . . 0.0 106.107 165.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -70.87 26.43 0.21 Allowed 'Trans proline' 0 CA--C 1.543 0.936 0 C-N-CA 124.064 3.176 . . . . 0.0 115.81 -168.388 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -137.1 17.73 3.58 Favored Glycine 0 N--CA 1.476 1.315 0 C-N-CA 125.978 1.751 . . . . 0.0 113.571 -178.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -136.68 146.43 45.91 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 127.41 2.284 . . . . 0.0 108.583 -174.376 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.554 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -163.61 175.92 10.17 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 -166.608 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -147.35 147.52 30.4 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.476 0.71 . . . . 0.0 111.733 172.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.441 HG11 ' CE2' ' A' ' 94' ' ' PHE . 17.1 m -135.5 170.8 18.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 O-C-N 120.734 -1.229 . . . . 0.0 112.993 178.002 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 48.9 tt0 -141.48 110.2 6.09 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 125.745 1.618 . . . . 0.0 107.785 179.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -75.86 160.56 29.81 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 173.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -58.01 -44.38 87.21 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.773 -0.579 . . . . 0.0 111.557 174.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -139.16 148.2 56.35 Favored Pre-proline 0 CA--C 1.546 0.802 0 O-C-N 120.956 -1.09 . . . . 0.0 111.531 -179.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_exo -49.74 -34.55 36.01 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 124.26 3.307 . . . . 0.0 115.253 177.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.34 -31.07 71.66 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 173.506 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -74.25 -44.43 52.99 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 118.327 0.512 . . . . 0.0 110.989 174.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.82 -39.21 88.16 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 172.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.13 -48.58 73.08 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 118.838 0.745 . . . . 0.0 112.324 176.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -58.04 -42.19 84.84 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 118.932 0.787 . . . . 0.0 111.817 174.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.78 -62.82 1.4 Allowed 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 123.146 0.579 . . . . 0.0 109.949 177.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 46.5 t -50.2 -40.46 17.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.559 1.144 . . . . 0.0 112.276 -179.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 37.9 ttp-105 -63.27 -42.06 99.09 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 177.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -102.06 -12.97 17.73 Favored 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 115.764 1.764 . . . . 0.0 115.764 -177.311 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.422 ' CD2' ' CD1' ' A' ' 94' ' ' PHE . 12.3 tp -106.63 -18.19 14.03 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 126.222 1.809 . . . . 0.0 113.584 -169.145 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -81.84 158.93 23.86 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 124.966 1.306 . . . . 0.0 113.149 177.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 60.17 -17.39 0.04 OUTLIER Glycine 0 CA--C 1.54 1.608 0 C-N-CA 129.129 3.252 . . . . 0.0 120.265 169.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 60.7 mtt85 -86.82 -37.48 17.73 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-N 119.413 1.607 . . . . 0.0 114.932 -169.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.4 t 123.57 160.23 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.627 1 C-N-CA 133.541 4.737 . . . . 0.0 110.245 -178.248 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 58.1 tp -161.66 138.89 8.65 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 127.664 2.386 . . . . 0.0 105.599 -178.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 53.0 m 66.17 -54.4 0.39 Allowed 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 125.002 1.321 . . . . 0.0 110.528 -167.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 141.7 60.64 0.03 OUTLIER Glycine 0 C--N 1.349 1.259 0 N-CA-C 118.544 2.178 . . . . 0.0 118.544 167.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 43.8 t -155.5 -61.77 0.11 Allowed 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 118.999 1.4 . . . . 0.0 111.721 169.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -164.56 150.06 10.17 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 126.283 1.833 . . . . 0.0 109.901 174.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 9.2 p -133.32 145.63 33.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 124.118 0.967 . . . . 0.0 112.397 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.99 121.78 28.69 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 128.015 2.526 . . . . 0.0 107.097 169.549 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 24.0 t -138.49 126.59 29.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 106.756 -1.572 . . . . 0.0 106.756 176.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -144.47 177.34 8.72 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 121.034 -1.041 . . . . 0.0 111.765 -169.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 9.5 mp -83.69 128.13 34.3 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 120.246 -1.534 . . . . 0.0 108.252 169.343 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.1 m -54.66 122.06 9.83 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.179 0.592 . . . . 0.0 111.458 177.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -136.91 -1.0 2.24 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.41 1.884 . . . . 0.0 111.718 -174.632 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -65.2 171.29 24.21 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 124.756 1.17 . . . . 0.0 114.445 175.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -136.83 149.82 47.95 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 126.229 1.812 . . . . 0.0 108.539 173.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . 0.452 ' HB2' ' HE2' ' A' ' 149' ' ' LYS . 0.0 OUTLIER -105.45 151.62 24.02 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 114.093 1.145 . . . . 0.0 114.093 -168.082 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.254 1.339 0 C-N-CA 125.736 1.614 . . . . 0.0 113.047 -169.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 151' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.099 3 C3'-C2'-C1' 105.753 4.725 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 152' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.433 -1.632 4 P-O3'-C3' 126.167 5.389 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.397 0 C3'-C2'-C1' 104.38 3.2 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.254 2 O4'-C1'-N19 113.043 4.843 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.5 tpt . . . . . 0 N--CA 1.486 1.337 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -92.66 136.33 33.32 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.915 1.234 . . . . 0.0 111.73 176.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.472 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 81.1 m-85 -122.53 153.17 39.57 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 127.158 2.183 . . . . 0.0 108.527 -175.473 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -105.95 163.13 13.0 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.344 1.058 . . . . 0.0 111.285 178.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.581 HD22 ' HB3' ' A' ' 30' ' ' PHE . 13.9 tp -144.18 139.14 28.59 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 127.023 2.129 . . . . 0.0 109.819 172.547 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.6 mp -115.0 109.02 26.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 125.867 1.667 . . . . 0.0 108.324 171.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.559 HD21 HD21 ' A' ' 5' ' ' LEU . 78.4 mt -77.35 74.79 3.91 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 124.804 1.242 . . . . 0.0 109.153 169.622 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.481 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 26.7 t30 -66.71 45.72 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 125.825 1.65 . . . . 0.0 114.813 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.78 125.49 7.96 Favored Glycine 0 CA--C 1.525 0.684 0 O-C-N 120.653 -1.279 . . . . 0.0 113.235 -177.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -35.9 -51.82 0.72 Allowed 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 128.61 2.764 . . . . 0.0 115.003 -172.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -113.76 1.64 14.91 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.521 1.128 . . . . 0.0 113.128 -169.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -146.49 -1.69 0.7 Allowed 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 117.092 2.256 . . . . 0.0 117.092 -169.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.618 ' HE2' ' H ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -34.61 149.03 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 119.308 3.077 . . . . 0.0 119.308 -168.519 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -166.63 -155.14 8.75 Favored Glycine 0 CA--C 1.533 1.188 0 CA-C-N 114.043 -1.435 . . . . 0.0 115.885 169.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -158.93 163.76 36.24 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.773 1.629 . . . . 0.0 112.275 -175.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.8 t -159.0 -174.96 5.01 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 126.185 1.794 . . . . 0.0 110.391 174.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 78.2 p -141.01 172.26 12.92 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.612 1.565 . . . . 0.0 110.522 172.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.3 t -158.88 152.47 23.01 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 121.131 -0.98 . . . . 0.0 111.538 173.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -79.29 123.61 27.61 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 167.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.408 ' HB3' ' CD1' ' A' ' 3' ' ' TYR . . . -143.93 173.93 11.28 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.115 1.766 . . . . 0.0 112.077 -178.416 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.1 p -86.36 -31.61 6.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 O-C-N 121.567 -0.708 . . . . 0.0 112.75 171.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.472 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 2.1 t70 167.82 -157.79 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.077 1 C-N-CA 131.992 4.117 . . . . 0.0 107.588 176.017 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.62 -22.49 2.04 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 120.439 -1.413 . . . . 0.0 114.194 169.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.95 -4.68 13.87 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.28 1.032 . . . . 0.0 113.756 173.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.5 m -137.07 -37.29 0.65 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.482 1.513 . . . . 0.0 112.278 173.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.22 -38.73 91.34 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.726 1.21 . . . . 0.0 111.088 176.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -74.51 3.3 7.85 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 179.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.412 ' HE3' HG23 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -132.65 19.96 4.26 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 125.557 1.543 . . . . 0.0 111.729 174.447 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.412 HG23 ' HE3' ' A' ' 28' ' ' LYS . 3.8 t -124.15 -48.94 2.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 124.94 1.296 . . . . 0.0 109.892 177.731 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.581 ' HB3' HD22 ' A' ' 5' ' ' LEU . 23.7 m-85 -62.5 -29.74 70.76 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 176.187 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -55.82 -32.55 63.67 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.192 0.997 . . . . 0.0 112.249 174.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -75.47 -51.69 12.43 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.239 0.616 . . . . 0.0 109.951 -179.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -61.62 -43.6 98.55 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.896 1.278 . . . . 0.0 112.529 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.74 -50.78 71.2 Favored 'General case' 0 N--CA 1.453 -0.281 0 O-C-N 121.267 -0.896 . . . . 0.0 111.249 178.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -70.88 -18.87 62.67 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-O 117.847 -1.073 . . . . 0.0 113.5 -179.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . 0.316 1.4 p30 -88.91 -17.79 28.84 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 120.146 1.339 . . . . 0.0 114.002 172.727 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 -81.79 -40.63 22.31 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 166.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.19 -3.56 7.28 Favored Glycine 0 CA--C 1.534 1.267 0 C-N-CA 128.698 3.047 . . . . 0.0 114.909 173.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.507 HG21 ' HB3' ' A' ' 7' ' ' LEU . 16.4 t -75.41 150.01 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 CA-C-N 118.898 1.349 . . . . 0.0 111.366 179.178 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -167.76 89.59 0.3 Allowed 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 113.522 -1.672 . . . . 0.0 108.772 167.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.652 ' H ' HG22 ' A' ' 54' ' ' VAL . . . -119.15 -149.64 8.57 Favored Glycine 0 CA--C 1.534 1.275 0 N-CA-C 116.992 1.557 . . . . 0.0 116.992 -178.346 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -67.24 88.99 0.19 Allowed 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.613 1.165 . . . . 0.0 111.719 174.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 82.1 m95 -61.54 116.51 4.78 Favored 'General case' 0 C--O 1.234 0.274 0 O-C-N 120.822 -1.174 . . . . 0.0 110.381 179.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.11 163.83 24.63 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 126.862 2.065 . . . . 0.0 110.811 -171.2 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -154.72 165.2 37.31 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.344 1.058 . . . . 0.0 111.975 -178.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -143.14 151.47 40.73 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.913 2.085 . . . . 0.0 109.647 -176.033 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.47 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -123.7 5.52 8.83 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 114.994 1.479 . . . . 0.0 114.994 -177.296 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -93.49 -29.53 15.49 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.718 1.207 . . . . 0.0 110.639 169.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.73 -7.22 4.56 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.021 0.928 . . . . 0.0 113.274 -176.054 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.47 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 1.8 mmpt? 61.01 44.49 10.32 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 126.191 1.797 . . . . 0.0 112.753 179.254 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 89.2 m -117.83 108.08 14.91 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.781 0.833 . . . . 0.0 111.547 -172.273 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -63.4 159.93 17.21 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 122.025 0.917 . . . . 0.0 110.712 168.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.5 m -146.06 158.97 43.88 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 124.989 1.316 . . . . 0.0 107.942 170.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.652 HG22 ' H ' ' A' ' 41' ' ' GLY . 14.0 p -152.29 89.49 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 122.399 1.095 . . . . 0.0 111.129 177.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.481 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 18.3 m -86.18 96.18 9.83 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 122.294 1.045 . . . . 0.0 112.236 -178.078 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -72.31 -11.98 60.94 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.85 0.86 . . . . 0.0 112.335 170.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.96 16.59 0.11 Allowed Glycine 0 CA--C 1.543 1.787 0 C-N-CA 126.731 2.11 . . . . 0.0 116.917 170.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.8 m -163.27 -27.13 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.871 1.668 . . . . 0.0 114.118 173.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 54.9 m80 -140.17 175.16 9.82 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.112 1.152 . . . . 0.0 114.112 -169.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -149.76 150.33 31.88 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 127.892 2.477 . . . . 0.0 108.541 177.082 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 -141.87 -26.24 0.67 Allowed 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 117.15 2.278 . . . . 0.0 117.15 -169.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 42.7 m80 -136.26 159.55 41.41 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.889 1.222 . . . . 0.0 112.722 -173.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 22.9 p80 -121.07 25.13 9.79 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 126.159 1.784 . . . . 0.0 111.345 171.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -61.49 -26.39 67.88 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 126.704 2.001 . . . . 0.0 114.014 -170.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 2.6 mpt? -138.56 162.24 35.06 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.928 1.691 . . . . 0.0 110.586 175.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 27.5 p80 -71.68 28.22 0.05 OUTLIER 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 126.28 1.832 . . . . 0.0 115.217 -178.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.94 35.41 0.37 Allowed 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 125.806 1.642 . . . . 0.0 113.409 177.261 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -110.48 178.85 4.25 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 128.068 2.547 . . . . 0.0 112.616 -175.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 78.0 p 41.45 -96.0 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 128.108 2.563 . . . . 0.0 116.018 172.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 42.6 t -152.28 136.47 10.19 Favored Pre-proline 0 CA--C 1.546 0.805 0 C-N-CA 125.624 1.57 . . . . 0.0 111.096 -174.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_exo -56.0 158.37 14.57 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 C-N-CA 123.196 2.597 . . . . 0.0 112.376 168.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 95.4 mt -130.04 160.25 34.27 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.452 1.101 . . . . 0.0 111.122 177.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 37.9 p-10 -128.24 -27.88 2.65 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 116.476 2.028 . . . . 0.0 116.476 -167.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.5 t -72.45 -4.99 33.62 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 114.548 1.314 . . . . 0.0 114.548 -176.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -88.44 124.19 33.72 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 126.407 1.883 . . . . 0.0 108.206 -176.155 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 82.7 t -122.4 137.62 55.3 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 C-N-CA 125.061 1.344 . . . . 0.0 112.298 -167.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -91.16 150.12 21.51 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 124.763 1.225 . . . . 0.0 109.25 168.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.656 HG13 ' HB3' ' A' ' 113' ' ' ALA . 0.2 OUTLIER -146.37 133.51 14.6 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.261 0 CA-C-O 121.331 0.586 . . . . 0.0 110.551 169.069 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -166.27 -170.05 30.68 Favored Glycine 0 N--CA 1.467 0.736 0 N-CA-C 116.061 1.184 . . . . 0.0 116.061 178.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 41.01 45.71 2.3 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.977 1.711 . . . . 0.0 112.208 -170.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 39.3 tp -122.67 -38.42 2.65 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.617 1.567 . . . . 0.0 112.83 -169.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 89.96 25.62 26.48 Favored Glycine 0 CA--C 1.535 1.331 0 N-CA-C 114.319 0.488 . . . . 0.0 114.319 -176.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -63.29 -16.61 60.85 Favored 'General case' 0 CA--C 1.551 1.009 0 CA-C-N 118.518 1.159 . . . . 0.0 113.931 176.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 44.98 41.01 4.93 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 127.909 2.484 . . . . 0.0 114.291 176.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 53.27 35.87 51.23 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 125.995 1.759 . . . . 0.0 115.582 177.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -116.29 -1.24 12.39 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.865 1.266 . . . . 0.0 112.344 -179.109 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.5 pttp 46.63 -25.47 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.376 1 C-N-CA 132.927 4.491 . . . . 0.0 120.881 177.134 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 95.8 m -47.5 -49.1 26.76 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 126.894 2.078 . . . . 0.0 114.619 -168.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -77.44 -44.84 27.66 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 119.006 0.821 . . . . 0.0 111.553 -178.14 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.434 HD12 ' N ' ' A' ' 91' ' ' GLU . 3.3 pp -62.52 -35.66 80.12 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 119.626 1.103 . . . . 0.0 111.71 177.7 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.434 ' N ' HD12 ' A' ' 90' ' ' LEU . 37.6 tt0 -64.37 -47.65 78.49 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.563 1.545 . . . . 0.0 112.027 178.581 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.8 ppt_? -66.59 -38.52 87.2 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 118.938 0.79 . . . . 0.0 111.485 171.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.36 -40.95 98.08 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 123.904 0.882 . . . . 0.0 111.702 -177.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.436 ' CE2' HG11 ' A' ' 115' ' ' VAL . 13.4 m-85 -69.42 -64.92 0.78 Allowed 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 124.076 0.95 . . . . 0.0 111.803 172.23 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -57.85 -18.62 33.33 Favored Glycine 0 CA--C 1.548 2.106 0 N-CA-C 115.706 1.043 . . . . 0.0 115.706 -175.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -53.41 -49.94 66.22 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.525 1.93 . . . . 0.0 112.879 168.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -70.69 -44.43 67.0 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.643 0.777 . . . . 0.0 111.079 178.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -168.78 160.19 33.57 Favored Glycine 0 N--CA 1.478 1.44 0 CA-C-O 118.472 -1.182 . . . . 0.0 113.266 174.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -67.06 138.63 48.23 Favored 'Trans proline' 0 CA--C 1.534 0.493 0 CA-C-N 121.417 2.609 . . . . 0.0 113.577 -169.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.497 HD13 ' CG2' ' A' ' 103' ' ' VAL . 14.7 mt -77.91 154.74 31.39 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.631 1.572 . . . . 0.0 112.181 177.658 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 26.2 ttp180 -110.02 -27.64 9.1 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 126.576 1.95 . . . . 0.0 111.975 170.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 13.8 m -157.6 151.43 24.2 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.227 1.411 . . . . 0.0 111.997 169.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.497 ' CG2' HD13 ' A' ' 100' ' ' LEU . 72.2 t -137.5 131.21 43.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 125.34 1.456 . . . . 0.0 109.046 170.378 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 65.2 t90 -137.32 144.01 42.38 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 127.326 2.251 . . . . 0.0 108.749 -178.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 35.8 m -142.95 30.05 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.352 0 CA-C-O 123.503 1.621 . . . . 0.0 112.848 -169.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.428 ' HB1' ' C2 ' ' B' ' 153' ' ' ' U' . . . 58.74 162.81 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 130.549 3.54 . . . . 0.0 117.589 -171.457 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 59.8 ttp85 -77.08 -22.43 52.82 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.906 1.283 . . . . 0.0 113.259 -175.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -129.07 129.61 23.39 Favored Pre-proline 0 CA--C 1.544 0.714 0 C-N-CA 126.369 1.868 . . . . 0.0 106.505 169.118 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -61.07 109.63 0.73 Allowed 'Trans proline' 0 CA--C 1.542 0.899 0 C-N-CA 124.752 3.634 . . . . 0.0 113.642 -168.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_endo -106.62 -9.36 0.09 OUTLIER 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 122.643 2.228 . . . . 0.0 114.19 -171.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 88.68 -18.1 45.31 Favored Glycine 0 CA--C 1.538 1.491 0 C-N-CA 125.126 1.346 . . . . 0.0 113.126 -169.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . 0.277 0.0 OUTLIER -96.49 -179.88 4.77 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 127.439 2.295 . . . . 0.0 113.255 170.352 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.656 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -174.6 173.07 2.94 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 127.713 2.405 . . . . 0.0 110.652 -170.274 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -145.16 141.36 28.67 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.026 0.93 . . . . 0.0 110.106 170.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.436 HG11 ' CE2' ' A' ' 94' ' ' PHE . 9.7 m -135.57 172.34 15.91 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 O-C-N 120.667 -1.27 . . . . 0.0 112.658 -177.248 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -147.67 137.97 23.04 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 124.727 1.211 . . . . 0.0 109.208 169.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.491 ' HB2' ' HB2' ' A' ' 123' ' ' ALA . 45.9 m-85 -96.75 168.83 10.27 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.18 0.992 . . . . 0.0 112.444 178.411 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -70.52 -27.74 64.41 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 172.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -144.78 126.67 8.0 Favored Pre-proline 0 CA--C 1.548 0.89 0 C-N-CA 124.569 1.148 . . . . 0.0 111.243 -172.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.457 ' HA ' ' HB3' ' A' ' 123' ' ' ALA . 62.7 Cg_endo -68.67 -20.14 40.82 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 123.582 2.855 . . . . 0.0 114.144 -174.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 21.1 ttp-105 -59.63 -49.11 79.01 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 120.211 1.369 . . . . 0.0 109.411 169.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -76.29 -33.99 59.09 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.949 -176.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.491 ' HB2' ' HB2' ' A' ' 117' ' ' PHE . . . -59.03 -43.59 91.65 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.301 0.641 . . . . 0.0 111.552 169.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -68.8 -41.86 78.13 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.636 0.775 . . . . 0.0 111.914 178.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -61.59 -41.0 96.77 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 118.515 0.598 . . . . 0.0 111.579 174.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.76 -55.75 20.82 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.343 1.057 . . . . 0.0 110.984 174.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 24.3 t -51.13 -47.54 31.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 125.271 1.429 . . . . 0.0 111.66 176.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 32.4 ttp-105 -57.62 -44.09 85.25 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.089 0.956 . . . . 0.0 111.839 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -95.73 -13.52 24.11 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 114.828 1.418 . . . . 0.0 114.828 -172.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 32.6 mt -87.01 -39.61 15.5 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.292 1.437 . . . . 0.0 113.331 175.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -63.0 149.08 45.82 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 114.621 1.341 . . . . 0.0 114.621 -169.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 61.19 -14.75 0.05 OUTLIER Glycine 0 CA--C 1.541 1.712 0 N-CA-C 120.292 2.877 . . . . 0.0 120.292 168.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 69.8 mtt85 -81.14 -65.56 1.0 Allowed 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 119.059 1.43 . . . . 0.0 113.425 -168.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 6.1 m 149.47 143.32 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.324 1 C-N-CA 131.97 4.108 . . . . 0.0 106.934 -169.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 42.3 tp -146.63 -59.59 0.29 Allowed 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.286 0.635 . . . . 0.0 111.098 175.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 15.8 t -91.62 -46.56 7.87 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.405 0.682 . . . . 0.0 110.648 171.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 155.47 51.16 0.01 OUTLIER Glycine 0 CA--C 1.533 1.195 0 N-CA-C 114.963 0.745 . . . . 0.0 114.963 170.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 5.8 t -149.27 -153.74 0.51 Allowed 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 124.503 1.121 . . . . 0.0 111.654 -172.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -110.77 61.96 0.61 Allowed 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 127.081 2.152 . . . . 0.0 110.396 -174.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 48.9 t -43.29 136.43 0.91 Allowed 'Isoleucine or valine' 0 CA--C 1.519 -0.244 0 C-N-CA 128.967 2.907 . . . . 0.0 113.932 -167.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.51 124.27 41.91 Favored 'General case' 0 CA--C 1.512 -0.505 0 C-N-CA 126.403 1.881 . . . . 0.0 106.46 169.478 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 78.5 t -141.22 115.33 5.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 105.5 -2.037 . . . . 0.0 105.5 170.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -141.69 -178.5 5.68 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 118.956 0.798 . . . . 0.0 112.871 -167.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 13.7 tp -80.61 128.73 33.95 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 120.753 -1.217 . . . . 0.0 108.272 168.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 59.9 p -72.12 86.18 1.05 Allowed 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 -171.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -72.45 68.53 0.79 Allowed 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 127.105 2.162 . . . . 0.0 111.995 177.068 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -152.94 -30.83 0.03 OUTLIER Glycine 0 CA--C 1.536 1.402 0 N-CA-C 116.34 1.296 . . . . 0.0 116.34 177.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -163.99 178.0 8.06 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 119.668 1.734 . . . . 0.0 112.489 176.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 14.6 pttm -141.02 151.25 43.94 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.969 1.308 . . . . 0.0 112.91 169.13 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? . . . . . 0 C--O 1.252 1.228 0 C-N-CA 126.86 2.064 . . . . 0.0 111.699 177.826 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 151' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.007 0 C2'-C3'-O3' 121.098 3.607 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 152' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.674 2 P-O3'-C3' 127.108 6.173 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 153' ' ' ' U' . . . . . 0.428 ' C2 ' ' HB1' ' A' ' 106' ' ' ALA . . . . . . . . 0 C5'--C4' 1.539 2.257 4 N19-C1'-C2' 122.23 5.519 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 020 nuclear nobuild full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.709 4 O4'-C1'-N19 114.557 6.357 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.484 1.248 0 CA-C-O 120.478 0.18 . . . . 0.0 110.528 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -84.3 145.25 28.37 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 120.804 -1.185 . . . . 0.0 112.565 -177.053 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.413 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 86.5 m-85 -127.75 158.32 37.98 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 127.553 2.341 . . . . 0.0 108.885 176.86 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -109.51 161.88 14.91 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.945 1.298 . . . . 0.0 111.568 -179.039 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.623 HD22 ' HB3' ' A' ' 30' ' ' PHE . 17.5 tp -143.15 140.84 30.98 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 126.676 1.99 . . . . 0.0 110.547 173.495 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mp -114.9 129.8 70.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 126.644 1.978 . . . . 0.0 107.853 169.454 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.565 HD21 HD21 ' A' ' 5' ' ' LEU . 78.0 mt -106.93 69.39 0.76 Allowed 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 127.951 2.5 . . . . 0.0 110.721 173.262 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -59.57 113.4 2.2 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 120.678 -1.264 . . . . 0.0 111.139 169.329 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -158.77 169.05 35.06 Favored Glycine 0 CA--C 1.532 1.144 0 N-CA-C 116.753 1.461 . . . . 0.0 116.753 179.674 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . 0.252 0.0 OUTLIER -43.57 -51.76 6.67 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 118.406 2.743 . . . . 0.0 118.406 -168.441 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.4 m -143.78 24.46 1.69 Allowed 'General case' 0 N--CA 1.481 1.087 0 CA-C-O 121.369 0.605 . . . . 0.0 112.488 -169.47 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.635 HD11 HG23 ' A' ' 39' ' ' VAL . 1.1 pp -150.36 -2.64 0.37 Allowed 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 116.456 2.021 . . . . 0.0 116.456 -169.088 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -30.53 132.55 0.08 Allowed 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 115.716 1.747 . . . . 0.0 115.716 -166.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -161.46 -171.0 26.91 Favored Glycine 0 C--O 1.223 -0.539 0 N-CA-C 118.537 2.175 . . . . 0.0 118.537 172.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -152.2 156.85 40.56 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.23 1.412 . . . . 0.0 111.812 178.01 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.1 t -158.45 -176.15 5.73 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 126.123 1.769 . . . . 0.0 110.074 -175.544 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 65.3 p -142.51 169.97 16.59 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.506 1.523 . . . . 0.0 111.095 176.738 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.614 HG21 ' CG1' ' A' ' 29' ' ' VAL . 4.9 t -155.65 149.56 25.39 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.328 1.051 . . . . 0.0 111.06 176.589 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -77.5 119.92 21.76 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 107.394 -1.335 . . . . 0.0 107.394 167.78 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.01 175.89 9.17 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.001 1.32 . . . . 0.0 113.43 177.358 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 68.0 t -81.4 -46.61 20.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 O-C-N 121.291 -0.881 . . . . 0.0 110.584 169.566 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.413 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 4.6 t70 178.32 -156.95 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 130.846 3.658 . . . . 0.0 106.098 177.22 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.03 -20.72 1.49 Allowed 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 120.92 1.691 . . . . 0.0 114.36 170.504 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.93 -9.71 23.34 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.452 1.101 . . . . 0.0 113.808 172.17 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 54.5 m -140.76 -31.85 0.59 Allowed 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.739 1.616 . . . . 0.0 112.518 178.86 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.416 ' HA ' HG12 ' A' ' 29' ' ' VAL . . . -68.57 -36.65 79.05 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.58 1.152 . . . . 0.0 110.62 173.25 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -78.99 6.57 9.01 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 114.832 1.419 . . . . 0.0 114.832 179.625 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.64 19.12 3.89 Favored 'General case' 0 N--CA 1.463 0.204 0 O-C-N 120.573 -1.33 . . . . 0.0 111.408 172.893 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.614 ' CG1' HG21 ' A' ' 18' ' ' THR . 3.6 p -125.73 -42.13 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 124.021 0.929 . . . . 0.0 112.263 178.248 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.623 ' HB3' HD22 ' A' ' 5' ' ' LEU . 23.2 m-85 -64.77 -26.22 68.26 Favored 'General case' 0 C--O 1.224 -0.273 0 O-C-N 121.706 -0.621 . . . . 0.0 112.246 170.261 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.406 ' HD3' ' CZ2' ' A' ' 43' ' ' TRP . 33.8 mmtp -56.67 -28.38 60.64 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.883 1.273 . . . . 0.0 112.855 173.935 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -79.85 -52.22 8.17 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 118.706 0.685 . . . . 0.0 110.79 176.645 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -62.48 -41.0 98.49 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.215 1.006 . . . . 0.0 112.222 -179.337 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.49 -49.51 77.26 Favored 'General case' 0 N--CA 1.453 -0.286 0 O-C-N 121.317 -0.864 . . . . 0.0 111.426 -179.355 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 59.0 m-80 -69.91 -19.98 63.38 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 178.708 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -79.54 -30.91 41.95 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 173.639 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 57.5 m-80 -80.83 -32.28 35.24 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 118.4 0.545 . . . . 0.0 109.549 168.688 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.36 12.93 9.3 Favored Glycine 0 CA--C 1.53 1.003 0 C-N-CA 128.125 2.774 . . . . 0.0 116.2 169.193 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.635 HG23 HD11 ' A' ' 12' ' ' LEU . 51.9 t -92.6 150.82 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.881 1.273 . . . . 0.0 112.105 172.721 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -165.22 51.35 0.1 Allowed 'General case' 0 CA--C 1.548 0.886 0 CA-C-O 123.03 1.395 . . . . 0.0 110.276 168.414 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -75.85 -149.25 2.47 Favored Glycine 0 CA--C 1.544 1.883 0 C-N-CA 125.304 1.431 . . . . 0.0 115.767 178.874 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -69.22 92.9 0.58 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.275 1.43 . . . . 0.0 112.438 179.827 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.406 ' CZ2' ' HD3' ' A' ' 31' ' ' LYS . 96.0 m95 -65.41 113.1 3.87 Favored 'General case' 0 C--O 1.235 0.339 0 O-C-N 120.677 -1.264 . . . . 0.0 109.975 179.526 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 24.6 m -133.07 161.53 34.13 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 127.898 2.479 . . . . 0.0 108.502 -169.215 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -155.07 167.71 29.46 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.855 1.262 . . . . 0.0 111.116 -169.659 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -141.37 150.43 42.4 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.23 1.412 . . . . 0.0 110.368 176.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.474 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -115.49 5.09 14.38 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 -176.61 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -102.46 -29.78 11.4 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.782 1.633 . . . . 0.0 111.71 171.234 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.0 t -125.45 2.04 7.67 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.329 1.052 . . . . 0.0 113.469 178.053 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.474 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 3.2 mmpt? 51.29 42.61 29.17 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.032 1.333 . . . . 0.0 113.191 168.821 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.8 m -120.62 111.74 18.02 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 125.907 1.683 . . . . 0.0 109.0 -171.355 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -65.04 156.63 30.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 122.1 0.952 . . . . 0.0 109.836 169.173 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.5 m -146.73 137.1 23.71 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 106.737 -1.579 . . . . 0.0 106.737 169.745 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.412 ' CG1' HD23 ' A' ' 7' ' ' LEU . 8.6 p -131.04 125.74 58.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 175.681 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 89.9 m -132.55 119.72 20.9 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.203 0.601 . . . . 0.0 110.475 -169.848 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -69.43 66.55 0.19 Allowed 'General case' 0 CA--C 1.552 1.056 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 -179.496 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 91.83 59.16 1.35 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 120.797 -1.189 . . . . 0.0 113.563 170.629 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.3 p 60.07 -11.8 0.04 OUTLIER 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 128.957 2.903 . . . . 0.0 117.442 -177.147 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . 0.27 3.0 p-80 -74.47 79.94 1.93 Allowed 'General case' 0 CA--C 1.548 0.868 0 CA-C-O 122.465 1.126 . . . . 0.0 111.785 179.068 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 71.9 m80 -67.89 64.57 0.09 Allowed 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 127.016 2.126 . . . . 0.0 112.031 178.214 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 15.9 t-160 -66.54 16.58 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 129.43 3.092 . . . . 0.0 115.514 -171.151 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -63.43 163.45 10.8 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.449 1.1 . . . . 0.0 113.709 -174.848 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -136.24 73.93 1.48 Allowed 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 125.81 1.644 . . . . 0.0 108.926 178.557 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -161.55 20.1 0.11 Allowed 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.653 1.181 . . . . 0.0 113.968 170.457 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -61.89 91.7 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 126.517 1.927 . . . . 0.0 110.853 -175.541 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 37.3 t-80 51.87 46.61 26.3 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 124.334 1.053 . . . . 0.0 110.397 -167.835 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.68 34.89 22.58 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 126.143 1.777 . . . . 0.0 113.469 -170.133 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 50.18 33.55 7.33 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 127.571 2.348 . . . . 0.0 113.829 -175.889 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.2 m -75.61 57.83 1.01 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.036 1.734 . . . . 0.0 114.622 -171.067 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 26.1 p -131.53 56.88 26.86 Favored Pre-proline 0 CA--C 1.557 1.221 0 C-N-CA 125.472 1.509 . . . . 0.0 112.931 176.912 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -74.94 175.48 11.17 Favored 'Trans proline' 0 CA--C 1.542 0.909 0 C-N-CA 124.017 3.144 . . . . 0.0 113.291 -176.11 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 91.1 mt -58.01 -22.23 48.71 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 175.663 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -58.1 -22.85 52.5 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.602 1.161 . . . . 0.0 113.523 174.164 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 88.0 m -67.16 -33.21 74.92 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.619 1.168 . . . . 0.0 113.039 171.822 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -84.37 150.05 25.62 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.887 1.275 . . . . 0.0 112.139 -178.005 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.3 t -139.53 137.75 40.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 125.953 1.701 . . . . 0.0 111.539 -170.082 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -88.85 146.54 24.9 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 125.65 1.58 . . . . 0.0 108.006 167.666 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -149.15 154.57 9.4 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.441 0 CA-C-O 122.316 1.055 . . . . 0.0 111.333 171.031 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -137.89 142.02 12.8 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 108.367 -1.893 . . . . 0.0 108.367 168.095 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -153.19 135.88 15.27 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 118.202 1.001 . . . . 0.0 113.375 -168.174 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 35.5 tp 64.55 -42.44 0.29 Allowed 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 129.221 3.008 . . . . 0.0 115.498 177.341 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 146.59 -146.77 17.08 Favored Glycine 0 CA--C 1.529 0.941 0 C-N-CA 124.959 1.266 . . . . 0.0 111.768 -174.56 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -61.85 56.29 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 127.695 2.398 . . . . 0.0 114.386 170.312 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -149.51 176.15 10.86 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.36 1.864 . . . . 0.0 111.48 -178.536 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -171.05 110.65 0.37 Allowed Glycine 0 CA--C 1.529 0.936 0 C-N-CA 123.548 0.594 . . . . 0.0 112.664 -179.727 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -146.73 130.87 17.36 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.503 1.121 . . . . 0.0 110.255 170.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.08 -26.93 68.44 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 115.767 1.766 . . . . 0.0 115.767 -178.239 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 32.8 m -51.54 -64.19 0.89 Allowed 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 115.584 1.698 . . . . 0.0 115.584 -168.133 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -75.06 -41.42 59.05 Favored 'General case' 0 CA--C 1.53 0.183 0 O-C-N 121.041 -1.037 . . . . 0.0 110.857 -174.682 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.9 pp -58.79 -35.93 73.62 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 119.551 1.069 . . . . 0.0 111.806 176.033 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -60.93 -48.13 83.23 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 119.578 1.081 . . . . 0.0 112.335 174.57 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.94 -40.1 91.05 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 119.564 1.075 . . . . 0.0 111.992 174.36 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.8 -39.21 93.71 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 124.427 1.091 . . . . 0.0 112.018 -178.01 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.476 ' CD2' HG21 ' A' ' 115' ' ' VAL . 10.7 m-85 -72.07 -63.15 1.2 Allowed 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 125.346 1.458 . . . . 0.0 111.968 173.301 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -62.09 -13.8 43.48 Favored Glycine 0 CA--C 1.544 1.856 0 N-CA-C 115.557 0.983 . . . . 0.0 115.557 -176.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -55.07 -47.1 75.31 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.629 1.571 . . . . 0.0 111.695 167.392 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -67.39 -45.33 76.52 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.773 0.829 . . . . 0.0 110.116 172.776 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 174.46 165.02 30.31 Favored Glycine 0 N--CA 1.476 1.301 0 N-CA-C 115.363 0.905 . . . . 0.0 115.363 169.082 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -57.65 138.74 87.59 Favored 'Trans proline' 0 CA--C 1.536 0.591 0 C-N-CA 122.744 2.296 . . . . 0.0 114.688 -168.277 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.419 ' HA ' ' HA ' ' A' ' 117' ' ' PHE . 0.2 OUTLIER -118.04 142.47 47.36 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.019 1.328 . . . . 0.0 112.101 173.514 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 15.3 ttm-85 -75.17 -33.9 61.52 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.802 1.641 . . . . 0.0 111.128 179.754 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 14.3 m -151.4 153.18 34.21 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 113.502 0.926 . . . . 0.0 113.502 178.822 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 2.4 m -130.13 137.96 55.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 C-N-CA 128.558 2.743 . . . . 0.0 106.85 169.869 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.45 ' CH2' ' HA ' ' A' ' 106' ' ' ALA . 73.9 t90 -141.79 147.92 38.07 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 124.933 1.293 . . . . 0.0 110.798 -175.559 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 24.3 m -143.26 154.49 16.73 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 C-N-CA 125.607 1.563 . . . . 0.0 109.271 174.414 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.45 ' HA ' ' CH2' ' A' ' 104' ' ' TRP . . . -75.62 106.38 7.15 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -170.308 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 5.9 mmm180 -68.44 -18.99 64.55 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 125.137 1.375 . . . . 0.0 113.93 170.925 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -72.51 -157.68 0.0 OUTLIER Pre-proline 0 CA--C 1.57 1.713 0 C-N-CA 126.659 1.984 . . . . 0.0 107.714 168.102 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -49.41 123.61 10.58 Favored 'Trans proline' 0 CA--C 1.55 1.299 0 CA-C-N 123.606 2.324 . . . . 0.0 112.086 169.235 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -80.27 159.9 23.13 Favored 'Trans proline' 0 CA--C 1.541 0.831 0 C-N-CA 122.974 2.45 . . . . 0.0 112.197 -176.266 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 160.31 -31.53 0.39 Allowed Glycine 0 CA--C 1.535 1.308 0 C-N-CA 123.784 0.707 . . . . 0.0 114.325 -178.543 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.406 ' CZ ' ' C5 ' ' B' ' 153' ' ' ' U' 0.262 1.8 p90 -141.69 -176.6 4.82 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.698 1.599 . . . . 0.0 111.742 178.041 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -157.0 172.02 19.43 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 127.796 2.439 . . . . 0.0 112.575 -167.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -145.46 168.43 20.57 Favored 'General case' 0 N--CA 1.484 1.244 0 O-C-N 121.34 -0.85 . . . . 0.0 112.651 172.919 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.476 HG21 ' CD2' ' A' ' 94' ' ' PHE . 1.4 t -153.12 162.26 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 126.112 1.765 . . . . 0.0 111.824 -174.898 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -137.58 107.65 6.37 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.257 1.023 . . . . 0.0 109.666 165.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.419 ' HA ' ' HA ' ' A' ' 100' ' ' LEU . 44.8 m-85 -78.05 152.68 32.85 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.74 1.616 . . . . 0.0 111.452 169.563 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -73.98 -57.03 4.24 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.297 -0.877 . . . . 0.0 111.757 176.648 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -82.52 124.29 77.9 Favored Pre-proline 0 CA--C 1.545 0.78 0 O-C-N 121.462 -0.774 . . . . 0.0 109.431 173.445 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -61.33 -20.07 66.71 Favored 'Trans proline' 0 CA--C 1.539 0.73 0 C-N-CA 121.82 1.68 . . . . 0.0 112.976 172.932 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.54 -27.25 62.11 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 120.979 -1.076 . . . . 0.0 112.709 169.921 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -67.91 -43.79 78.44 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 120.009 1.277 . . . . 0.0 110.296 169.726 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.08 -40.29 93.14 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 122.957 0.503 . . . . 0.0 112.244 172.002 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.28 -48.76 76.77 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 118.735 0.698 . . . . 0.0 112.196 174.757 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -60.2 -39.6 87.12 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.433 1.015 . . . . 0.0 112.499 174.387 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.25 -59.22 5.65 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 123.848 0.859 . . . . 0.0 109.779 175.672 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 45.0 t -49.09 -45.43 16.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 CA-C-N 119.752 1.16 . . . . 0.0 112.287 173.768 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -63.39 -36.94 85.38 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 126.142 1.777 . . . . 0.0 112.772 -176.014 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -106.34 -19.43 13.7 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 -176.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 94.9 mt -97.38 -33.24 11.49 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.082 1.353 . . . . 0.0 113.931 -177.666 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -64.91 113.38 3.81 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 120.261 1.391 . . . . 0.0 112.599 -169.824 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 70.65 14.9 72.94 Favored Glycine 0 CA--C 1.54 1.622 0 N-CA-C 115.14 0.816 . . . . 0.0 115.14 -173.449 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.01 97.46 6.96 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 126.107 1.763 . . . . 0.0 110.005 178.953 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 19.0 m -9.47 110.01 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 130.463 3.505 . . . . 0.0 114.99 171.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.85 138.59 25.75 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 127.786 2.434 . . . . 0.0 105.836 -179.479 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 68.5 m 64.68 -41.0 0.27 Allowed 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 126.478 1.911 . . . . 0.0 111.55 -166.23 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 113.63 47.79 0.61 Allowed Glycine 0 CA--C 1.528 0.894 0 N-CA-C 119.126 2.41 . . . . 0.0 119.126 165.763 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 4.7 t -151.83 -39.27 0.11 Allowed 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 118.634 1.217 . . . . 0.0 112.994 169.073 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.96 156.9 1.82 Allowed 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 128.029 2.532 . . . . 0.0 110.618 169.12 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 32.9 m -141.73 162.47 20.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 169.851 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.431 HH11 ' HG2' ' A' ' 141' ' ' ARG . 0.0 OUTLIER -133.3 141.1 47.81 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 129.174 2.989 . . . . 0.0 106.747 169.042 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 60.2 t -149.4 124.65 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 CA-C-N 119.846 1.203 . . . . 0.0 108.653 169.551 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -140.84 167.53 21.96 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 120.356 1.434 . . . . 0.0 111.101 178.938 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 71.1 mt -74.6 147.73 41.4 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 120.067 -1.645 . . . . 0.0 108.367 168.331 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 87.9 p -68.06 118.35 11.11 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 119.321 0.964 . . . . 0.0 111.796 -178.892 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -128.49 0.29 5.6 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.972 1.709 . . . . 0.0 113.211 -173.276 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -132.95 151.36 20.0 Favored Glycine 0 CA--C 1.533 1.21 0 C-N-CA 124.112 0.863 . . . . 0.0 113.896 -177.02 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -171.83 161.96 6.0 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 128.82 2.848 . . . . 0.0 108.117 173.668 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -131.91 36.74 3.66 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 115.826 1.787 . . . . 0.0 115.826 -174.834 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 32.2 mmt-85 . . . . . 0 C--O 1.252 1.196 0 C-N-CA 126.122 1.769 . . . . 0.0 112.259 -171.715 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 151' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.104 0 C2'-C3'-O3' 121.054 3.591 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 152' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.122 3 O4'-C1'-N19 113.989 5.789 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 153' ' ' ' U' . . . . . 0.406 ' C5 ' ' CZ ' ' A' ' 112' ' ' PHE . . . . . . . . 0 O4'--C4' 1.422 -2.59 1 O4'-C1'-N19 115.536 7.336 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 021 nuclear nobuild full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.372 2 O4'-C1'-N19 115.128 6.928 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.9 tpt . . . . . 0 N--CA 1.483 1.22 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -94.15 138.1 32.58 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 120.809 -1.182 . . . . 0.0 111.468 178.335 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.423 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 86.9 m-85 -125.82 154.27 42.86 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 126.644 1.978 . . . . 0.0 108.762 -175.701 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -105.05 161.46 14.2 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.512 1.125 . . . . 0.0 111.375 -179.587 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.643 HD22 ' HB3' ' A' ' 30' ' ' PHE . 13.3 tp -142.98 139.47 30.64 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 126.145 1.778 . . . . 0.0 110.31 172.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mp -116.04 111.31 34.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 126.128 1.771 . . . . 0.0 108.444 171.756 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.482 HD21 HD21 ' A' ' 5' ' ' LEU . 71.3 mt -80.92 72.12 7.91 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.893 1.677 . . . . 0.0 110.597 169.707 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 57.3 m-20 -60.78 59.12 0.01 OUTLIER 'General case' 0 CA--C 1.561 1.393 0 C-N-CA 125.956 1.702 . . . . 0.0 114.348 169.571 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -88.77 175.64 43.78 Favored Glycine 0 CA--C 1.531 1.094 0 O-C-N 119.716 -1.865 . . . . 0.0 115.814 178.416 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.11 -57.69 11.77 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 115.662 1.727 . . . . 0.0 115.662 -173.306 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 35.4 p -129.64 3.6 5.02 Favored 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 114.925 1.454 . . . . 0.0 114.925 -168.806 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.513 HD23 ' H ' ' A' ' 12' ' ' LEU . 2.6 pt? -134.33 -2.68 2.77 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.882 1.673 . . . . 0.0 115.441 -169.163 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.522 ' HE2' ' H ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -40.13 145.72 0.15 Allowed 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 117.261 2.319 . . . . 0.0 117.261 -168.539 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -175.3 -153.91 10.72 Favored Glycine 0 CA--C 1.529 0.948 0 N-CA-C 116.691 1.436 . . . . 0.0 116.691 169.966 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -152.51 159.36 43.32 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 119.12 1.46 . . . . 0.0 113.776 -173.15 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.7 t -158.85 -175.84 5.52 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.555 1.942 . . . . 0.0 110.675 -177.148 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.7 p -141.49 171.96 13.34 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.564 1.546 . . . . 0.0 110.987 173.748 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.63 HG21 HG11 ' A' ' 29' ' ' VAL . 4.4 t -156.68 155.02 31.02 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.592 1.157 . . . . 0.0 110.921 179.496 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -85.29 125.63 33.07 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 107.745 -1.205 . . . . 0.0 107.745 167.658 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.408 ' HB3' ' CD1' ' A' ' 3' ' ' TYR . . . -143.09 173.34 11.66 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.921 1.688 . . . . 0.0 112.735 179.429 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.3 p -87.25 -31.06 5.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 O-C-N 121.24 -0.912 . . . . 0.0 112.94 170.896 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.423 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 2.5 t70 168.12 -157.68 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.074 1 C-N-CA 132.488 4.315 . . . . 0.0 107.102 173.71 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.63 -22.66 2.13 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 120.593 1.542 . . . . 0.0 114.415 171.755 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.95 -8.43 22.54 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.181 0.992 . . . . 0.0 113.612 173.347 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.4 m -134.71 -36.17 0.86 Allowed 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 125.692 1.597 . . . . 0.0 112.436 173.411 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.452 ' HA ' HG12 ' A' ' 29' ' ' VAL . . . -64.67 -35.14 80.08 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.301 1.041 . . . . 0.0 110.692 176.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -78.14 5.49 10.02 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 176.608 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.68 20.23 3.31 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 120.335 -1.478 . . . . 0.0 111.755 174.795 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.63 HG11 HG21 ' A' ' 18' ' ' THR . 4.0 p -123.98 -42.23 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 C-N-CA 124.37 1.068 . . . . 0.0 111.905 177.126 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.643 ' HB3' HD22 ' A' ' 5' ' ' LEU . 24.6 m-85 -68.64 -25.15 64.69 Favored 'General case' 0 C--O 1.226 -0.166 0 C-N-CA 123.565 0.746 . . . . 0.0 112.875 173.421 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.403 ' HD3' ' CZ2' ' A' ' 43' ' ' TRP . 34.1 mmtp -54.82 -30.58 57.69 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.264 1.426 . . . . 0.0 112.997 175.132 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -81.7 -50.64 9.06 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.94 0.896 . . . . 0.0 110.67 179.408 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -60.1 -41.88 93.48 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.273 1.029 . . . . 0.0 112.101 177.327 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.21 -53.06 62.59 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.7 0.8 . . . . 0.0 111.015 178.861 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 -65.79 -23.25 66.66 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.012 0.925 . . . . 0.0 113.195 178.4 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -80.05 -29.99 39.32 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 118.9 0.773 . . . . 0.0 112.955 176.09 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 54.7 m-80 -76.59 -44.62 33.67 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 168.026 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 126.04 14.59 3.01 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 128.258 2.837 . . . . 0.0 115.5 171.864 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.447 HG21 ' HB3' ' A' ' 7' ' ' LEU . 93.7 t -87.95 151.34 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 125.595 1.558 . . . . 0.0 111.479 170.159 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -166.48 46.43 0.07 Allowed 'General case' 0 CA--C 1.548 0.897 0 CA-C-O 122.272 1.034 . . . . 0.0 111.121 168.109 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -72.14 -157.57 3.38 Favored Glycine 0 CA--C 1.54 1.644 0 C-N-CA 125.371 1.462 . . . . 0.0 115.835 -176.327 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.427 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 3.5 pt-20 -62.0 125.09 22.66 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 121.137 -1.214 . . . . 0.0 108.865 170.844 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.403 ' CZ2' ' HD3' ' A' ' 31' ' ' LYS . 89.0 m95 -91.55 133.0 35.9 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.473 1.033 . . . . 0.0 110.374 178.186 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -139.12 160.91 38.68 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 127.462 2.305 . . . . 0.0 109.532 -173.325 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -155.01 166.31 33.98 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.216 1.406 . . . . 0.0 110.69 -173.577 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -140.54 139.02 34.95 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.977 1.311 . . . . 0.0 110.445 175.451 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.496 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 31.6 t70 -93.54 -8.55 41.03 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 114.906 1.447 . . . . 0.0 114.906 -175.459 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -102.68 -28.72 11.95 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.172 1.389 . . . . 0.0 112.001 -178.548 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.6 t -117.03 -0.24 12.21 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.103 0.961 . . . . 0.0 113.129 175.65 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.496 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 3.6 mmpt? 51.08 42.47 28.64 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.565 1.546 . . . . 0.0 113.01 169.564 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 51.6 m -123.14 112.03 17.23 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 125.553 1.541 . . . . 0.0 109.259 -171.475 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -67.1 158.71 30.45 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 124.177 0.991 . . . . 0.0 110.487 169.492 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 22.9 m -149.52 130.24 14.12 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 171.742 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.427 ' HA ' ' O ' ' A' ' 42' ' ' GLU . 13.1 p -122.12 110.93 28.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 124.57 1.148 . . . . 0.0 109.984 177.402 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 99.1 m -111.75 118.9 36.87 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.76 0.824 . . . . 0.0 109.7 -169.94 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -69.45 70.16 0.27 Allowed 'General case' 0 N--CA 1.481 1.085 0 CA-C-O 123.217 1.484 . . . . 0.0 113.129 174.932 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -161.74 -150.67 6.02 Favored Glycine 0 CA--C 1.534 1.274 0 C-N-CA 129.769 3.556 . . . . 0.0 108.171 174.482 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.5 m -142.09 145.04 33.86 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.856 0.863 . . . . 0.0 110.264 175.691 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 36.4 m80 16.14 64.33 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 127.651 2.38 . . . . 0.0 115.101 -170.432 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 11.6 p-80 -62.12 21.22 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 116.702 2.112 . . . . 0.0 116.702 -174.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 11.0 p-80 -139.93 1.02 1.83 Allowed 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 130.54 3.536 . . . . 0.0 112.251 -177.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -151.99 -45.53 0.11 Allowed 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.578 1.551 . . . . 0.0 113.357 -178.066 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -64.06 135.15 56.16 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.142 1.377 . . . . 0.0 112.301 179.508 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 76.9 m80 -142.49 139.19 31.42 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.848 1.659 . . . . 0.0 109.98 176.423 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 57.7 ttm -65.67 129.25 39.1 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.697 0.799 . . . . 0.0 111.103 176.019 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 54.9 p-80 -151.74 -19.13 0.19 Allowed 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 115.723 1.749 . . . . 0.0 115.723 -179.686 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.06 4.35 0.73 Allowed 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 125.099 1.36 . . . . 0.0 114.104 175.541 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -79.02 -8.9 59.33 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 128.489 2.716 . . . . 0.0 114.931 -168.077 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 35.9 p -70.66 -28.83 65.09 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.634 1.174 . . . . 0.0 112.86 169.577 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 16.6 m -149.27 66.26 8.4 Favored Pre-proline 0 CA--C 1.552 1.037 0 C-N-CA 126.684 1.994 . . . . 0.0 111.0 -179.803 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -66.14 116.04 3.8 Favored 'Trans proline' 0 CA--C 1.54 0.787 0 C-N-CA 123.073 2.515 . . . . 0.0 110.647 178.611 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 41.7 tp -75.5 72.21 2.48 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.593 1.557 . . . . 0.0 112.644 -173.441 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 56.04 7.91 0.34 Allowed 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 127.493 2.317 . . . . 0.0 117.066 174.056 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 4.5 t -73.98 4.31 5.59 Favored 'General case' 0 CA--C 1.55 0.968 0 O-C-N 120.24 -1.538 . . . . 0.0 113.951 176.281 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 23.4 tttp -60.56 143.42 53.81 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 168.714 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 39.2 t -116.28 137.83 48.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 CA-C-O 121.946 0.879 . . . . 0.0 112.603 -167.482 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -95.88 150.43 20.44 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 127.447 2.299 . . . . 0.0 110.344 169.695 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.463 HG13 ' HB3' ' A' ' 113' ' ' ALA . 0.2 OUTLIER -147.96 140.35 18.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.346 0.593 . . . . 0.0 110.857 169.474 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -168.89 -159.74 15.27 Favored Glycine 0 N--CA 1.473 1.119 0 N-CA-C 116.655 1.422 . . . . 0.0 116.655 -179.172 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.1 t30 76.24 -19.85 0.39 Allowed 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 128.548 2.739 . . . . 0.0 115.584 173.55 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.402 ' HA ' ' HB3' ' A' ' 138' ' ' CYS . 7.0 tp -41.1 -44.47 2.49 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 127.379 2.272 . . . . 0.0 111.899 169.037 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 66.31 -3.33 3.46 Favored Glycine 0 CA--C 1.542 1.725 0 N-CA-C 117.944 1.938 . . . . 0.0 117.944 169.682 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -133.74 0.8 3.28 Favored 'General case' 0 CA--C 1.551 1.007 0 CA-C-N 119.547 1.673 . . . . 0.0 114.207 -170.499 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -158.53 149.59 20.58 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.634 1.173 . . . . 0.0 111.181 174.297 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -141.29 65.05 0.51 Allowed Glycine 0 N--CA 1.466 0.649 0 C-N-CA 126.229 1.871 . . . . 0.0 110.147 176.589 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 27.6 t30 -136.77 146.66 46.02 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.724 2.009 . . . . 0.0 108.112 170.382 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.94 -12.93 58.14 Favored 'General case' 0 C--O 1.222 -0.38 0 N-CA-C 116.436 2.013 . . . . 0.0 116.436 -169.294 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 60.0 m -51.32 -56.29 13.87 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 115.725 1.75 . . . . 0.0 115.725 -168.962 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -74.44 -44.36 52.12 Favored 'General case' 0 C--N 1.344 0.327 0 CA-C-N 119.832 1.196 . . . . 0.0 110.924 -178.628 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . 0.255 3.5 pp -59.87 -36.19 76.39 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 119.72 1.145 . . . . 0.0 112.073 179.206 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -60.0 -49.84 76.07 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 124.308 1.043 . . . . 0.0 112.589 172.746 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.2 ppt_? -63.83 -35.69 81.44 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 119.732 1.151 . . . . 0.0 112.216 173.506 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.93 -41.15 71.56 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 123.616 0.767 . . . . 0.0 111.997 -175.056 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.686 ' CD1' HD23 ' A' ' 130' ' ' LEU . 15.7 m-85 -67.86 -61.61 1.79 Allowed 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 123.812 0.845 . . . . 0.0 110.141 172.194 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.39 -18.11 42.14 Favored Glycine 0 CA--C 1.546 2.006 0 N-CA-C 115.695 1.038 . . . . 0.0 115.695 -176.934 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -55.2 -48.12 74.31 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 126.028 1.731 . . . . 0.0 112.165 167.882 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.421 ' HE2' HD22 ' A' ' 130' ' ' LEU . 93.3 m-85 -67.18 -43.38 82.31 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.71 0.804 . . . . 0.0 110.453 174.02 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 177.29 164.36 30.79 Favored Glycine 0 N--CA 1.476 1.331 0 CA-C-O 119.028 -0.873 . . . . 0.0 114.571 169.495 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -57.66 129.39 33.4 Favored 'Trans proline' 0 N--CA 1.46 -0.492 0 C-N-CA 122.667 2.245 . . . . 0.0 115.121 -168.312 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.655 HD11 ' HB2' ' A' ' 94' ' ' PHE . 19.2 mt -73.58 157.69 36.21 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 113.006 -1.906 . . . . 0.0 111.728 170.08 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -118.18 -30.62 5.24 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.015 1.326 . . . . 0.0 111.537 172.406 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 7.5 m -141.17 142.37 34.03 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.438 1.095 . . . . 0.0 110.693 171.557 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.57 ' CG2' HD13 ' A' ' 100' ' ' LEU . 15.4 t -140.94 124.5 16.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 124.86 1.264 . . . . 0.0 108.374 176.618 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 83.7 t90 -141.67 148.47 39.19 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 125.087 1.355 . . . . 0.0 111.419 -171.071 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 4.8 m -140.41 149.83 21.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 124.672 1.189 . . . . 0.0 109.145 171.024 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -77.6 150.07 34.72 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 -169.757 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 4.5 ppt_? -79.89 11.32 3.37 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 116.14 1.904 . . . . 0.0 116.14 -178.228 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -138.39 -62.44 0.02 OUTLIER Pre-proline 0 CA--C 1.546 0.793 0 CA-C-O 116.596 -1.669 . . . . 0.0 114.514 174.919 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -76.43 112.5 3.48 Favored 'Trans proline' 0 CA--C 1.545 1.055 0 C-N-CA 122.439 2.093 . . . . 0.0 111.579 -177.271 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -84.73 58.2 5.25 Favored 'Trans proline' 0 CA--C 1.542 0.922 0 C-N-CA 123.377 2.718 . . . . 0.0 111.233 -173.426 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -176.85 24.27 0.05 OUTLIER Glycine 0 N--CA 1.469 0.887 0 O-C-N 121.262 -0.899 . . . . 0.0 113.81 -177.394 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -152.31 138.96 18.75 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 126.375 1.87 . . . . 0.0 108.258 -169.399 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.463 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -161.11 171.67 18.13 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.875 1.27 . . . . 0.0 113.23 -168.187 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -145.28 149.0 34.07 Favored 'General case' 0 N--CA 1.48 1.029 0 O-C-N 121.946 -0.471 . . . . 0.0 111.634 171.852 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.5 HG11 ' CE2' ' A' ' 94' ' ' PHE . 14.6 m -138.65 170.3 16.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 CA-C-O 122.281 1.038 . . . . 0.0 112.555 178.057 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -149.37 117.59 6.41 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 124.856 1.262 . . . . 0.0 108.781 176.57 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.405 ' HA ' ' HA ' ' A' ' 100' ' ' LEU . 58.6 m-85 -80.66 156.17 26.46 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 121.711 0.767 . . . . 0.0 112.142 177.301 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -70.48 -18.31 62.97 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.45 0.7 . . . . 0.0 112.517 177.248 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -139.3 136.68 18.16 Favored Pre-proline 0 CA--C 1.553 1.06 0 C-N-CA 127.894 2.477 . . . . 0.0 110.339 178.782 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -71.81 -20.9 25.55 Favored 'Trans proline' 0 CA--C 1.537 0.641 0 C-N-CA 123.001 2.467 . . . . 0.0 114.448 -174.087 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.43 -29.6 53.01 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 120.917 -1.114 . . . . 0.0 111.218 174.282 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -62.53 -45.18 94.17 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 119.271 0.942 . . . . 0.0 109.908 168.904 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.66 -41.52 95.16 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 118.695 -0.669 . . . . 0.0 112.728 173.214 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.78 -43.25 84.46 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 119.813 1.188 . . . . 0.0 113.29 178.075 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -58.13 -41.43 83.64 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 121.359 -0.838 . . . . 0.0 110.922 173.094 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.82 -46.23 79.35 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.667 -0.645 . . . . 0.0 111.422 173.385 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.94 -15.66 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 O-C-N 120.526 -1.359 . . . . 0.0 114.191 -177.079 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -121.4 -5.15 9.35 Favored 'General case' 0 N--CA 1.485 1.302 0 N-CA-C 118.121 2.637 . . . . 0.0 118.121 170.594 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -114.54 -20.52 10.71 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-N 120.746 1.612 . . . . 0.0 114.484 170.718 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.686 HD23 ' CD1' ' A' ' 94' ' ' PHE . 7.5 tp -98.67 -21.21 16.55 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.629 1.572 . . . . 0.0 112.335 179.572 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -68.17 144.27 55.04 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.441 1.497 . . . . 0.0 112.498 169.94 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 72.91 -40.26 0.82 Allowed Glycine 0 CA--C 1.537 1.442 0 C-N-CA 126.538 2.018 . . . . 0.0 117.672 170.382 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -51.58 -51.19 57.47 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 125.77 1.628 . . . . 0.0 115.23 -168.753 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 6.9 m 140.91 143.67 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.281 1 C-N-CA 132.36 4.264 . . . . 0.0 107.35 -174.306 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 43.0 tp -161.8 133.62 5.56 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 -179.417 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 49.4 t 61.39 -48.47 0.13 Allowed 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.932 2.093 . . . . 0.0 112.131 -168.163 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 173.2 20.03 0.02 OUTLIER Glycine 0 C--N 1.345 1.047 0 N-CA-C 118.69 2.236 . . . . 0.0 118.69 168.426 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . 0.402 ' HB3' ' HA ' ' A' ' 81' ' ' LEU . 46.0 t -154.78 175.98 13.04 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 118.703 1.251 . . . . 0.0 108.499 -172.623 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -65.17 130.17 42.38 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 178.001 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 11.2 p -116.68 144.69 23.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 C-N-CA 125.069 1.347 . . . . 0.0 110.045 -169.639 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 17.4 mtp85 -109.75 136.99 48.2 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 106.548 -1.649 . . . . 0.0 106.548 168.964 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 71.2 t -143.63 118.49 4.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 170.842 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -142.86 158.97 43.1 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 119.799 1.181 . . . . 0.0 111.95 -172.381 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 41.3 mt -80.73 153.08 28.03 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 120.656 -1.278 . . . . 0.0 109.588 169.556 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 32.3 t -23.94 118.51 0.05 OUTLIER 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 126.934 2.093 . . . . 0.0 115.27 172.823 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -58.68 86.06 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 126.577 1.951 . . . . 0.0 114.036 -175.867 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -156.37 -166.68 16.55 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 126.192 1.854 . . . . 0.0 112.696 -178.97 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -140.86 150.95 43.9 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.193 1.397 . . . . 0.0 111.704 -177.786 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 5.3 ttpp -153.38 153.03 31.76 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.03 0.932 . . . . 0.0 111.709 167.493 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 24.0 mmt85 . . . . . 0 C--O 1.249 1.044 0 C-N-CA 127.269 2.228 . . . . 0.0 109.135 170.878 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 151' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.556 3.508 1 C3'-C2'-C1' 105.868 4.854 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 152' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.074 2 C4'-C3'-C2' 97.521 -5.179 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.56 2 C3'-C2'-C1' 106.844 5.938 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.98 2 O4'-C1'-N19 113.803 5.603 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 mpp? . . . . . 0 N--CA 1.482 1.175 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -87.34 142.49 27.84 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 120.971 -1.08 . . . . 0.0 111.66 176.279 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.436 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 91.6 m-85 -127.14 154.78 44.33 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 127.595 2.358 . . . . 0.0 108.909 -178.446 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -110.3 162.73 14.34 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.646 1.178 . . . . 0.0 111.76 -177.659 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.59 HD21 HD21 ' A' ' 7' ' ' LEU . 13.5 tp -145.33 139.41 27.02 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 126.805 2.042 . . . . 0.0 110.915 174.337 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mp -118.49 109.01 25.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 126.496 1.918 . . . . 0.0 109.152 173.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.59 HD21 HD21 ' A' ' 5' ' ' LEU . 55.4 mt -81.32 72.05 8.34 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.48 1.912 . . . . 0.0 111.017 170.58 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 -64.32 66.3 0.02 OUTLIER 'General case' 0 CA--C 1.56 1.358 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 173.215 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.7 153.02 16.94 Favored Glycine 0 CA--C 1.534 1.274 0 O-C-N 120.407 -1.433 . . . . 0.0 115.824 -177.926 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -12.99 -78.52 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 130.288 3.435 . . . . 0.0 117.779 -169.394 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.7 p -125.74 -3.61 7.15 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.634 1.573 . . . . 0.0 112.191 -178.678 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.506 ' H ' HD23 ' A' ' 12' ' ' LEU . 1.9 pt? -108.81 -2.42 18.51 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 126.965 2.106 . . . . 0.0 114.444 -168.792 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -36.26 146.49 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 126.616 1.966 . . . . 0.0 116.112 -169.423 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -165.98 -165.01 22.62 Favored Glycine 0 C--O 1.226 -0.383 0 N-CA-C 117.211 1.644 . . . . 0.0 117.211 171.318 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -152.73 157.08 40.34 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.741 1.216 . . . . 0.0 112.371 -179.4 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.0 t -156.83 -176.03 5.75 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 126.333 1.853 . . . . 0.0 109.805 -177.213 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 56.6 p -143.72 171.37 14.29 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.793 1.637 . . . . 0.0 110.856 176.599 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.2 t -155.59 154.66 32.03 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.104 0.961 . . . . 0.0 111.028 171.348 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -82.91 116.56 22.26 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 168.843 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -138.43 177.8 7.62 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.687 1.595 . . . . 0.0 112.599 -178.569 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.5 p -83.28 -39.43 15.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 O-C-N 120.977 -1.077 . . . . 0.0 111.683 169.408 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.436 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 3.9 t70 173.01 -160.39 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 131.486 3.914 . . . . 0.0 106.815 -179.326 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.56 -20.56 1.99 Allowed 'General case' 0 CA--C 1.545 0.786 0 O-C-N 120.113 -1.617 . . . . 0.0 114.422 170.64 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.93 -5.68 18.18 Favored 'General case' 0 CA--C 1.546 0.825 0 O-C-N 120.848 -1.158 . . . . 0.0 113.523 173.031 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.1 m -137.22 -37.27 0.64 Allowed 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.988 1.715 . . . . 0.0 112.348 173.681 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.96 -38.17 85.61 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.92 1.288 . . . . 0.0 111.173 177.184 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -75.62 4.83 6.94 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 178.637 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.84 18.56 4.64 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 125.182 1.393 . . . . 0.0 111.482 172.227 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.2 t -119.07 -52.96 3.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 125.292 1.437 . . . . 0.0 110.099 178.057 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.546 ' HB3' HD22 ' A' ' 5' ' ' LEU . 23.3 m-85 -61.98 -26.6 68.31 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 176.947 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -54.46 -29.74 50.72 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.732 1.213 . . . . 0.0 113.178 175.088 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -81.32 -55.75 4.51 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.386 0.674 . . . . 0.0 109.613 177.325 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -58.99 -42.25 89.59 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.213 1.005 . . . . 0.0 112.458 -177.173 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.05 -51.77 67.93 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.01 0.924 . . . . 0.0 111.807 176.826 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 62.8 m-80 -72.11 -16.66 62.01 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 177.322 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -77.54 -31.57 53.37 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 119.494 1.043 . . . . 0.0 112.108 171.556 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -78.13 -40.55 37.76 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 168.331 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 118.8 6.74 11.08 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 128.868 3.128 . . . . 0.0 114.742 171.111 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.9 t -79.19 144.85 10.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 124.216 1.006 . . . . 0.0 110.943 173.369 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -164.86 63.81 0.13 Allowed 'General case' 0 CA--C 1.55 0.969 0 CA-C-O 122.577 1.179 . . . . 0.0 112.377 168.89 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.423 ' H ' HG22 ' A' ' 54' ' ' VAL . . . -91.99 -137.74 7.87 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 125.613 1.578 . . . . 0.0 115.805 176.019 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -68.54 86.96 0.31 Allowed 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.259 1.424 . . . . 0.0 112.984 -174.662 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 73.9 m95 -62.79 109.16 1.34 Allowed 'General case' 0 N--CA 1.467 0.413 0 O-C-N 120.384 -1.447 . . . . 0.0 109.785 179.445 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 75.3 m -134.07 162.03 33.22 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 126.86 2.064 . . . . 0.0 109.103 -169.383 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -154.9 165.13 37.66 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.638 1.575 . . . . 0.0 110.613 -173.575 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -142.54 156.0 45.07 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 126.338 1.855 . . . . 0.0 110.345 -174.298 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.434 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -126.24 1.93 7.1 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 114.884 1.438 . . . . 0.0 114.884 -177.379 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -89.36 -30.06 18.66 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.428 1.091 . . . . 0.0 110.309 169.332 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.04 -7.75 3.89 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 -175.586 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.434 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 1.2 mmpt? 60.68 46.71 8.89 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.328 1.851 . . . . 0.0 112.679 179.037 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 63.6 m -120.46 112.87 19.51 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.184 0.994 . . . . 0.0 111.695 -171.843 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -66.4 159.15 27.57 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.917 0.887 . . . . 0.0 111.524 169.27 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 52.8 m -146.72 153.67 40.52 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.532 1.533 . . . . 0.0 108.353 169.794 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.423 HG22 ' H ' ' A' ' 41' ' ' GLY 0.263 8.1 p -148.0 64.35 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 CA-C-O 123.204 1.478 . . . . 0.0 111.709 -177.228 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.3 m -66.04 95.85 0.29 Allowed 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.54 1.536 . . . . 0.0 112.928 -177.027 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -77.03 -31.41 56.27 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.874 1.269 . . . . 0.0 111.044 169.471 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 138.21 51.42 0.06 OUTLIER Glycine 0 CA--C 1.527 0.811 0 C-N-CA 124.218 0.914 . . . . 0.0 113.174 175.332 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.0 t -51.19 136.36 24.35 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 118.228 1.014 . . . . 0.0 112.064 172.527 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -59.39 -18.6 40.25 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.186 0.994 . . . . 0.0 113.542 170.694 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 52.6 t60 -109.09 105.56 15.1 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.025 1.73 . . . . 0.0 108.376 168.596 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -120.89 17.49 11.79 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.936 1.294 . . . . 0.0 113.326 -174.647 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 70.56 -31.13 0.21 Allowed 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 128.903 2.881 . . . . 0.0 116.069 169.878 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.493 ' CD2' HH22 ' A' ' 67' ' ' ARG . 0.0 OUTLIER -57.52 -28.48 63.51 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.424 1.489 . . . . 0.0 114.098 -175.388 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 27.8 p80 -65.92 -15.88 63.36 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 114.913 1.449 . . . . 0.0 114.913 176.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 15.1 mmt -69.02 -14.15 62.87 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 -178.617 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -149.98 167.4 26.81 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.37 1.468 . . . . 0.0 110.731 -179.265 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.493 HH22 ' CD2' ' A' ' 63' ' ' HIS . 6.6 mmp_? -134.15 -54.83 0.86 Allowed 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 125.299 1.44 . . . . 0.0 111.236 179.228 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 45.85 -36.92 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.222 1 C-N-CA 134.053 4.941 . . . . 0.0 120.055 170.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 96.9 p -73.85 -13.91 61.0 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 127.185 2.194 . . . . 0.0 115.006 178.979 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 80.5 m -64.62 -38.99 36.15 Favored Pre-proline 0 CA--C 1.554 1.102 0 N-CA-C 117.56 2.43 . . . . 0.0 117.56 -170.293 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -75.84 123.57 7.5 Favored 'Trans proline' 0 C--N 1.353 0.815 0 CA-C-N 122.601 1.964 . . . . 0.0 111.112 -174.718 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 11.0 mp -67.71 160.92 27.08 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-O 121.813 0.816 . . . . 0.0 111.833 173.547 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -150.96 -53.16 0.14 Allowed 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.885 1.274 . . . . 0.0 110.901 176.17 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 34.2 m 52.19 25.71 3.48 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 125.958 1.703 . . . . 0.0 115.205 171.605 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 116' ' ' GLU . 63.3 mttp -68.2 145.47 54.28 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 120.9 -1.125 . . . . 0.0 111.925 173.781 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 73.0 t -133.64 149.64 31.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 125.853 1.661 . . . . 0.0 110.072 -174.637 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -112.85 140.83 47.31 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 127.106 2.162 . . . . 0.0 109.255 177.231 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.487 HG13 ' HB3' ' A' ' 113' ' ' ALA . 6.1 p -144.23 142.28 24.1 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 C-N-CA 123.342 0.657 . . . . 0.0 112.442 177.46 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -153.27 -174.94 24.12 Favored Glycine 0 CA--C 1.533 1.172 0 N-CA-C 116.519 1.368 . . . . 0.0 116.519 177.837 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . 0.264 9.6 m120 51.68 -13.13 0.0 OUTLIER 'General case' 0 CA--C 1.557 1.213 1 C-N-CA 131.857 4.063 . . . . 0.0 118.901 -175.428 . . . . . . . . 3 2 . 1 . 023 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 55.0 tp -62.01 162.46 9.22 Favored 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 127.589 2.355 . . . . 0.0 110.369 169.564 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -154.06 143.87 10.58 Favored Glycine 0 CA--C 1.532 1.104 0 C-N-CA 125.944 1.735 . . . . 0.0 111.521 172.224 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -157.56 -56.67 0.08 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.583 1.153 . . . . 0.0 111.876 179.6 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 51.4 p30 -156.5 -27.89 0.1 Allowed 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.42 1.888 . . . . 0.0 113.463 174.44 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 77.69 42.93 16.09 Favored Glycine 0 CA--C 1.531 1.033 0 C-N-CA 124.247 0.927 . . . . 0.0 113.97 -175.488 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -111.79 -52.61 2.77 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 117.557 -1.211 . . . . 0.0 112.229 170.016 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.4 ptmm? 143.76 -23.78 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 131.018 3.727 . . . . 0.0 115.268 -178.456 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 52.0 m -49.59 -52.92 26.86 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 115.673 1.731 . . . . 0.0 115.673 -168.125 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -66.05 -55.4 16.81 Favored 'General case' 0 C--N 1.339 0.12 0 CA-C-N 119.035 0.834 . . . . 0.0 110.934 -179.564 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.9 pp -61.89 -35.03 77.15 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -177.247 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -58.63 -43.28 89.66 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.505 1.122 . . . . 0.0 112.188 172.859 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.44 -41.88 72.29 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 118.803 0.728 . . . . 0.0 111.913 172.318 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.06 -44.33 82.93 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.226 1.01 . . . . 0.0 112.442 177.955 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.538 ' CD2' HG21 ' A' ' 115' ' ' VAL . 18.6 m-85 -70.75 -60.99 1.94 Allowed 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 125.953 1.701 . . . . 0.0 111.942 175.853 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -65.64 -12.48 56.61 Favored Glycine 0 CA--C 1.542 1.767 0 C-N-CA 120.213 -0.994 . . . . 0.0 115.085 -173.965 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -58.42 -49.19 78.17 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.208 1.803 . . . . 0.0 112.365 168.196 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -62.9 -42.08 99.66 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 118.448 0.567 . . . . 0.0 109.693 172.82 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 178.39 157.98 20.15 Favored Glycine 0 N--CA 1.475 1.242 0 CA-C-O 118.869 -0.962 . . . . 0.0 114.731 168.772 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -58.35 142.34 97.57 Favored 'Trans proline' 0 CA--C 1.536 0.618 0 C-N-CA 122.421 2.08 . . . . 0.0 113.733 -169.1 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.459 HD22 HG22 ' A' ' 103' ' ' VAL . 0.2 OUTLIER -127.17 150.75 49.37 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.092 1.357 . . . . 0.0 112.468 179.261 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 18.6 ttm180 -93.95 -38.47 11.17 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.666 1.586 . . . . 0.0 112.97 -169.662 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.0 m -136.55 140.58 43.03 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.933 0.893 . . . . 0.0 109.833 -175.897 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.459 HG22 HD22 ' A' ' 100' ' ' LEU . 19.0 t -145.52 129.69 11.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 124.702 1.201 . . . . 0.0 107.957 -178.925 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 83.0 t90 -142.84 150.19 39.57 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 124.331 1.052 . . . . 0.0 111.208 -169.947 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.464 HG12 ' HB1' ' A' ' 113' ' ' ALA . 14.0 m -140.39 151.82 21.24 Favored 'Isoleucine or valine' 0 C--O 1.238 0.47 0 C-N-CA 124.031 0.932 . . . . 0.0 109.181 169.65 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -68.17 170.03 9.29 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.846 0.858 . . . . 0.0 113.173 178.966 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.99 45.9 0.96 Allowed 'General case' 0 N--CA 1.484 1.236 0 CA-C-O 122.752 1.263 . . . . 0.0 113.098 -173.132 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -160.47 174.72 3.66 Favored Pre-proline 0 CA--C 1.553 1.07 0 C-N-CA 130.892 3.677 . . . . 0.0 108.009 -173.392 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -50.49 154.28 6.49 Favored 'Trans proline' 0 CA--C 1.548 1.193 0 C-N-CA 122.398 2.065 . . . . 0.0 111.805 169.082 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -78.32 34.66 0.5 Allowed 'Trans proline' 0 CA--C 1.543 0.927 0 C-N-CA 124.716 3.611 . . . . 0.0 113.141 -169.848 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -68.13 -5.15 39.62 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 124.687 1.137 . . . . 0.0 111.977 169.718 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -158.55 122.69 4.04 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 127.503 2.321 . . . . 0.0 108.678 171.873 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.487 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -164.57 170.71 15.44 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 126.364 1.866 . . . . 0.0 112.477 -168.555 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.408 ' CE2' ' C4 ' ' B' ' 152' ' ' ' A' . 77.7 m-85 -144.0 163.34 33.78 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 -174.849 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.538 HG21 ' CD2' ' A' ' 94' ' ' PHE . 1.4 t -146.21 163.21 10.02 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 126.006 1.722 . . . . 0.0 111.853 -175.37 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.418 ' HA ' ' HA ' ' A' ' 75' ' ' LYS . 62.0 tt0 -142.07 99.27 3.49 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.799 2.04 . . . . 0.0 111.153 169.556 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -68.97 173.83 5.06 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.034 0.934 . . . . 0.0 112.836 170.497 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -119.08 0.63 11.31 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.251 1.02 . . . . 0.0 113.421 -179.429 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -148.34 125.48 5.58 Favored Pre-proline 0 CA--C 1.547 0.845 0 O-C-N 120.607 -1.308 . . . . 0.0 110.376 177.855 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -69.15 -24.31 32.62 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 123.131 2.554 . . . . 0.0 113.779 -173.716 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 22.8 ttp-105 -61.17 -51.42 69.12 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 119.765 1.166 . . . . 0.0 110.338 170.309 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -75.05 -35.87 61.85 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.318 -174.899 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.85 -37.55 87.79 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 122.964 0.506 . . . . 0.0 112.311 171.173 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -68.37 -45.7 72.07 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 119.297 0.953 . . . . 0.0 111.938 174.917 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.81 -42.97 80.48 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.232 0.613 . . . . 0.0 111.394 172.415 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.99 -57.91 9.88 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.112 0.565 . . . . 0.0 110.463 174.766 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 24.3 t -52.9 -35.11 21.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 125.428 1.491 . . . . 0.0 113.785 178.965 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.65 -1.92 36.8 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 114.676 1.361 . . . . 0.0 114.676 -174.684 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -116.46 -22.95 8.5 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.169 0.987 . . . . 0.0 113.034 169.543 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.408 HD13 ' CE1' ' A' ' 94' ' ' PHE . 86.3 mt -91.17 6.71 43.96 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 126.544 1.937 . . . . 0.0 111.787 169.142 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 22.0 p30 -42.59 -27.56 0.17 Allowed 'General case' 0 CA--C 1.553 1.066 0 N-CA-C 119.519 3.155 . . . . 0.0 119.519 -169.688 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 164.55 -27.1 0.2 Allowed Glycine 0 CA--C 1.533 1.183 0 C-N-CA 124.809 1.195 . . . . 0.0 115.933 -169.825 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 19.2 mtt180 -40.72 -70.11 0.11 Allowed 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 126.918 2.087 . . . . 0.0 115.127 -169.596 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 2.0 m 174.3 154.75 0.12 Allowed 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 131.334 3.854 . . . . 0.0 106.587 -177.768 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -138.2 -63.19 0.56 Allowed 'General case' 0 N--CA 1.478 0.954 0 CA-C-N 118.54 0.609 . . . . 0.0 111.025 172.194 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 2.7 t -82.67 -51.22 7.93 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 118.781 0.719 . . . . 0.0 109.852 169.254 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 170.31 33.32 0.02 OUTLIER Glycine 0 N--CA 1.476 1.337 0 CA-C-O 121.728 0.627 . . . . 0.0 113.87 177.434 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -161.9 157.76 24.36 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 128.8 2.84 . . . . 0.0 106.649 -168.235 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -69.29 130.59 43.03 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.202 0.601 . . . . 0.0 109.745 -169.356 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 7.5 p -109.21 56.77 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 126.424 1.89 . . . . 0.0 109.013 -169.979 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.95 113.08 2.12 Favored 'General case' 0 N--CA 1.479 0.983 0 O-C-N 120.786 -1.196 . . . . 0.0 109.504 -171.137 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 6.4 t -120.99 143.82 31.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 123.094 0.558 . . . . 0.0 111.106 -172.645 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -140.58 172.32 12.87 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.417 1.087 . . . . 0.0 110.916 171.008 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 6.2 tt -82.28 128.34 34.1 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 168.413 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.1 137.72 53.69 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -169.609 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 63.35 -44.22 0.23 Allowed 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 129.712 3.205 . . . . 0.0 116.581 170.394 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 165.11 179.69 39.17 Favored Glycine 0 CA--C 1.537 1.426 0 C-N-CA 126.385 1.945 . . . . 0.0 112.509 -174.795 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -132.91 159.76 38.98 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.657 1.183 . . . . 0.0 111.587 -178.24 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . 0.321 0.0 OUTLIER -87.48 55.83 3.69 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-O 123.096 1.427 . . . . 0.0 113.175 -171.346 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.174 0 C-N-CA 127.917 2.487 . . . . 0.0 112.001 179.759 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 151' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.128 1 C3'-C2'-C1' 105.435 4.372 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 152' ' ' ' A' . . . . . 0.408 ' C4 ' ' CE2' ' A' ' 114' ' ' PHE . . . . . . . . 0 C5'--C4' 1.537 2.05 4 O4'-C1'-N19 114.485 6.285 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.924 2 O5'-C5'-C4' 116.498 4.498 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.781 3 P-O3'-C3' 126.972 6.06 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.9 mmm . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 119.266 -0.397 . . . . 0.0 111.425 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 60.19 132.17 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 129.086 2.954 . . . . 0.0 114.965 -169.66 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.408 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 92.8 m-85 -127.98 154.35 45.69 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 126.739 2.016 . . . . 0.0 109.107 -176.58 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -112.06 161.5 16.41 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.402 1.081 . . . . 0.0 111.776 -174.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.414 ' CD1' ' HG ' ' A' ' 7' ' ' LEU . 2.2 tm? -144.26 133.51 23.05 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 126.328 1.851 . . . . 0.0 110.579 176.34 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mp -114.66 112.82 41.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 125.918 1.687 . . . . 0.0 110.02 172.513 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.424 HD11 ' CE2' ' A' ' 33' ' ' TYR . 42.7 mt -83.09 43.44 0.87 Allowed 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 127.518 2.327 . . . . 0.0 111.912 173.57 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -58.27 124.95 21.2 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 119.612 -1.93 . . . . 0.0 112.305 -175.91 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -146.58 -163.73 10.59 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 116.902 1.521 . . . . 0.0 116.902 172.068 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.37 -30.34 6.61 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.716 1.606 . . . . 0.0 112.763 172.649 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 93.5 m -71.37 -34.49 70.48 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.411 1.084 . . . . 0.0 110.626 171.88 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.463 HD21 HG23 ' A' ' 39' ' ' VAL . 0.7 OUTLIER -163.09 -174.69 3.96 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 128.521 2.728 . . . . 0.0 109.267 170.347 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.49 151.52 20.74 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 125.39 1.476 . . . . 0.0 110.363 166.209 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -172.6 -170.13 36.02 Favored Glycine 0 CA--C 1.529 0.949 0 N-CA-C 115.526 0.97 . . . . 0.0 115.526 168.621 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -155.32 157.96 37.99 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.637 1.175 . . . . 0.0 112.959 -179.615 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.9 t -156.25 -175.9 5.68 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 126.117 1.767 . . . . 0.0 110.404 179.194 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.6 p -141.66 175.05 10.0 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 125.211 1.405 . . . . 0.0 110.874 173.729 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.0 t -157.85 151.35 23.61 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 124.031 0.933 . . . . 0.0 110.772 171.906 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -77.03 125.9 30.08 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 106.546 -1.65 . . . . 0.0 106.546 166.392 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.428 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -143.67 174.52 10.72 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.364 1.466 . . . . 0.0 111.556 178.489 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.1 t -77.1 -47.14 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 O-C-N 121.666 -0.646 . . . . 0.0 109.994 169.158 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.408 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 4.4 t70 179.0 -157.12 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 130.429 3.492 . . . . 0.0 106.281 179.269 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.23 -20.81 2.87 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 120.049 -1.657 . . . . 0.0 113.963 169.661 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.61 -7.41 10.38 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.578 1.151 . . . . 0.0 113.826 172.156 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.428 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 45.3 m -138.68 -37.0 0.55 Allowed 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.538 1.535 . . . . 0.0 112.17 176.178 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.72 -38.12 86.05 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.939 1.296 . . . . 0.0 111.215 177.445 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -74.34 2.91 8.25 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 179.603 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.415 ' HE3' HG23 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -130.57 19.07 5.21 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 125.169 1.388 . . . . 0.0 111.57 173.454 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.415 HG23 ' HE3' ' A' ' 28' ' ' LYS . 3.1 t -119.54 -52.08 3.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 125.234 1.414 . . . . 0.0 109.924 177.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -62.75 -26.31 68.63 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 178.11 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -56.27 -32.89 64.95 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.571 1.148 . . . . 0.0 112.583 175.744 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -79.53 -49.77 11.74 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.312 0.645 . . . . 0.0 110.597 179.154 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.424 ' CE2' HD11 ' A' ' 7' ' ' LEU . 86.2 t80 -59.1 -41.82 89.02 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.538 1.135 . . . . 0.0 112.23 178.729 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.1 -46.23 90.0 Favored 'General case' 0 N--CA 1.451 -0.397 0 O-C-N 121.177 -0.952 . . . . 0.0 111.582 179.174 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -69.48 -17.41 63.61 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 114.167 1.173 . . . . 0.0 114.167 178.089 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . 0.285 1.2 p30 -91.21 -16.38 27.74 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 120.206 1.366 . . . . 0.0 114.419 171.673 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 63.6 m-80 -87.62 -32.73 19.13 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.273 0.629 . . . . 0.0 109.824 167.671 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.02 6.88 22.22 Favored Glycine 0 CA--C 1.531 1.067 0 C-N-CA 127.792 2.615 . . . . 0.0 114.928 171.219 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.463 HG23 HD21 ' A' ' 12' ' ' LEU . 34.2 t -84.82 152.6 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 123.857 0.863 . . . . 0.0 111.693 173.708 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -162.51 52.35 0.2 Allowed 'General case' 0 CA--C 1.549 0.93 0 CA-C-O 123.067 1.413 . . . . 0.0 111.969 168.889 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.44 -154.69 1.3 Allowed Glycine 0 CA--C 1.545 1.959 0 C-N-CA 127.188 2.327 . . . . 0.0 117.714 177.855 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -62.49 0.59 0.45 Allowed 'General case' 0 N--CA 1.486 1.349 1 N-CA-C 121.839 4.015 . . . . 0.0 121.839 -168.265 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 82.2 m95 28.4 74.51 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 129.225 3.01 . . . . 0.0 116.27 -174.735 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.46 165.48 11.63 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 125.657 1.583 . . . . 0.0 112.003 176.291 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -151.52 164.32 37.07 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 126.236 1.814 . . . . 0.0 110.737 178.688 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -139.72 168.76 19.08 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.916 1.286 . . . . 0.0 111.742 -178.239 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.423 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.4 OUTLIER -129.33 -6.16 4.8 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.768 1.627 . . . . 0.0 114.276 176.823 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.91 -32.75 51.86 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 121.467 -0.771 . . . . 0.0 110.624 170.481 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.4 t -139.01 8.78 2.53 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 177.943 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.423 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 2.8 mmpt? 53.78 42.05 31.89 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-O 122.657 1.218 . . . . 0.0 113.269 168.623 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 46.4 m -121.17 113.91 20.67 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 125.883 1.673 . . . . 0.0 109.419 -169.815 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -66.27 156.8 33.27 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.044 0.938 . . . . 0.0 110.518 169.299 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.3 m -149.18 133.47 17.42 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 108.201 -1.036 . . . . 0.0 108.201 171.11 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.2 p -130.42 66.07 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 123.12 1.438 . . . . 0.0 109.917 -171.466 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 31.0 m -58.66 100.58 0.07 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 114.359 -1.292 . . . . 0.0 113.446 -173.44 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -64.72 -14.28 58.04 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 127.871 2.468 . . . . 0.0 113.12 174.545 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -66.19 -22.64 71.0 Favored Glycine 0 CA--C 1.538 1.492 0 C-N-CA 124.341 0.972 . . . . 0.0 113.074 169.016 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.5 p 56.11 -20.65 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 129.83 3.252 . . . . 0.0 119.316 175.084 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -106.69 -7.77 17.16 Favored 'General case' 0 CA--C 1.548 0.865 0 C-N-CA 124.831 1.253 . . . . 0.0 113.385 -170.588 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -150.71 143.74 24.72 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.764 1.226 . . . . 0.0 110.851 173.592 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 31.2 m-70 -71.03 82.64 0.68 Allowed 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 126.185 1.794 . . . . 0.0 112.926 -178.674 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 33.2 m80 -75.99 54.9 0.87 Allowed 'General case' 0 CA--C 1.55 0.946 0 O-C-N 120.972 -1.08 . . . . 0.0 112.641 179.688 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -74.99 39.91 0.14 Allowed 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 126.597 1.959 . . . . 0.0 113.211 178.683 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 22.0 p80 -147.98 165.21 31.42 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.012 1.325 . . . . 0.0 112.749 -169.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.0 174.35 3.85 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.602 0.761 . . . . 0.0 112.534 170.014 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -72.8 51.06 0.27 Allowed 'General case' 0 CA--C 1.555 1.144 0 C-N-CA 125.976 1.711 . . . . 0.0 114.731 -172.953 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -67.38 179.34 1.29 Allowed 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.647 1.579 . . . . 0.0 114.492 -179.791 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -61.68 158.91 14.4 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 127.842 2.457 . . . . 0.0 115.124 174.877 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.2 t 52.68 21.32 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 128.309 2.644 . . . . 0.0 116.896 169.445 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 98.3 m -69.67 145.53 95.0 Favored Pre-proline 0 CA--C 1.555 1.16 0 O-C-N 120.698 -1.251 . . . . 0.0 112.408 179.233 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -55.72 54.85 0.04 OUTLIER 'Trans proline' 0 CA--C 1.555 1.553 1 C-N-CA 127.661 5.574 . . . . 0.0 118.291 172.825 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 85.7 mt -117.84 -0.12 11.81 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.374 1.47 . . . . 0.0 114.28 -169.672 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -156.09 169.86 23.51 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.967 1.707 . . . . 0.0 110.158 -179.231 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 4.7 m -94.82 -8.1 38.39 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.247 1.419 . . . . 0.0 113.378 175.96 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.12 130.2 39.76 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.434 1.094 . . . . 0.0 111.156 179.9 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 42.8 t -130.08 134.34 62.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 125.396 1.478 . . . . 0.0 110.935 -172.089 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -90.65 147.46 23.28 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 124.682 1.193 . . . . 0.0 109.056 169.149 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.5 HG13 ' HB3' ' A' ' 113' ' ' ALA . 0.2 OUTLIER -150.12 152.65 11.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.879 0.847 . . . . 0.0 111.89 170.749 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.494 ' HA2' ' HA ' ' A' ' 112' ' ' PHE . . . -134.05 139.76 11.17 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 108.333 -1.907 . . . . 0.0 108.333 167.464 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -146.16 155.18 42.54 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 117.973 0.886 . . . . 0.0 113.295 -167.666 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 54.4 tp 56.5 -28.14 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 130.277 3.431 . . . . 0.0 117.901 176.694 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.42 26.3 70.5 Favored Glycine 0 CA--C 1.539 1.568 0 CA-C-N 120.272 1.396 . . . . 0.0 114.855 179.515 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 21.2 t30 -142.18 -47.18 0.35 Allowed 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 118.334 1.067 . . . . 0.0 113.319 -179.573 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -161.68 165.95 27.43 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.216 1.806 . . . . 0.0 110.199 179.08 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -83.88 138.98 18.13 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.975 -0.45 . . . . 0.0 111.975 171.611 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -155.76 141.46 17.94 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.243 1.817 . . . . 0.0 107.842 168.042 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.9 ptmm? -94.31 -18.42 21.64 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 115.171 1.545 . . . . 0.0 115.171 -170.233 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 14.6 m -47.6 -62.0 1.66 Allowed 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 120.403 1.456 . . . . 0.0 114.753 -169.478 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -76.26 -42.85 44.34 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 117.681 -1.152 . . . . 0.0 110.221 -176.555 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.427 HD12 ' N ' ' A' ' 91' ' ' GLU 0.259 2.7 pp -60.02 -36.1 76.52 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 120.731 1.605 . . . . 0.0 112.618 179.56 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.427 ' N ' HD12 ' A' ' 90' ' ' LEU . 22.1 tt0 -61.01 -48.72 80.51 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.611 1.164 . . . . 0.0 112.429 173.898 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.9 ppt_? -65.47 -39.33 91.84 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 119.497 1.044 . . . . 0.0 112.446 172.124 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.3 -43.12 92.12 Favored 'General case' 0 C--O 1.221 -0.427 0 C-N-CA 125.127 1.371 . . . . 0.0 111.042 -174.845 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.506 ' CD2' HG21 ' A' ' 115' ' ' VAL . 10.5 m-85 -63.68 -64.66 0.84 Allowed 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 124.431 1.092 . . . . 0.0 111.497 173.229 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -61.75 -17.72 54.94 Favored Glycine 0 CA--C 1.545 1.954 0 N-CA-C 115.112 0.805 . . . . 0.0 115.112 -174.593 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -56.4 -50.93 70.18 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.848 1.659 . . . . 0.0 112.902 168.806 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -68.24 -38.74 82.16 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.403 0.681 . . . . 0.0 111.128 177.361 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -174.1 156.18 23.04 Favored Glycine 0 N--CA 1.472 1.093 0 CA-C-O 118.182 -1.344 . . . . 0.0 113.307 169.513 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -61.87 149.79 88.7 Favored 'Trans proline' 0 CA--C 1.536 0.595 0 CA-C-N 121.187 2.494 . . . . 0.0 113.215 -169.647 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -132.24 158.9 40.59 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 177.293 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 20.9 ptt-85 -120.65 -8.88 9.45 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.582 1.553 . . . . 0.0 114.607 -169.681 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.7 t -148.11 139.41 23.48 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.072 0.949 . . . . 0.0 110.935 169.329 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 12.6 t -143.73 124.64 9.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 125.759 1.624 . . . . 0.0 108.517 174.389 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 78.0 t90 -137.72 152.34 49.14 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 125.542 1.537 . . . . 0.0 111.412 179.559 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 4.5 m -145.37 150.5 15.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 124.42 1.088 . . . . 0.0 110.981 176.054 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -79.66 110.02 14.6 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.019 0.528 . . . . 0.0 110.459 178.128 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.71 23.67 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 126.893 2.077 . . . . 0.0 115.985 -174.83 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 25.3 p-10 -145.44 171.31 6.68 Favored Pre-proline 0 CA--C 1.558 1.276 0 C-N-CA 127.172 2.189 . . . . 0.0 111.083 -173.467 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -47.72 -30.34 12.62 Favored 'Trans proline' 0 CA--C 1.546 1.097 0 C-N-CA 124.708 3.606 . . . . 0.0 119.581 -172.091 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -45.66 -32.82 9.09 Favored 'Trans proline' 0 C--N 1.356 0.966 0 C-N-CA 123.965 3.11 . . . . 0.0 115.07 169.444 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 63.99 -13.01 0.15 Allowed Glycine 0 CA--C 1.536 1.352 0 N-CA-C 118.659 2.224 . . . . 0.0 118.659 168.787 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.494 ' HA ' ' HA2' ' A' ' 79' ' ' GLY 0.379 0.1 OUTLIER -66.66 176.76 1.82 Allowed 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 119.096 1.448 . . . . 0.0 113.041 174.951 . . . . . . . . 4 4 . 1 . 024 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.5 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -158.95 170.84 21.21 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 126.346 1.858 . . . . 0.0 113.547 -168.162 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.407 ' CE2' ' C4 ' ' B' ' 152' ' ' ' A' . 89.2 m-85 -147.14 157.7 43.69 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 177.576 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.506 HG21 ' CD2' ' A' ' 94' ' ' PHE . 2.3 t -149.28 157.45 6.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 125.038 1.335 . . . . 0.0 112.604 -174.408 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -133.08 112.43 11.78 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.551 1.14 . . . . 0.0 108.355 165.725 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -74.02 168.03 20.34 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.959 1.303 . . . . 0.0 113.806 173.46 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -71.34 -43.66 66.56 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 121.229 -0.92 . . . . 0.0 112.244 176.78 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -132.84 153.88 81.21 Favored Pre-proline 0 CA--C 1.555 1.153 0 C-N-CA 125.567 1.547 . . . . 0.0 112.468 179.693 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -57.62 -31.83 92.85 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 123.771 2.981 . . . . 0.0 115.024 178.539 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.84 -38.53 79.86 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 120.153 1.342 . . . . 0.0 111.984 173.969 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -57.01 -49.14 76.71 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 119.268 0.94 . . . . 0.0 110.272 173.729 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.47 -43.74 98.1 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-O 118.727 -0.654 . . . . 0.0 112.678 174.6 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.51 -44.5 86.79 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 119.915 1.234 . . . . 0.0 112.691 -178.493 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -64.47 -40.41 95.64 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 118.631 0.65 . . . . 0.0 110.987 174.826 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.49 -53.62 39.88 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 122.023 -0.423 . . . . 0.0 111.695 177.49 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 38.2 t -52.69 -42.54 41.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 125.51 1.524 . . . . 0.0 111.8 176.126 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 34.7 ttp-105 -69.41 -38.58 77.99 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.428 0.691 . . . . 0.0 112.445 179.746 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -97.58 -0.3 46.06 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 -176.245 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.466 ' HB3' HG21 ' A' ' 142' ' ' VAL . 90.4 mt -115.19 -17.15 11.45 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.29 1.836 . . . . 0.0 112.804 173.067 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 41.8 p30 6.43 -54.74 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.973 1 C-N-CA 132.441 4.297 . . . . 0.0 120.145 169.805 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 167.47 12.45 0.02 OUTLIER Glycine 0 CA--C 1.539 1.583 0 C-N-CA 128.349 2.88 . . . . 0.0 116.393 -179.071 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -69.81 -49.1 55.97 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.847 1.659 . . . . 0.0 115.168 -169.503 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 165.09 146.8 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 130.34 3.456 . . . . 0.0 108.747 175.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 10.9 tp -165.82 147.02 6.95 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 127.001 2.12 . . . . 0.0 106.484 177.452 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 64.3 m 63.35 -40.91 0.2 Allowed 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 127.72 2.408 . . . . 0.0 112.098 -166.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 144.22 28.14 0.11 Allowed Glycine 0 CA--C 1.528 0.904 0 C-N-CA 126.772 2.13 . . . . 0.0 115.048 168.373 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 12.0 t -148.69 -152.31 0.43 Allowed 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.019 1.327 . . . . 0.0 107.6 -174.718 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -70.72 142.21 51.49 Favored 'General case' 0 N--CA 1.463 0.217 0 O-C-N 121.351 -0.843 . . . . 0.0 110.854 171.084 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 9.5 p -130.32 169.86 20.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 105.558 -2.015 . . . . 0.0 105.558 168.074 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -161.51 133.56 5.75 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 126.172 1.789 . . . . 0.0 107.725 168.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.466 HG21 ' HB3' ' A' ' 130' ' ' LEU . 64.5 t -139.18 134.59 41.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 CA-C-N 119.293 0.951 . . . . 0.0 110.206 -174.473 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -139.85 161.62 37.14 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.714 0.806 . . . . 0.0 111.179 -176.324 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.76 134.58 38.03 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 168.872 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.42 149.7 47.89 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 -169.833 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . 0.471 HD22 ' N4 ' ' B' ' 151' ' ' ' C' . 70.8 m-80 -134.96 158.87 43.21 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.982 1.713 . . . . 0.0 111.734 -175.505 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -63.14 -27.81 71.15 Favored Glycine 0 CA--C 1.538 1.508 0 C-N-CA 123.624 0.63 . . . . 0.0 113.715 171.45 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -153.68 143.28 21.74 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.58 1.552 . . . . 0.0 110.846 170.051 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? 168.63 163.89 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 130.006 3.322 . . . . 0.0 111.096 169.28 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.052 0 C-N-CA 127.109 2.164 . . . . 0.0 110.81 170.508 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 151' ' ' ' C' . . . . . 0.471 ' N4 ' HD22 ' A' ' 146' ' ' ASN . . . . . . . . 0 O4'--C4' 1.417 -2.98 1 C3'-C2'-C1' 105.94 4.934 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 152' ' ' ' A' . . . . . 0.407 ' C4 ' ' CE2' ' A' ' 114' ' ' PHE . . . . . . . . 0 O4'--C4' 1.432 -1.712 3 C4'-C3'-C2' 96.393 -6.307 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 153' ' ' ' U' . . . . . 0.4 " H3'" H5'' ' B' ' 154' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.549 2.971 2 C5'-C4'-O4' 117.473 5.909 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 154' ' ' ' C' . . . . . 0.4 H5'' " H3'" ' B' ' 153' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.416 -3.063 2 O4'-C1'-N19 114.587 6.387 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 91.9 mtp . . . . . 0 N--CA 1.486 1.365 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . 0.266 15.9 tt0 64.74 137.77 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 128.154 2.582 . . . . 0.0 114.835 -169.749 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.431 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 89.8 m-85 -128.55 150.1 50.33 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 127.058 2.143 . . . . 0.0 108.885 -176.703 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -105.71 162.35 13.6 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.743 1.217 . . . . 0.0 111.491 -179.455 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.55 HD11 ' CD2' ' A' ' 7' ' ' LEU . 1.5 tm? -144.92 137.91 26.53 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 127.044 2.138 . . . . 0.0 110.315 175.96 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.3 mp -117.28 113.63 43.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 126.42 1.888 . . . . 0.0 109.7 173.434 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.55 ' CD2' HD11 ' A' ' 5' ' ' LEU . 84.2 mt -85.18 66.8 9.92 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 126.508 1.923 . . . . 0.0 110.271 171.65 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.426 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 55.8 t30 -67.34 72.71 0.13 Allowed 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.352 1.242 . . . . 0.0 114.352 -177.035 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -114.1 132.98 10.86 Favored Glycine 0 N--CA 1.471 1.024 0 CA-C-O 122.864 1.258 . . . . 0.0 115.251 177.244 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.14 -39.25 5.87 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 127.669 2.387 . . . . 0.0 117.422 -169.379 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 38.8 m -105.48 -9.22 17.62 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.384 1.074 . . . . 0.0 113.212 -173.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.464 HD11 HG23 ' A' ' 39' ' ' VAL . 2.5 pt? -147.7 2.22 0.71 Allowed 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 117.682 2.475 . . . . 0.0 117.682 -166.754 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.25 146.1 0.09 Allowed 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 117.154 2.279 . . . . 0.0 117.154 -168.426 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.86 -160.63 15.8 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 117.364 1.705 . . . . 0.0 117.364 169.585 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -147.29 165.54 29.81 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.344 1.458 . . . . 0.0 111.647 -175.628 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.0 t -160.19 -177.53 6.34 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.883 1.673 . . . . 0.0 110.238 169.15 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 74.8 p -141.47 170.09 16.37 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 126.022 1.729 . . . . 0.0 109.711 172.112 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.0 t -155.92 155.79 33.45 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 121.204 -0.935 . . . . 0.0 110.876 170.734 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -84.09 119.51 25.06 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 168.252 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.36 173.86 11.11 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.698 1.599 . . . . 0.0 112.077 -176.704 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 83.9 t -77.87 -46.63 26.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 O-C-N 121.631 -0.668 . . . . 0.0 110.5 169.275 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.431 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 5.3 t70 177.25 -156.88 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 131.064 3.746 . . . . 0.0 106.07 179.429 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.67 -20.37 2.03 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 120.014 -1.679 . . . . 0.0 114.163 169.841 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.17 -7.24 11.72 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.452 1.101 . . . . 0.0 113.735 172.002 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 54.3 m -140.34 -37.69 0.46 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.979 1.712 . . . . 0.0 112.101 177.035 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.01 -38.85 86.7 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.164 1.386 . . . . 0.0 111.046 177.622 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -74.48 3.31 7.78 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.437 ' HE3' HG23 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -131.27 19.13 4.87 Favored 'General case' 0 C--O 1.226 -0.176 0 C-N-CA 125.111 1.364 . . . . 0.0 111.492 172.924 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.437 HG23 ' HE3' ' A' ' 28' ' ' LYS . 3.5 t -119.21 -51.73 3.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 124.928 1.291 . . . . 0.0 110.117 176.79 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -60.38 -27.46 67.43 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.816 0.672 . . . . 0.0 112.816 177.084 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -56.87 -30.31 63.73 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.886 1.274 . . . . 0.0 112.78 174.119 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -77.78 -52.4 8.98 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 118.605 0.639 . . . . 0.0 110.71 176.808 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -61.8 -41.8 98.21 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.362 1.065 . . . . 0.0 112.383 -178.09 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.38 -50.58 73.14 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 123.353 0.661 . . . . 0.0 111.455 178.116 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 57.4 m-80 -71.82 -15.83 62.15 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 179.881 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -81.78 -31.34 31.9 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 118.99 0.814 . . . . 0.0 112.89 172.112 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 56.8 m-80 -76.97 -35.91 56.85 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 168.08 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 118.56 -3.73 15.3 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 129.297 3.332 . . . . 0.0 114.28 172.4 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.464 HG23 HD11 ' A' ' 12' ' ' LEU . 71.4 t -72.28 148.47 9.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 CA-C-N 118.603 1.202 . . . . 0.0 111.878 176.312 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -164.64 52.24 0.12 Allowed 'General case' 0 CA--C 1.547 0.856 0 CA-C-O 123.323 1.535 . . . . 0.0 109.866 167.953 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.38 -157.42 0.22 Allowed Glycine 0 CA--C 1.539 1.555 0 C-N-CA 127.067 2.27 . . . . 0.0 116.351 172.721 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -71.6 95.61 1.45 Allowed 'General case' 0 CA--C 1.546 0.789 0 O-C-N 121.344 -1.091 . . . . 0.0 112.178 177.843 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 84.8 m95 -60.6 118.88 7.1 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 120.717 -1.24 . . . . 0.0 110.07 -179.313 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -130.72 161.05 32.54 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 126.851 2.06 . . . . 0.0 110.243 -174.397 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -153.09 164.87 37.22 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.69 1.196 . . . . 0.0 111.101 -179.688 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -140.6 164.22 30.75 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.015 1.726 . . . . 0.0 110.463 -176.826 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.405 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 21.4 t70 -132.57 -2.02 3.43 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.095 1.358 . . . . 0.0 114.59 -179.311 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.83 -28.88 32.84 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 121.453 -0.779 . . . . 0.0 110.28 169.572 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.6 p -135.11 -12.88 2.15 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 125.667 1.587 . . . . 0.0 113.175 -171.951 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.405 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 1.0 OUTLIER 62.54 46.58 5.49 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.622 1.569 . . . . 0.0 112.407 178.018 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 95.4 m -118.25 113.64 21.8 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 125.041 1.337 . . . . 0.0 111.088 -174.059 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -67.64 159.31 30.22 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.994 0.918 . . . . 0.0 111.171 169.033 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 25.7 m -146.23 159.6 43.11 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 125.321 1.449 . . . . 0.0 107.814 170.645 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.501 ' CG1' HD23 ' A' ' 7' ' ' LEU 0.259 12.2 p -152.73 68.84 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-O 122.77 1.272 . . . . 0.0 110.943 -179.519 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.426 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 94.8 m -66.48 113.68 4.9 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.496 -0.752 . . . . 0.0 112.266 -172.146 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.43 86.83 5.71 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.214 1.405 . . . . 0.0 113.338 -170.004 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -123.69 37.31 2.75 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 126.566 2.031 . . . . 0.0 109.69 168.797 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 94.1 p -126.43 -20.63 4.36 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 126.06 1.744 . . . . 0.0 113.735 -169.674 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -132.42 71.45 1.47 Allowed 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.883 2.073 . . . . 0.0 109.053 -176.947 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -58.37 -18.9 31.34 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 120.838 -1.164 . . . . 0.0 113.744 -178.714 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 32.0 p80 -62.63 -18.83 63.01 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 170.926 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 25.8 m170 -76.85 -11.39 59.82 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 119.451 1.023 . . . . 0.0 113.646 169.761 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 44.0 t60 -59.89 141.66 55.04 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 119.806 1.185 . . . . 0.0 113.238 -171.318 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 33.7 t-80 -146.88 173.66 12.21 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 127.384 2.274 . . . . 0.0 108.336 174.569 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 43.3 tpp -66.33 75.32 0.09 Allowed 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.521 1.528 . . . . 0.0 113.474 -175.408 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 56.8 m-70 -141.35 136.05 31.09 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.596 1.558 . . . . 0.0 113.344 -173.029 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.2 mmt180 -139.31 7.7 2.4 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 126.414 1.885 . . . . 0.0 111.404 167.344 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -62.75 161.42 12.53 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.485 0.714 . . . . 0.0 110.649 169.177 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.9 m 63.29 -18.8 0.06 Allowed 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 116.034 1.864 . . . . 0.0 116.034 -178.846 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 7.2 t -145.25 67.49 13.17 Favored Pre-proline 0 CA--C 1.554 1.114 0 C-N-CA 126.399 1.879 . . . . 0.0 110.568 170.629 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -55.45 -18.48 19.59 Favored 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 124.705 3.603 . . . . 0.0 116.923 -174.154 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.5 tp -141.47 179.74 6.62 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.056 1.742 . . . . 0.0 110.053 177.734 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -147.67 168.95 20.74 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.093 0.957 . . . . 0.0 111.671 -172.523 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 4.4 t -76.74 34.99 0.15 Allowed 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.16 1.384 . . . . 0.0 112.633 176.335 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.33 139.35 37.12 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 126.812 2.045 . . . . 0.0 112.258 -169.352 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -134.94 154.57 36.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 C-N-CA 126.807 2.043 . . . . 0.0 109.089 -177.787 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -112.45 148.82 33.57 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 127.926 2.49 . . . . 0.0 109.829 -176.723 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.615 HG13 ' HB3' ' A' ' 113' ' ' ALA . 2.9 p -144.98 140.23 22.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-O 121.609 0.719 . . . . 0.0 111.321 169.152 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -154.65 -177.86 28.42 Favored Glycine 0 N--CA 1.474 1.231 0 N-CA-C 116.29 1.276 . . . . 0.0 116.29 175.458 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 25.3 m120 48.14 62.24 2.6 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.688 1.595 . . . . 0.0 112.127 -173.925 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.3 pp -114.42 -16.0 12.01 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 116.178 1.918 . . . . 0.0 116.178 -169.507 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 114.34 -171.52 13.8 Favored Glycine 0 N--CA 1.48 1.582 0 CA-C-N 120.823 1.647 . . . . 0.0 115.805 174.726 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -78.65 45.37 0.58 Allowed 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 126.966 2.106 . . . . 0.0 112.502 -179.947 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 63.0 t-20 -150.02 158.42 44.15 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 127.39 2.276 . . . . 0.0 108.49 -169.608 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 163.08 -141.04 6.87 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 120.629 -1.294 . . . . 0.0 116.302 -170.203 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 61.3 t30 66.27 -41.72 0.37 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 130.487 3.515 . . . . 0.0 114.248 -169.59 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.277 20.3 pttp 150.39 -32.77 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.068 1 C-N-CA 131.86 4.064 . . . . 0.0 114.44 168.457 . . . . . . . . 3 2 . 1 . 025 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 54.5 m -40.2 -58.43 1.48 Allowed 'General case' 0 N--CA 1.483 1.225 0 N-CA-C 115.438 1.644 . . . . 0.0 115.438 -169.192 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.91 -56.54 12.67 Favored 'General case' 0 C--O 1.235 0.318 0 O-C-N 122.068 -0.395 . . . . 0.0 110.628 -178.242 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.404 HD12 ' N ' ' A' ' 91' ' ' GLU . 3.4 pp -65.42 -28.68 69.42 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -174.218 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.404 ' N ' HD12 ' A' ' 90' ' ' LEU . 38.2 tt0 -64.59 -47.94 76.8 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 126.346 1.858 . . . . 0.0 111.116 175.896 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.78 -31.95 71.33 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 119.398 0.999 . . . . 0.0 112.525 170.695 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.59 -45.45 94.06 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 118.827 0.74 . . . . 0.0 112.158 176.059 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.476 ' CZ ' HG11 ' A' ' 115' ' ' VAL . 11.2 m-85 -64.49 -64.81 0.78 Allowed 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 125.961 1.704 . . . . 0.0 110.984 173.617 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -54.08 -22.31 20.52 Favored Glycine 0 CA--C 1.546 2.006 0 N-CA-C 116.178 1.231 . . . . 0.0 116.178 -179.447 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -56.58 -50.72 71.1 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.583 1.553 . . . . 0.0 113.257 169.021 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.551 ' CE2' HD22 ' A' ' 130' ' ' LEU . 88.9 m-85 -63.91 -38.14 90.0 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 118.97 0.805 . . . . 0.0 109.997 175.511 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 176.05 165.45 31.89 Favored Glycine 0 N--CA 1.471 1.012 0 CA-C-O 118.863 -0.965 . . . . 0.0 113.982 168.871 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -61.04 126.06 18.61 Favored 'Trans proline' 0 N--CA 1.459 -0.516 0 CA-C-N 120.565 2.183 . . . . 0.0 114.483 -169.006 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 23.5 mt -63.17 161.12 14.1 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 126.532 1.933 . . . . 0.0 113.067 171.113 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.7 ttm180 -110.8 -35.96 5.83 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.541 1.536 . . . . 0.0 110.743 169.043 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.6 m -168.98 161.06 10.46 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 126.148 1.779 . . . . 0.0 111.216 171.191 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 60.4 t -142.06 141.89 28.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 125.35 1.46 . . . . 0.0 109.305 177.303 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 72.0 t90 -140.66 142.68 34.92 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.716 1.607 . . . . 0.0 110.372 179.112 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.514 HG12 ' HB1' ' A' ' 113' ' ' ALA . 0.9 OUTLIER -142.29 146.77 22.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 169.28 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -57.08 152.61 13.0 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 -178.63 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -76.24 -37.45 57.65 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.162 0.985 . . . . 0.0 109.957 169.5 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -64.95 156.13 81.19 Favored Pre-proline 0 CA--C 1.552 1.027 0 C-N-CA 124.305 1.042 . . . . 0.0 108.611 167.249 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 0.8 OUTLIER -24.17 97.14 0.01 OUTLIER 'Trans proline' 0 CA--C 1.551 1.348 1 C-N-CA 126.44 4.76 . . . . 0.0 117.037 -169.538 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -57.5 15.81 0.03 OUTLIER 'Trans proline' 0 CA--C 1.545 1.04 1 C-N-CA 126.882 5.055 . . . . 0.0 119.415 -173.02 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -69.54 12.81 1.3 Allowed Glycine 0 CA--C 1.54 1.639 0 C-N-CA 125.93 1.729 . . . . 0.0 114.877 178.321 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -157.17 143.17 17.78 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 129.752 3.221 . . . . 0.0 106.89 -171.028 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.615 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -163.21 171.5 16.16 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 124.049 0.94 . . . . 0.0 112.887 -169.576 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -135.95 157.46 46.79 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.698 1.199 . . . . 0.0 112.647 176.942 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.476 HG11 ' CZ ' ' A' ' 94' ' ' PHE . 1.1 p -156.61 154.72 5.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 124.389 1.075 . . . . 0.0 111.763 -170.515 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -143.79 150.36 38.44 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 125.425 1.49 . . . . 0.0 110.082 168.11 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -121.0 160.72 22.95 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.977 1.311 . . . . 0.0 111.854 -172.807 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -81.21 -21.69 39.38 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 120.921 -1.112 . . . . 0.0 113.33 -175.83 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -125.91 125.05 24.82 Favored Pre-proline 0 CA--C 1.545 0.784 0 C-N-CA 126.285 1.834 . . . . 0.0 107.915 170.486 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -49.26 -28.88 15.83 Favored 'Trans proline' 0 CA--C 1.535 0.561 0 C-N-CA 123.705 2.936 . . . . 0.0 114.413 171.771 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.12 -26.08 62.86 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.169 0.987 . . . . 0.0 113.168 174.165 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -67.76 -45.8 73.88 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 119.796 1.18 . . . . 0.0 110.273 169.72 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.78 -34.88 78.18 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 118.462 -0.78 . . . . 0.0 112.002 172.941 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.54 -45.27 76.16 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 120.06 1.3 . . . . 0.0 112.914 174.307 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -54.21 -46.09 72.4 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.191 0.596 . . . . 0.0 110.445 170.532 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.411 ' HB1' HD23 ' A' ' 130' ' ' LEU . . . -64.87 -51.01 64.32 Favored 'General case' 0 CA--C 1.549 0.941 0 O-C-N 121.577 -0.702 . . . . 0.0 111.672 176.699 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 24.2 t -56.95 -18.15 6.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 O-C-N 119.748 -1.845 . . . . 0.0 114.222 178.186 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.72 -2.91 11.79 Favored 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 116.026 1.862 . . . . 0.0 116.026 173.009 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -132.56 -1.53 3.47 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.163 1.385 . . . . 0.0 114.543 -176.142 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.551 HD22 ' CE2' ' A' ' 97' ' ' TYR . 8.6 tp -126.31 -6.31 6.52 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 128.092 2.557 . . . . 0.0 111.409 -177.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -86.93 133.84 33.56 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 127.456 2.302 . . . . 0.0 112.937 179.024 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 53.44 37.66 56.22 Favored Glycine 0 CA--C 1.537 1.443 0 O-C-N 120.463 -1.398 . . . . 0.0 113.856 179.295 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 27.0 mmt-85 -111.66 -17.18 13.07 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 115.047 1.499 . . . . 0.0 115.047 -169.634 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 97.0 m 63.19 131.4 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 127.498 2.319 . . . . 0.0 110.713 -168.27 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 18.8 tp -150.23 -78.98 0.13 Allowed 'General case' 0 N--CA 1.472 0.625 0 O-C-N 121.316 -0.865 . . . . 0.0 111.627 -169.587 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 12.3 m -69.08 -21.41 64.07 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 123.756 0.823 . . . . 0.0 111.33 178.781 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 158.56 -21.54 0.33 Allowed Glycine 0 CA--C 1.536 1.402 0 C-N-CA 125.396 1.474 . . . . 0.0 116.237 169.864 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 11.9 t -106.33 -90.02 0.43 Allowed 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 118.639 1.219 . . . . 0.0 113.055 -169.757 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -141.94 -29.94 0.59 Allowed 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 116.931 2.197 . . . . 0.0 116.931 -170.361 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . 0.291 3.3 m 45.72 74.21 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 129.798 3.239 . . . . 0.0 115.996 -171.395 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -65.36 134.84 54.4 Favored 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 105.748 -1.945 . . . . 0.0 105.748 166.275 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 81.2 t -141.08 129.04 22.74 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 CA-C-N 119.754 1.161 . . . . 0.0 108.631 -176.289 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -144.39 171.7 13.97 Favored 'General case' 0 N--CA 1.483 1.193 0 CA-C-N 119.011 0.823 . . . . 0.0 111.38 -172.067 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 8.9 tt -73.22 135.86 44.6 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 119.828 -1.795 . . . . 0.0 108.656 168.253 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 24.5 t -80.77 142.39 33.82 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -172.954 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -50.81 -26.13 5.31 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 116.18 1.919 . . . . 0.0 116.18 -177.789 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 170.11 -170.24 42.75 Favored Glycine 0 CA--C 1.529 0.928 0 C-N-CA 124.295 0.95 . . . . 0.0 112.942 178.572 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -166.31 166.14 16.88 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.733 1.613 . . . . 0.0 111.122 170.232 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.56 143.88 42.98 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.634 1.173 . . . . 0.0 111.798 172.561 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 33.7 mmt180 . . . . . 0 C--O 1.246 0.896 0 C-N-CA 127.491 2.316 . . . . 0.0 110.463 -171.257 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 151' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.802 1 C3'-C2'-C1' 105.189 4.099 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 152' ' ' ' A' . . . . . 0.475 " H4'" ' C5 ' ' B' ' 153' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.537 2.106 2 O4'-C1'-N19 114.879 6.679 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 153' ' ' ' U' . . . . . 0.475 ' C5 ' " H4'" ' B' ' 152' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.544 2.616 3 C2'-C3'-O3' 124.298 4.749 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 025 nuclear nobuild full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.107 3 O4'-C1'-N19 117.064 8.864 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.5 mmm . . . . . 0 N--CA 1.485 1.303 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -85.68 143.07 28.59 Favored 'General case' 0 CA--C 1.546 0.813 0 O-C-N 120.552 -1.343 . . . . 0.0 111.76 177.875 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -127.06 153.56 45.81 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 127.425 2.29 . . . . 0.0 108.951 -179.792 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -103.68 161.26 14.06 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.492 1.117 . . . . 0.0 111.177 178.343 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.482 HD11 ' CD2' ' A' ' 7' ' ' LEU . 0.8 OUTLIER -144.96 135.8 24.66 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 126.641 1.976 . . . . 0.0 110.118 175.052 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mp -114.49 109.77 29.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 126.309 1.843 . . . . 0.0 109.505 172.325 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.482 ' CD2' HD11 ' A' ' 5' ' ' LEU . 88.0 mt -78.77 79.22 5.19 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 124.473 1.109 . . . . 0.0 108.162 168.91 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 22.3 m-20 -63.1 49.72 0.02 OUTLIER 'General case' 0 CA--C 1.56 1.353 0 C-N-CA 125.469 1.507 . . . . 0.0 111.952 168.607 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.26 73.65 2.07 Favored Glycine 0 C--N 1.334 0.467 0 O-C-N 119.465 -2.022 . . . . 0.0 111.572 -172.967 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.415 ' HE2' HG23 ' A' ' 11' ' ' THR . 7.4 ttpm? 25.52 -84.58 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 129.649 3.18 . . . . 0.0 115.429 172.29 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.415 HG23 ' HE2' ' A' ' 10' ' ' LYS . 0.6 OUTLIER -75.18 -32.48 61.26 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 126.637 1.975 . . . . 0.0 113.099 -171.432 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.2 pp -109.8 -37.02 5.76 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 114.686 1.365 . . . . 0.0 114.686 -168.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 12.91 145.74 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.965 1 C-N-CA 133.881 4.872 . . . . 0.0 121.527 -168.761 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.83 -161.98 18.68 Favored Glycine 0 CA--C 1.531 1.078 0 N-CA-C 117.562 1.785 . . . . 0.0 117.562 169.763 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -156.46 157.02 34.77 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.632 1.573 . . . . 0.0 112.843 -179.626 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.9 t -159.98 -172.03 3.47 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 126.168 1.787 . . . . 0.0 109.521 178.047 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 64.3 p -138.55 169.42 17.81 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 126.086 1.755 . . . . 0.0 110.733 176.715 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.643 HG21 ' CG1' ' A' ' 29' ' ' VAL . 3.0 t -153.46 151.87 30.36 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.404 1.082 . . . . 0.0 110.593 177.483 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.9 tp10 -84.02 115.98 22.61 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 169.241 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.76 177.01 8.19 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.198 1.399 . . . . 0.0 113.653 179.823 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 97.7 t -79.33 -49.17 20.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 O-C-N 120.842 -1.161 . . . . 0.0 110.61 169.323 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 t70 178.49 -157.7 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 131.52 3.928 . . . . 0.0 105.821 179.729 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.98 -18.87 1.53 Allowed 'General case' 0 CA--C 1.546 0.824 0 CA-C-N 121.376 1.898 . . . . 0.0 114.667 170.859 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.27 -10.41 42.08 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.451 1.1 . . . . 0.0 113.488 172.999 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 46.4 m -140.06 -32.41 0.61 Allowed 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.269 1.827 . . . . 0.0 112.542 178.682 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.423 ' HA ' HG12 ' A' ' 29' ' ' VAL . . . -68.4 -36.13 78.67 Favored 'General case' 0 CA--C 1.546 0.799 0 O-C-N 120.838 -1.164 . . . . 0.0 110.632 174.868 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -76.41 5.17 7.59 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 114.656 1.354 . . . . 0.0 114.656 178.449 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.19 18.33 3.42 Favored 'General case' 0 N--CA 1.466 0.351 0 O-C-N 120.307 -1.495 . . . . 0.0 111.738 173.561 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.643 ' CG1' HG21 ' A' ' 18' ' ' THR . 3.1 p -120.47 -41.75 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 C-N-CA 124.377 1.071 . . . . 0.0 112.195 177.287 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.441 ' CZ ' HG22 ' A' ' 18' ' ' THR . 25.8 m-85 -68.78 -26.02 65.0 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 123.99 0.916 . . . . 0.0 113.11 173.296 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -54.97 -29.95 58.04 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.261 1.424 . . . . 0.0 112.959 175.123 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -80.25 -53.18 6.89 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 123.993 0.917 . . . . 0.0 110.283 177.033 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -57.0 -43.04 81.36 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.471 1.109 . . . . 0.0 112.327 178.878 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.79 -53.3 58.37 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 124.075 0.95 . . . . 0.0 111.541 175.751 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -69.86 -16.1 63.2 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.128 0.971 . . . . 0.0 113.504 177.261 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -78.19 -31.44 49.51 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 120.191 1.36 . . . . 0.0 112.299 170.831 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -77.95 -37.32 47.78 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 168.0 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 123.23 -11.35 8.62 Favored Glycine 0 CA--C 1.539 1.551 1 C-N-CA 130.727 4.013 . . . . 0.0 113.896 172.549 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.5 t -62.11 148.07 10.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 CA-C-N 118.834 1.317 . . . . 0.0 111.986 -177.389 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -163.96 61.04 0.16 Allowed 'General case' 0 CA--C 1.551 0.999 0 CA-C-O 122.517 1.151 . . . . 0.0 113.407 169.458 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -88.29 -150.98 21.9 Favored Glycine 0 CA--C 1.543 1.802 0 C-N-CA 126.342 1.925 . . . . 0.0 116.295 -176.742 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -71.94 94.7 1.48 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.848 1.659 . . . . 0.0 111.809 175.804 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -64.22 128.98 38.13 Favored 'General case' 0 N--CA 1.465 0.308 0 O-C-N 120.617 -1.302 . . . . 0.0 110.342 -179.384 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.69 162.63 32.21 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 126.529 1.932 . . . . 0.0 110.373 -170.931 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -154.39 167.86 28.57 Favored 'General case' 0 CA--C 1.543 0.712 0 C-N-CA 124.201 1.0 . . . . 0.0 111.834 -178.841 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -144.24 161.48 38.8 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.39 1.876 . . . . 0.0 110.523 -177.767 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.406 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.3 OUTLIER -129.68 -1.68 4.83 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 179.446 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.52 -28.43 33.98 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 121.521 -0.737 . . . . 0.0 110.664 170.273 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.6 p -135.23 -13.04 2.11 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.719 1.608 . . . . 0.0 113.203 -172.369 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.406 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 1.1 mmpt? 63.65 47.31 3.75 Favored 'General case' 0 C--N 1.347 0.489 0 C-N-CA 125.848 1.659 . . . . 0.0 112.425 178.544 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 89.6 m -117.09 110.86 18.73 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.81 1.244 . . . . 0.0 111.615 -173.931 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -64.62 160.62 19.32 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.043 0.937 . . . . 0.0 110.959 168.623 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 32.4 m -147.19 161.54 40.7 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 125.216 1.406 . . . . 0.0 107.963 170.498 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.426 ' CG1' HD23 ' A' ' 7' ' ' LEU . 12.6 p -151.06 93.58 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 C-N-CA 124.752 1.221 . . . . 0.0 110.629 172.309 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 50.0 m -85.59 116.1 23.68 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 121.625 -0.672 . . . . 0.0 110.884 -178.45 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -72.94 47.22 0.18 Allowed 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.237 1.415 . . . . 0.0 114.101 179.039 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.3 -17.02 37.21 Favored Glycine 0 CA--C 1.54 1.598 0 C-N-CA 125.007 1.289 . . . . 0.0 113.215 169.489 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.7 p -62.73 -12.21 22.45 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.962 2.105 . . . . 0.0 114.2 169.155 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . 0.275 0.1 OUTLIER 57.36 -13.85 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 130.52 3.528 . . . . 0.0 119.747 172.172 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 48.3 m80 -70.26 3.07 3.1 Favored 'General case' 0 CA--C 1.553 1.072 0 N-CA-C 115.594 1.702 . . . . 0.0 115.594 -177.459 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 73.63 -44.98 0.59 Allowed 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 129.183 2.993 . . . . 0.0 115.459 173.63 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.2 p-80 -147.51 131.93 17.62 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 114.395 1.257 . . . . 0.0 114.395 -174.487 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 39.2 m-70 61.43 151.26 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 128.944 2.897 . . . . 0.0 116.1 175.617 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -152.91 161.89 41.99 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.478 1.511 . . . . 0.0 110.389 175.637 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 9.7 tpt 61.6 4.61 1.06 Allowed 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 126.235 1.814 . . . . 0.0 113.638 -169.293 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 36.2 m80 -151.11 159.15 44.66 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 129.093 2.957 . . . . 0.0 108.194 -176.625 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.8 tpp180 -144.41 67.38 1.26 Allowed 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 175.803 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -71.77 -30.79 65.94 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.728 1.211 . . . . 0.0 114.0 170.216 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 81.2 p -160.72 162.63 32.58 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.625 1.17 . . . . 0.0 113.097 -173.284 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -150.11 165.85 16.54 Favored Pre-proline 0 CA--C 1.548 0.892 0 C-N-CA 126.358 1.863 . . . . 0.0 111.007 173.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -65.4 155.54 68.17 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 122.574 2.183 . . . . 0.0 112.107 179.63 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 38.1 mt -118.86 12.15 12.81 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.019 1.328 . . . . 0.0 112.364 -171.329 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -157.86 -39.64 0.07 Allowed 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.386 1.475 . . . . 0.0 113.708 -168.407 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 8.9 t -66.58 -23.03 66.14 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.058 1.343 . . . . 0.0 113.444 -175.919 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.4 ttmm -166.99 128.95 1.68 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 128.379 2.672 . . . . 0.0 109.482 168.156 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.463 HG22 HG22 ' A' ' 115' ' ' VAL . 2.0 m -118.23 150.95 20.32 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 C-N-CA 127.848 2.459 . . . . 0.0 108.204 176.212 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -98.15 151.75 20.07 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 124.993 1.317 . . . . 0.0 110.131 178.002 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -155.51 151.11 10.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 122.065 0.936 . . . . 0.0 112.049 175.609 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -150.28 134.48 4.81 Favored Glycine 0 CA--C 1.528 0.892 0 N-CA-C 110.129 -1.189 . . . . 0.0 110.129 168.487 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -146.69 151.21 36.85 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 118.096 0.948 . . . . 0.0 112.877 -169.772 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.6 tp 60.26 -37.01 0.08 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 129.473 3.109 . . . . 0.0 115.861 -177.671 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 70.5 165.18 5.52 Favored Glycine 0 CA--C 1.538 1.496 0 C-N-CA 126.612 2.053 . . . . 0.0 113.097 -169.483 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 18.3 m120 57.06 -8.53 0.03 OUTLIER 'General case' 0 CA--C 1.557 1.219 0 C-N-CA 127.712 2.405 . . . . 0.0 117.465 -178.32 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -157.18 162.46 39.32 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.13 1.372 . . . . 0.0 112.35 171.266 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -140.53 127.49 3.49 Favored Glycine 0 N--CA 1.472 1.049 0 C-N-CA 125.947 1.737 . . . . 0.0 112.044 -176.997 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -149.54 134.97 18.38 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.88 1.272 . . . . 0.0 109.857 170.618 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.29 -22.67 64.72 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 115.508 1.669 . . . . 0.0 115.508 -177.704 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 26.7 m -52.36 -56.46 14.76 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 114.992 1.479 . . . . 0.0 114.992 -169.182 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -75.86 -43.69 44.42 Favored 'General case' 0 C--N 1.345 0.375 0 CA-C-N 119.579 1.081 . . . . 0.0 110.541 -176.966 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.2 pp -60.78 -35.53 76.68 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 120.158 1.345 . . . . 0.0 112.334 178.769 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -60.28 -50.04 75.23 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 121.139 -0.976 . . . . 0.0 112.163 173.212 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.38 -34.69 78.91 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 119.555 1.07 . . . . 0.0 112.279 173.513 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.86 -43.32 83.89 Favored 'General case' 0 C--O 1.223 -0.311 0 C-N-CA 124.159 0.984 . . . . 0.0 111.427 -177.443 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.464 ' CD2' HG11 ' A' ' 115' ' ' VAL . 15.8 m-85 -67.75 -62.62 1.33 Allowed 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 124.562 1.145 . . . . 0.0 111.422 173.557 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.03 -17.91 45.98 Favored Glycine 0 CA--C 1.545 1.964 0 N-CA-C 115.817 1.087 . . . . 0.0 115.817 -178.543 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -54.82 -50.06 69.5 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 119.143 1.471 . . . . 0.0 112.182 168.446 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -65.59 -43.17 90.53 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.601 0.76 . . . . 0.0 110.281 175.027 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 179.01 159.13 22.71 Favored Glycine 0 N--CA 1.476 1.303 0 CA-C-O 118.483 -1.176 . . . . 0.0 114.787 169.205 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -51.31 128.04 24.18 Favored 'Trans proline' 0 C--O 1.235 0.363 0 C-N-CA 122.895 2.396 . . . . 0.0 116.06 -169.288 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.558 HD13 ' CG2' ' A' ' 103' ' ' VAL . 15.1 mt -68.43 152.81 44.88 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 113.676 -1.602 . . . . 0.0 111.492 169.808 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -98.04 -29.8 13.06 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.827 1.651 . . . . 0.0 111.525 169.909 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.6 m -169.97 163.33 9.43 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 126.075 1.75 . . . . 0.0 111.11 169.245 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.558 ' CG2' HD13 ' A' ' 100' ' ' LEU . 62.4 t -139.9 140.6 35.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 125.794 1.637 . . . . 0.0 109.442 179.204 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 86.3 t90 -145.62 140.25 27.21 Favored 'General case' 0 N--CA 1.461 0.116 0 C-N-CA 125.335 1.454 . . . . 0.0 111.31 179.831 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -144.32 150.49 16.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 168.203 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.415 ' HB1' " H1'" ' B' ' 153' ' ' ' U' . . . -59.19 128.85 39.21 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.907 -0.495 . . . . 0.0 111.528 175.415 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 2.2 tpm_? -75.58 -27.26 58.49 Favored 'General case' 0 N--CA 1.48 1.028 0 O-C-N 121.853 -0.529 . . . . 0.0 111.36 175.581 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -62.47 146.94 92.97 Favored Pre-proline 0 CA--C 1.559 1.313 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 167.39 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_exo -47.7 -32.02 15.76 Favored 'Trans proline' 0 CA--C 1.548 1.179 0 N-CA-C 119.616 2.891 . . . . 0.0 119.616 -170.729 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_exo -46.26 103.83 0.06 OUTLIER 'Trans proline' 0 CA--C 1.544 0.981 0 C-N-CA 124.345 3.364 . . . . 0.0 115.799 173.774 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -67.81 53.07 0.36 Allowed Glycine 0 N--CA 1.473 1.119 1 C-N-CA 130.823 4.059 . . . . 0.0 115.344 178.624 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -124.08 151.95 43.26 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 127.98 2.512 . . . . 0.0 106.811 178.576 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -158.18 175.12 14.18 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 115.404 1.631 . . . . 0.0 115.404 -166.02 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -145.4 149.04 34.02 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.534 0.734 . . . . 0.0 111.403 170.794 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.464 HG11 ' CD2' ' A' ' 94' ' ' PHE . 28.4 m -138.68 172.25 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 O-C-N 120.802 -1.186 . . . . 0.0 112.235 172.294 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -148.14 153.0 38.25 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 124.162 0.985 . . . . 0.0 110.143 169.63 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -122.52 153.5 39.11 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.711 1.204 . . . . 0.0 112.244 -169.59 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -72.76 -17.25 61.61 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 178.631 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -146.14 126.77 7.17 Favored Pre-proline 0 CA--C 1.555 1.163 0 C-N-CA 124.477 1.111 . . . . 0.0 112.504 -173.947 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -53.41 -36.02 77.71 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 124.5 3.466 . . . . 0.0 115.41 174.864 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 23.3 ttp-105 -57.13 -48.15 79.36 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 119.235 0.925 . . . . 0.0 110.432 174.721 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -77.09 -34.84 56.84 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 119.099 -0.477 . . . . 0.0 111.275 -173.902 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.18 -45.35 93.41 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.57 0.748 . . . . 0.0 111.648 169.833 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.44 -46.09 74.13 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.708 0.803 . . . . 0.0 111.807 179.834 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -68.44 -33.2 73.78 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.654 0.661 . . . . 0.0 112.261 178.511 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.87 -57.14 13.93 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.303 0.641 . . . . 0.0 110.029 169.914 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 41.1 t -50.72 -42.83 23.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 124.396 1.078 . . . . 0.0 112.444 174.329 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 53.3 ttp85 -61.75 -31.98 72.19 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 126.115 1.766 . . . . 0.0 113.314 179.264 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -109.78 -10.56 14.78 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 124.694 1.198 . . . . 0.0 114.133 -176.215 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 53.0 mt -100.57 -34.08 10.05 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.447 1.499 . . . . 0.0 114.16 -176.863 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -67.79 142.73 56.11 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 -172.486 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 69.9 -24.73 0.41 Allowed Glycine 0 CA--C 1.538 1.497 0 N-CA-C 119.848 2.699 . . . . 0.0 119.848 169.099 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -71.88 -81.08 0.06 Allowed 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.53 1.532 . . . . 0.0 114.439 -169.323 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.8 m -179.72 141.99 0.16 Allowed 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 130.11 3.364 . . . . 0.0 107.591 -174.808 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -159.3 136.21 9.51 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 177.239 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 17.5 t 68.44 -44.59 0.51 Allowed 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 127.184 2.194 . . . . 0.0 110.731 -167.086 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 162.53 12.13 0.03 OUTLIER Glycine 0 CA--C 1.532 1.095 0 N-CA-C 117.498 1.759 . . . . 0.0 117.498 168.658 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 6.4 t -157.33 -168.37 2.58 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.377 1.588 . . . . 0.0 108.738 -176.687 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 3.9 ptt180 -30.79 118.35 0.18 Allowed 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 128.548 2.739 . . . . 0.0 113.957 175.615 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 9.1 p -129.29 148.36 33.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 C-N-CA 125.824 1.65 . . . . 0.0 110.138 171.951 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -149.26 140.31 22.97 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 126.373 1.869 . . . . 0.0 108.985 172.515 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 58.9 t -146.32 125.65 5.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -170.026 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -135.32 -179.16 5.46 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 119.307 0.958 . . . . 0.0 110.927 -173.695 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -97.84 137.04 37.3 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 120.874 -1.141 . . . . 0.0 108.288 169.825 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 84.7 p -65.03 157.67 27.77 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 -169.462 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 2.2 t30 59.58 30.31 19.93 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 124.961 1.304 . . . . 0.0 113.686 169.662 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -68.33 -3.33 31.24 Favored Glycine 0 CA--C 1.541 1.69 0 O-C-N 121.038 -1.038 . . . . 0.0 115.346 179.812 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -135.4 -30.53 1.02 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.126 1.77 . . . . 0.0 114.857 -170.617 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -67.93 140.97 56.47 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 171.075 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.908 0 C-N-CA 123.707 0.803 . . . . 0.0 110.973 -169.882 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 151' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.648 1 C3'-C2'-C1' 106.264 5.293 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 152' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.063 2 C4'-C3'-C2' 96.693 -6.007 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 153' ' ' ' U' . . . . . 0.415 " H1'" ' HB1' ' A' ' 106' ' ' ALA . . . . . . . . 0 C5'--C4' 1.552 3.193 3 N19-C1'-C2' 126.411 8.132 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.712 2 O4'-C1'-N19 117.882 9.682 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.4 tpt . . . . . 0 N--CA 1.482 1.13 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -85.18 142.19 29.63 Favored 'General case' 0 CA--C 1.548 0.882 0 O-C-N 120.604 -1.31 . . . . 0.0 111.75 179.273 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -127.21 154.98 44.15 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 127.503 2.321 . . . . 0.0 109.27 -179.015 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -105.85 162.75 13.28 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 124.857 1.263 . . . . 0.0 111.679 -179.753 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.531 HD22 ' N ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -149.21 131.59 15.64 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 126.511 1.925 . . . . 0.0 110.966 176.159 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.531 ' N ' HD22 ' A' ' 5' ' ' LEU . 1.5 mp -110.18 120.47 61.23 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.247 0 C-N-CA 126.257 1.823 . . . . 0.0 111.217 175.375 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.436 ' CD2' ' HA ' ' A' ' 34' ' ' ALA . 3.0 mp -97.67 60.92 1.58 Allowed 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 126.947 2.099 . . . . 0.0 111.588 -178.648 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -65.17 72.44 0.04 OUTLIER 'General case' 0 CA--C 1.551 1.018 0 O-C-N 121.084 -1.01 . . . . 0.0 113.153 174.873 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.2 22.32 7.27 Favored Glycine 0 N--CA 1.471 1.015 0 O-C-N 119.844 -1.785 . . . . 0.0 116.112 -175.905 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . 0.26 17.3 pttm 53.47 -61.26 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 130.63 3.572 . . . . 0.0 118.158 -176.571 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 36.2 m -70.93 -27.23 63.61 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.702 1.601 . . . . 0.0 110.565 176.353 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -133.31 169.75 16.45 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 128.653 2.781 . . . . 0.0 108.259 168.846 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.25 160.21 39.58 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 123.989 0.916 . . . . 0.0 112.299 169.492 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -168.76 -167.96 30.14 Favored Glycine 0 CA--C 1.532 1.134 0 N-CA-C 116.274 1.269 . . . . 0.0 116.274 169.626 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -159.54 153.76 23.66 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.966 1.706 . . . . 0.0 112.157 174.36 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.3 t -153.6 -172.18 4.14 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.138 1.375 . . . . 0.0 109.603 175.486 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.1 p -141.55 172.79 12.2 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.588 1.555 . . . . 0.0 110.501 176.154 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.64 HG21 ' CG1' ' A' ' 29' ' ' VAL . 4.5 t -158.03 148.67 20.68 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 121.222 -0.924 . . . . 0.0 111.106 178.658 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.2 tp10 -77.02 120.57 22.31 Favored 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 107.3 -1.37 . . . . 0.0 107.3 167.548 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.39 175.97 9.11 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.26 1.424 . . . . 0.0 113.087 175.671 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.7 t -78.94 -47.8 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 O-C-N 120.939 -1.101 . . . . 0.0 110.227 169.035 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 t70 178.53 -156.94 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 131.251 3.821 . . . . 0.0 105.86 178.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.77 -19.69 1.78 Allowed 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 121.158 1.799 . . . . 0.0 114.581 170.693 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.83 -9.84 32.48 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.42 1.088 . . . . 0.0 113.745 172.753 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 44.6 m -140.27 -32.41 0.6 Allowed 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.917 1.687 . . . . 0.0 112.582 178.127 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.435 ' HA ' HG12 ' A' ' 29' ' ' VAL . . . -67.51 -37.29 82.57 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 120.852 -1.155 . . . . 0.0 110.402 174.707 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -76.23 5.03 7.53 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 178.254 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.13 18.65 3.43 Favored 'General case' 0 N--CA 1.468 0.425 0 O-C-N 120.291 -1.506 . . . . 0.0 111.874 173.336 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.64 ' CG1' HG21 ' A' ' 18' ' ' THR . 3.1 p -121.27 -41.69 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 C-N-CA 124.423 1.089 . . . . 0.0 112.27 176.662 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.483 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.8 m-85 -68.24 -27.05 66.02 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 124.662 1.185 . . . . 0.0 112.991 173.281 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -54.7 -32.7 59.88 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.925 1.29 . . . . 0.0 112.985 175.764 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -81.03 -48.8 11.72 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.686 0.795 . . . . 0.0 110.829 179.651 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -63.4 -40.46 97.28 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.431 1.092 . . . . 0.0 111.982 179.408 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.436 ' HA ' ' CD2' ' A' ' 7' ' ' LEU . . . -63.3 -45.17 92.62 Favored 'General case' 0 N--CA 1.452 -0.353 0 O-C-N 121.237 -0.914 . . . . 0.0 112.32 178.16 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -67.07 -18.98 65.58 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.777 1.029 . . . . 0.0 113.777 173.312 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -80.42 -31.01 37.7 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.615 1.098 . . . . 0.0 112.943 173.202 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -75.44 -36.31 60.75 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 167.938 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 110.97 0.71 28.6 Favored Glycine 0 N--CA 1.436 -1.34 0 C-N-CA 128.72 3.057 . . . . 0.0 113.916 177.08 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.7 t -77.29 144.03 12.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-N 118.627 1.214 . . . . 0.0 110.605 177.307 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -160.1 50.8 0.31 Allowed 'General case' 0 CA--C 1.553 1.067 0 CA-C-O 122.545 1.164 . . . . 0.0 113.169 170.3 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.22 -145.52 4.64 Favored Glycine 0 CA--C 1.541 1.666 0 C-N-CA 126.493 1.997 . . . . 0.0 116.482 177.767 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -64.66 94.08 0.12 Allowed 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.926 1.69 . . . . 0.0 112.345 -177.507 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 79.4 m95 -64.81 108.25 1.69 Allowed 'General case' 0 N--CA 1.466 0.326 0 O-C-N 120.166 -1.584 . . . . 0.0 109.907 178.052 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -123.53 163.42 20.98 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 126.675 1.99 . . . . 0.0 110.716 -172.41 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -154.21 166.55 32.76 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.207 1.003 . . . . 0.0 112.069 -178.939 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -144.0 162.51 36.02 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.445 1.898 . . . . 0.0 110.592 -177.44 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -130.18 -2.36 4.51 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 179.319 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.54 -28.71 37.23 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 121.621 -0.674 . . . . 0.0 110.512 170.063 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.7 p -135.4 -12.76 2.08 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 125.678 1.591 . . . . 0.0 113.212 -172.173 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? 63.82 46.72 3.84 Favored 'General case' 0 C--N 1.347 0.469 0 C-N-CA 125.821 1.648 . . . . 0.0 112.518 178.03 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 92.7 m -117.55 111.7 19.58 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.863 1.265 . . . . 0.0 111.863 -172.77 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -65.52 162.04 18.9 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.198 0.999 . . . . 0.0 110.669 168.463 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 22.1 m -147.75 159.68 43.54 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.298 1.439 . . . . 0.0 108.118 169.84 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.273 9.5 p -149.13 56.55 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 125.325 1.45 . . . . 0.0 111.815 -178.23 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.4 m -63.98 111.59 2.58 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.835 1.254 . . . . 0.0 112.62 -177.653 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -75.64 63.1 1.53 Allowed 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.225 1.41 . . . . 0.0 112.48 176.346 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 44.92 65.67 1.72 Allowed Glycine 0 CA--C 1.531 1.049 0 C-N-CA 125.985 1.755 . . . . 0.0 113.988 176.088 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.4 t -63.74 26.61 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 128.134 2.574 . . . . 0.0 117.227 -169.743 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 22.8 m80 -71.59 38.28 0.06 Allowed 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 128.061 2.544 . . . . 0.0 112.934 171.593 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -62.65 94.68 0.07 Allowed 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.437 1.495 . . . . 0.0 111.966 -175.002 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -57.46 147.26 26.97 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.905 0.882 . . . . 0.0 111.745 173.409 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -159.63 156.23 27.54 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.366 1.866 . . . . 0.0 110.039 173.527 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -156.57 174.0 16.1 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.783 0.833 . . . . 0.0 111.537 171.686 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -136.53 159.99 40.13 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.136 1.374 . . . . 0.0 110.626 171.123 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 90.6 mmm -144.57 160.52 41.01 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.8 1.64 . . . . 0.0 110.821 -179.452 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -146.72 173.54 12.27 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.652 1.581 . . . . 0.0 111.71 179.372 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -137.02 179.91 6.09 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.95 1.7 . . . . 0.0 112.299 176.712 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -138.73 175.7 9.33 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.605 1.962 . . . . 0.0 111.906 -173.333 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.3 m -149.78 47.2 0.94 Allowed 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.986 1.314 . . . . 0.0 110.785 169.643 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 54.0 t -145.56 -57.06 0.02 OUTLIER Pre-proline 0 CA--C 1.55 0.967 0 N-CA-C 114.751 1.389 . . . . 0.0 114.751 -176.786 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -70.58 31.58 0.21 Allowed 'Trans proline' 0 CA--C 1.553 1.462 0 C-N-CA 124.406 3.404 . . . . 0.0 114.432 171.299 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 96.0 mt -137.78 125.45 22.3 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 127.186 2.194 . . . . 0.0 109.746 -179.019 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -77.2 141.36 40.12 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.223 0.609 . . . . 0.0 112.567 -177.403 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 56.3 m -69.19 -19.3 63.98 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.744 1.218 . . . . 0.0 114.186 178.417 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 44.5 tptt -86.44 126.5 34.45 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.379 1.472 . . . . 0.0 107.496 168.795 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -134.72 139.36 47.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 CA-C-O 123.017 1.389 . . . . 0.0 110.96 -172.682 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.458 ' CZ ' H5'' ' B' ' 151' ' ' ' C' . 13.1 t80 -83.87 152.18 24.7 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 127.732 2.413 . . . . 0.0 110.283 176.674 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.498 HG13 ' HB3' ' A' ' 113' ' ' ALA . 0.8 OUTLIER -152.9 149.24 13.58 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.181 0 N-CA-C 115.0 1.481 . . . . 0.0 115.0 176.624 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -147.36 142.51 10.31 Favored Glycine 0 CA--C 1.535 1.337 0 C-N-CA 125.871 1.7 . . . . 0.0 110.537 168.049 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -150.61 162.21 41.1 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 118.168 0.984 . . . . 0.0 113.206 -172.729 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 51.3 tp 56.31 -62.21 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 130.078 3.351 . . . . 0.0 117.149 170.189 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 173.91 -48.37 0.15 Allowed Glycine 0 N--CA 1.472 1.087 0 C-N-CA 126.63 2.062 . . . . 0.0 110.31 -179.034 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -150.73 146.35 26.37 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.126 1.77 . . . . 0.0 109.392 168.512 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -164.07 116.6 1.39 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.709 1.203 . . . . 0.0 111.017 -178.188 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -132.94 34.88 2.39 Favored Glycine 0 CA--C 1.531 1.076 0 C-N-CA 124.706 1.146 . . . . 0.0 111.921 169.813 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -122.92 -9.31 8.29 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.209 1.404 . . . . 0.0 112.691 -173.858 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.342 0.0 OUTLIER 50.29 1.43 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 119.399 3.111 . . . . 0.0 119.399 173.237 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 4.4 m -58.78 -52.28 66.39 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.205 1.402 . . . . 0.0 111.521 172.723 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.06 -55.57 33.29 Favored 'General case' 0 C--N 1.34 0.185 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 178.378 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.7 mt -48.45 -59.81 3.18 Favored 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 124.706 1.202 . . . . 0.0 110.492 -178.466 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -59.61 -42.52 92.8 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 123.678 0.791 . . . . 0.0 112.099 -171.114 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.69 -35.41 65.17 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 118.56 -0.733 . . . . 0.0 112.712 174.058 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -67.54 -44.73 77.63 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 119.483 1.038 . . . . 0.0 111.629 -176.886 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.633 ' CE2' HG11 ' A' ' 115' ' ' VAL . 17.5 m-85 -69.12 -61.68 1.69 Allowed 'General case' 0 CA--C 1.509 -0.622 0 C-N-CA 125.886 1.674 . . . . 0.0 111.895 173.821 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -64.52 -13.1 54.42 Favored Glycine 0 CA--C 1.547 2.072 0 CA-C-O 118.964 -0.909 . . . . 0.0 114.445 -176.161 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -56.82 -49.88 74.06 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 119.175 1.487 . . . . 0.0 110.977 167.046 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -63.74 -46.91 83.2 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.706 0.802 . . . . 0.0 109.627 172.546 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 176.21 154.57 11.8 Favored Glycine 0 CA--C 1.534 1.261 0 N-CA-C 115.427 0.931 . . . . 0.0 115.427 169.201 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -48.43 124.53 10.83 Favored 'Trans proline' 0 CA--C 1.535 0.537 0 C-N-CA 124.371 3.381 . . . . 0.0 115.903 -169.646 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 33.6 mt -67.1 152.75 45.2 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.706 1.603 . . . . 0.0 112.474 169.932 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -79.41 -39.18 33.06 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 166.632 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.2 p -173.8 168.54 4.29 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 126.136 1.774 . . . . 0.0 113.078 168.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 2.7 p -128.04 145.18 35.63 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 126.019 1.728 . . . . 0.0 110.17 171.22 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 87.9 t90 -133.97 143.26 48.06 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 126.66 1.984 . . . . 0.0 110.232 -179.497 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 12.5 m -143.47 152.72 16.43 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 124.23 1.012 . . . . 0.0 109.491 174.96 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -68.56 152.57 45.19 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-O 122.521 1.153 . . . . 0.0 114.049 -174.323 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 25.3 ttp-105 -52.2 -29.24 21.56 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 129.494 3.117 . . . . 0.0 116.906 -170.005 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -135.43 129.66 18.73 Favored Pre-proline 0 CA--C 1.547 0.828 0 CA-C-O 116.475 -1.726 . . . . 0.0 109.524 -172.739 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_exo -22.63 84.03 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 1 C-N-CA 127.929 5.753 . . . . 0.0 117.003 -169.454 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -92.94 171.66 2.17 Favored 'Trans proline' 0 N--CA 1.457 -0.65 0 C-N-CA 123.628 2.885 . . . . 0.0 112.996 -168.898 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -97.11 12.44 65.44 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 124.638 1.113 . . . . 0.0 113.979 175.749 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -162.29 -178.5 6.37 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 125.542 1.537 . . . . 0.0 112.59 -170.422 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.498 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -171.14 175.94 4.13 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 126.186 1.794 . . . . 0.0 111.902 -169.121 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -144.5 150.02 36.89 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.175 -0.953 . . . . 0.0 113.033 173.414 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.633 HG11 ' CE2' ' A' ' 94' ' ' PHE . 29.7 m -144.71 168.42 9.74 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 N-CA-C 115.156 1.539 . . . . 0.0 115.156 -178.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -146.96 130.61 16.9 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.233 1.413 . . . . 0.0 110.975 177.184 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.401 ' CZ ' ' HB3' ' A' ' 94' ' ' PHE . 83.8 m-85 -104.31 -20.85 13.63 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.05 1.34 . . . . 0.0 113.365 175.331 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 57.28 -13.51 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 128.103 2.561 . . . . 0.0 117.042 -169.757 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -100.42 132.28 22.7 Favored Pre-proline 0 CA--C 1.547 0.856 0 C-N-CA 125.732 1.613 . . . . 0.0 110.125 169.795 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -77.58 -24.64 8.76 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 122.342 2.028 . . . . 0.0 114.329 -173.145 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.61 -37.6 30.87 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 121.019 1.736 . . . . 0.0 111.156 175.883 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -55.36 -53.02 61.44 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 123.137 0.575 . . . . 0.0 109.554 172.018 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.92 -41.0 95.92 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 118.395 -0.812 . . . . 0.0 112.785 176.263 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -58.83 -45.63 89.55 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 120.614 1.552 . . . . 0.0 112.947 177.762 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -64.9 -39.45 93.55 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-O 121.885 0.85 . . . . 0.0 110.816 175.2 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -80.36 8.22 8.0 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.465 1.906 . . . . 0.0 114.52 177.232 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 13.0 t -123.09 -24.02 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 125.96 1.704 . . . . 0.0 111.248 173.187 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.79 -1.13 12.12 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 116.158 1.91 . . . . 0.0 116.158 -176.145 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -126.76 -34.67 2.38 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.966 0.907 . . . . 0.0 110.819 168.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.43 ' CD2' ' CD1' ' A' ' 94' ' ' PHE . 13.6 tp -70.53 14.88 0.11 Allowed 'General case' 0 CA--C 1.557 1.214 0 C-N-CA 126.116 1.766 . . . . 0.0 114.372 170.466 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -130.88 139.62 50.13 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 120.026 -1.671 . . . . 0.0 112.59 -169.8 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 68.93 -19.64 0.42 Allowed Glycine 0 CA--C 1.541 1.662 0 C-N-CA 127.351 2.405 . . . . 0.0 118.166 175.077 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . 0.279 2.0 ppt_? -89.3 -34.09 16.7 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 118.994 2.961 . . . . 0.0 118.994 -168.287 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.443 ' H ' HG12 ' A' ' 140' ' ' VAL . 2.5 m 145.54 152.28 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 131.33 3.852 . . . . 0.0 109.437 -177.505 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 135' ' ' LEU 0.258 13.4 tp -130.63 -96.02 0.36 Allowed 'General case' 0 N--CA 1.486 1.342 0 CA-C-N 119.958 1.254 . . . . 0.0 112.949 169.011 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 36.4 t -56.96 -39.17 74.08 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-N 121.339 1.881 . . . . 0.0 111.744 172.297 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 162.55 31.4 0.02 OUTLIER Glycine 0 CA--C 1.535 1.284 0 N-CA-C 115.387 0.915 . . . . 0.0 115.387 172.138 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 19.9 t -160.9 -161.72 0.86 Allowed 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 105.372 -2.084 . . . . 0.0 105.372 -176.224 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 15.0 ptt180 -41.43 141.79 0.67 Allowed 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.206 1.402 . . . . 0.0 114.688 179.811 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.443 HG12 ' H ' ' A' ' 134' ' ' THR . 5.1 p -141.22 132.09 27.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 C-N-CA 125.521 1.528 . . . . 0.0 107.006 166.607 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.61 104.07 3.58 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 -172.281 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 99.1 t -137.04 129.38 43.79 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 123.707 0.803 . . . . 0.0 109.805 -168.001 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -147.65 150.53 34.55 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 119.505 1.048 . . . . 0.0 111.68 -171.317 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.06 152.97 43.51 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 120.264 1.393 . . . . 0.0 111.466 172.76 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 67.9 m -61.96 99.71 0.13 Allowed 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 114.795 1.406 . . . . 0.0 114.795 -169.496 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -93.21 48.14 1.3 Allowed 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 126.109 1.764 . . . . 0.0 107.514 168.718 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -167.17 -133.89 1.61 Allowed Glycine 0 CA--C 1.535 1.329 0 C-N-CA 127.335 2.397 . . . . 0.0 110.703 -169.466 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -93.64 170.54 9.5 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.48 1.112 . . . . 0.0 112.698 -178.936 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -152.3 158.86 43.37 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.13 0.972 . . . . 0.0 113.294 170.29 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.163 0 C-N-CA 128.235 2.614 . . . . 0.0 110.162 -176.539 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 151' ' ' ' C' . . . . . 0.458 H5'' ' CZ ' ' A' ' 77' ' ' TYR . . . . . . . . 0 C5'--C4' 1.551 3.139 1 C3'-C2'-C1' 105.521 4.468 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 152' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.521 1 P-O3'-C3' 124.576 4.064 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.501 2 O5'-C5'-C4' 119.213 6.438 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 154' ' ' ' C' . . . . . 0.429 H5'' ' C6 ' ' B' ' 154' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.547 2.811 2 O4'-C1'-N19 113.126 4.926 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.2 mpp? . . . . . 0 N--CA 1.485 1.298 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.16 144.43 31.65 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 120.727 -1.233 . . . . 0.0 111.933 177.079 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.431 ' CZ ' ' HA ' ' A' ' 22' ' ' ASP . 86.4 m-85 -126.0 155.04 42.06 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 127.698 2.399 . . . . 0.0 109.04 175.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -107.14 161.76 14.47 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.925 1.29 . . . . 0.0 111.461 -179.666 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.691 HD22 ' HB3' ' A' ' 30' ' ' PHE . 17.5 tp -142.47 140.55 31.93 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 126.746 2.018 . . . . 0.0 110.56 173.045 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.6 mp -120.9 113.92 41.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 125.241 1.416 . . . . 0.0 110.47 174.851 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.402 ' HA ' HG13 ' A' ' 54' ' ' VAL . 3.6 mp -86.85 67.75 9.91 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 127.721 2.408 . . . . 0.0 109.215 178.55 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 -63.47 56.15 0.02 OUTLIER 'General case' 0 CA--C 1.561 1.4 0 C-N-CA 126.563 1.945 . . . . 0.0 114.313 -179.45 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -94.75 133.92 11.77 Favored Glycine 0 N--CA 1.469 0.871 0 O-C-N 119.615 -1.928 . . . . 0.0 115.047 -179.667 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -31.03 -49.22 0.13 Allowed 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 129.049 2.939 . . . . 0.0 118.253 -171.412 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.7 p -127.31 5.75 6.35 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.323 1.449 . . . . 0.0 113.598 -169.348 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -143.64 -2.08 0.97 Allowed 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 115.358 1.614 . . . . 0.0 115.358 -171.342 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.4 148.29 0.09 Allowed 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 117.243 2.312 . . . . 0.0 117.243 -168.758 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -168.87 -157.42 11.52 Favored Glycine 0 CA--C 1.527 0.83 0 N-CA-C 116.661 1.424 . . . . 0.0 116.661 169.679 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -143.49 162.67 35.2 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.082 1.353 . . . . 0.0 111.716 -174.202 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.8 t -158.13 -177.55 6.64 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.469 1.508 . . . . 0.0 110.551 169.758 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 72.4 p -142.39 168.22 20.26 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 125.658 1.583 . . . . 0.0 110.503 173.382 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.6 HG21 ' CG1' ' A' ' 29' ' ' VAL . 5.2 t -153.36 149.37 27.76 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.336 1.054 . . . . 0.0 110.99 175.81 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.6 tp10 -78.51 118.98 21.16 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 167.614 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -138.95 176.05 9.03 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.002 1.321 . . . . 0.0 113.45 177.723 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 62.1 t -79.33 -48.0 21.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 O-C-N 121.2 -0.938 . . . . 0.0 110.25 169.19 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.431 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 5.2 t70 178.47 -157.3 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 131.17 3.788 . . . . 0.0 105.973 178.888 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.79 -20.26 1.22 Allowed 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 121.189 1.813 . . . . 0.0 114.306 169.821 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.75 -8.34 20.65 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.502 1.121 . . . . 0.0 113.685 172.654 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 36.9 m -140.56 -35.41 0.49 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.112 1.765 . . . . 0.0 112.441 177.341 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.403 ' HA ' HG12 ' A' ' 29' ' ' VAL . . . -68.6 -36.87 79.26 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.416 1.486 . . . . 0.0 111.052 176.407 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -76.74 6.97 5.15 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 114.527 1.306 . . . . 0.0 114.527 179.376 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.19 13.96 3.87 Favored 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 124.972 1.309 . . . . 0.0 111.997 174.957 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.6 ' CG1' HG21 ' A' ' 18' ' ' THR . 3.2 p -120.09 -42.31 2.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 124.292 1.037 . . . . 0.0 112.545 179.745 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.691 ' HB3' HD22 ' A' ' 5' ' ' LEU . 22.1 m-85 -64.57 -27.54 69.02 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.15 0.58 . . . . 0.0 112.053 169.7 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -62.13 -3.46 1.29 Allowed 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.435 1.494 . . . . 0.0 115.029 176.034 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -107.0 -52.68 2.73 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.114 0.966 . . . . 0.0 109.093 169.645 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -61.66 -44.87 96.14 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 123.254 0.622 . . . . 0.0 112.303 -176.09 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.31 -52.9 63.5 Favored 'General case' 0 N--CA 1.456 -0.171 0 O-C-N 121.464 -0.772 . . . . 0.0 110.979 175.522 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.485 HD22 ' CE1' ' A' ' 62' ' ' HIS . 5.1 m120 -67.37 -18.79 65.28 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.081 1.752 . . . . 0.0 112.717 -177.12 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -84.43 -32.3 24.15 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.943 1.297 . . . . 0.0 112.055 173.967 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 66.4 m-80 -72.9 -33.82 66.25 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 168.037 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 122.35 -5.95 10.06 Favored Glycine 0 N--CA 1.439 -1.136 0 C-N-CA 128.612 3.006 . . . . 0.0 113.894 171.943 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.408 HG11 HG13 ' A' ' 54' ' ' VAL . 37.6 t -69.1 148.48 11.59 Favored 'Isoleucine or valine' 0 C--N 1.342 0.251 0 CA-C-N 118.7 1.25 . . . . 0.0 112.005 175.364 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -163.43 34.35 0.09 Allowed 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 114.577 -1.192 . . . . 0.0 111.632 173.59 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -57.5 -159.17 0.02 OUTLIER Glycine 0 CA--C 1.541 1.704 0 C-N-CA 127.461 2.458 . . . . 0.0 117.976 179.732 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -65.33 88.62 0.08 Allowed 'General case' 0 CA--C 1.547 0.853 0 O-C-N 121.23 -1.159 . . . . 0.0 111.648 172.664 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 84.2 m95 -59.25 117.42 4.75 Favored 'General case' 0 C--O 1.235 0.294 0 O-C-N 120.492 -1.38 . . . . 0.0 110.024 179.926 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.01 163.07 28.4 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 126.689 1.996 . . . . 0.0 110.608 -171.848 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -153.04 164.7 37.51 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.39 1.076 . . . . 0.0 111.408 179.624 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -141.31 152.6 44.58 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.639 1.975 . . . . 0.0 110.0 -174.302 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.452 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -124.64 4.53 8.22 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 114.785 1.402 . . . . 0.0 114.785 -177.338 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -92.09 -29.87 16.31 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.862 1.265 . . . . 0.0 110.573 169.547 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -130.37 -7.83 4.22 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 -176.206 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.452 ' HE3' ' HA ' ' A' ' 47' ' ' ASP . 1.6 mmpt? 61.03 45.77 8.95 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.063 1.745 . . . . 0.0 112.681 179.232 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 63.5 m -120.47 111.84 18.22 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.912 0.885 . . . . 0.0 111.368 -172.507 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -63.9 158.13 22.99 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 122.068 0.937 . . . . 0.0 111.104 169.003 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 27.0 m -145.13 160.61 41.15 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 125.334 1.454 . . . . 0.0 107.496 170.406 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.408 HG13 HG11 ' A' ' 39' ' ' VAL 0.252 7.2 p -156.23 70.14 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 CA-C-O 122.728 1.251 . . . . 0.0 109.662 -177.071 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 62.9 m -68.64 112.8 5.63 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.569 1.147 . . . . 0.0 111.274 -175.35 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -113.74 85.88 2.29 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 127.367 2.267 . . . . 0.0 111.703 -168.326 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -158.71 -42.84 0.02 OUTLIER Glycine 0 CA--C 1.536 1.391 0 C-N-CA 128.286 2.851 . . . . 0.0 109.021 172.188 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.1 p -62.79 -44.16 96.91 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 127.627 2.371 . . . . 0.0 112.384 168.679 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -124.26 61.65 1.12 Allowed 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 127.447 2.299 . . . . 0.0 108.757 170.563 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.29 145.08 33.23 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.283 0.846 . . . . 0.0 113.283 179.1 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 37.5 m80 61.9 143.27 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 130.251 3.42 . . . . 0.0 117.256 176.739 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.485 ' CE1' HD22 ' A' ' 35' ' ' ASN . 9.0 t60 -67.52 -52.9 33.52 Favored 'General case' 0 N--CA 1.466 0.355 0 O-C-N 121.422 -0.799 . . . . 0.0 111.651 171.341 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -173.08 -66.75 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.052 1.341 . . . . 0.0 110.869 172.55 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 58.81 -46.08 0.06 Allowed 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 130.178 3.391 . . . . 0.0 116.844 -179.917 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 9.9 tpt -161.74 -43.71 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 126.43 1.892 . . . . 0.0 111.282 174.741 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 45.0 t-80 -155.83 125.62 6.45 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.301 1.84 . . . . 0.0 108.596 178.915 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 33.2 ttm105 -79.75 80.48 6.14 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 121.432 -0.793 . . . . 0.0 112.813 -172.822 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -134.82 -177.67 4.73 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.688 1.595 . . . . 0.0 111.645 169.84 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.2 m -58.39 -24.65 60.61 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 114.576 1.324 . . . . 0.0 114.576 -178.815 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 37.5 t -148.85 87.95 5.32 Favored Pre-proline 0 CA--C 1.554 1.101 0 C-N-CA 125.807 1.643 . . . . 0.0 110.05 176.996 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -50.01 -2.99 0.05 OUTLIER 'Trans proline' 0 CA--C 1.543 0.972 1 C-N-CA 127.275 5.317 . . . . 0.0 119.861 -172.917 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 24.1 tp -70.95 54.48 0.17 Allowed 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 126.724 2.01 . . . . 0.0 112.171 171.479 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -63.28 156.3 25.99 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.669 1.588 . . . . 0.0 113.452 -178.188 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 18.8 t -118.82 -9.11 10.21 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.138 1.775 . . . . 0.0 112.685 -178.996 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.497 ' HZ3' ' N6 ' ' B' ' 152' ' ' ' A' . 10.0 mtmp? -62.09 147.81 46.24 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 122.825 1.297 . . . . 0.0 111.739 174.718 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 74.1 t -119.2 126.81 75.69 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 C-N-CA 128.177 2.591 . . . . 0.0 108.426 -169.531 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -79.03 152.18 31.06 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 123.444 0.698 . . . . 0.0 110.134 176.68 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.467 HG13 ' HB3' ' A' ' 113' ' ' ALA . 0.2 OUTLIER -154.17 154.21 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 122.192 0.996 . . . . 0.0 112.862 170.125 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -153.56 138.12 6.12 Favored Glycine 0 CA--C 1.53 0.995 0 C-N-CA 126.474 1.987 . . . . 0.0 109.989 168.859 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.416 ' HA ' HG12 ' A' ' 140' ' ' VAL . 47.2 t30 -130.47 141.6 50.51 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 118.5 1.15 . . . . 0.0 111.859 -169.316 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.7 tt 56.93 -52.31 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 130.784 3.634 . . . . 0.0 114.379 -172.442 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 172.14 -52.75 0.17 Allowed Glycine 0 CA--C 1.53 0.986 0 C-N-CA 128.976 3.179 . . . . 0.0 108.619 172.364 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -144.66 84.53 1.74 Allowed 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.524 1.53 . . . . 0.0 111.441 173.683 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -130.26 -5.08 4.34 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 116.406 2.002 . . . . 0.0 116.406 173.551 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 7.75 75.91 0.01 OUTLIER Glycine 0 N--CA 1.482 1.744 0 C-N-CA 128.749 3.071 . . . . 0.0 117.801 171.611 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -143.01 129.9 20.53 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.934 1.294 . . . . 0.0 110.028 176.596 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.94 -30.19 69.43 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 115.451 1.648 . . . . 0.0 115.451 -171.762 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 7.9 m -58.08 -52.39 65.73 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 119.869 1.213 . . . . 0.0 112.36 -171.782 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.93 -58.98 6.14 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 -177.641 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.9 pp -65.76 -32.65 74.31 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 118.91 -0.567 . . . . 0.0 111.432 -173.109 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -57.33 -49.35 76.41 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 119.528 1.058 . . . . 0.0 111.948 173.821 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.09 -33.61 73.8 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 119.105 0.866 . . . . 0.0 112.272 173.839 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.32 -38.31 89.77 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.54 0.736 . . . . 0.0 112.203 -179.289 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.498 ' CD2' HG11 ' A' ' 115' ' ' VAL . 14.9 m-85 -76.56 -62.35 1.66 Allowed 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 125.36 1.464 . . . . 0.0 111.412 175.949 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -52.2 -22.62 10.43 Favored Glycine 0 CA--C 1.547 2.081 0 N-CA-C 115.692 1.037 . . . . 0.0 115.692 177.287 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -51.83 -51.61 55.29 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.314 1.445 . . . . 0.0 112.956 168.29 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -69.89 -43.85 70.94 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.951 0.901 . . . . 0.0 111.18 179.482 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -170.95 162.74 35.71 Favored Glycine 0 N--CA 1.478 1.494 0 CA-C-O 118.343 -1.254 . . . . 0.0 113.259 175.248 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -67.35 132.71 28.22 Favored 'Trans proline' 0 CA--C 1.534 0.498 0 CA-C-N 121.552 2.676 . . . . 0.0 113.794 -169.534 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.402 HD13 ' CG2' ' A' ' 103' ' ' VAL . 16.5 mt -69.49 166.38 18.95 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.057 1.743 . . . . 0.0 113.051 175.089 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -130.15 -23.74 2.68 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 127.093 2.157 . . . . 0.0 112.495 175.596 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 11.2 t -157.21 151.65 25.21 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.05 1.34 . . . . 0.0 111.015 169.474 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.402 ' CG2' HD13 ' A' ' 100' ' ' LEU . 80.1 t -143.91 132.13 18.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 125.341 1.456 . . . . 0.0 109.302 173.395 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 53.7 t90 -144.56 153.17 41.54 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 126.598 1.959 . . . . 0.0 111.303 178.741 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.427 ' HA ' ' HA ' ' A' ' 113' ' ' ALA . 2.9 m -139.16 149.57 23.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 O-C-N 121.045 -1.034 . . . . 0.0 112.108 169.934 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -81.11 78.28 7.93 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.656 0.782 . . . . 0.0 112.956 -173.38 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.55 -45.63 0.38 Allowed 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 129.666 3.186 . . . . 0.0 116.548 174.466 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . 0.25 28.9 t-20 143.23 -59.82 0.0 OUTLIER Pre-proline 0 CA--C 1.549 0.914 1 C-N-CA 132.228 4.211 . . . . 0.0 111.974 173.965 . . . . . . . . 3 2 . 1 . 028 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_endo -57.39 -41.12 75.88 Favored 'Trans proline' 0 CA--C 1.548 1.194 0 C-N-CA 122.619 2.213 . . . . 0.0 115.852 -179.41 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_exo -52.73 -18.67 9.26 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 124.119 3.213 . . . . 0.0 115.912 169.52 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 81.71 -40.39 2.62 Favored Glycine 0 CA--C 1.527 0.828 0 C-N-CA 125.661 1.601 . . . . 0.0 115.969 169.515 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -77.39 171.45 14.86 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-O 123.055 1.407 . . . . 0.0 113.945 -179.375 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.467 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -153.63 173.41 15.82 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 127.906 2.483 . . . . 0.0 112.625 -172.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -145.0 147.71 32.94 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.705 0.802 . . . . 0.0 112.579 170.598 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.498 HG11 ' CD2' ' A' ' 94' ' ' PHE . 14.4 m -137.18 179.63 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 C-N-CA 124.626 1.171 . . . . 0.0 112.269 176.468 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -152.69 150.49 29.51 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.415 1.486 . . . . 0.0 109.078 169.854 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.447 ' CZ ' ' HB3' ' A' ' 94' ' ' PHE . 47.1 m-85 -117.46 166.64 12.1 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.42 1.088 . . . . 0.0 112.93 -176.372 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -53.31 -35.08 59.77 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.831 1.252 . . . . 0.0 112.469 172.078 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -151.98 135.4 9.43 Favored Pre-proline 0 CA--C 1.549 0.936 0 C-N-CA 124.977 1.311 . . . . 0.0 110.421 -171.637 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -47.71 -29.08 10.38 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 125.042 3.828 . . . . 0.0 115.336 170.21 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 11.2 ptt-85 -54.57 -38.98 67.32 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 119.702 1.137 . . . . 0.0 111.736 171.52 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -83.75 -41.72 17.32 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -172.562 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.97 -45.63 82.75 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.436 0.694 . . . . 0.0 112.184 169.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.31 -44.48 87.76 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.984 0.914 . . . . 0.0 112.795 178.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -74.15 -31.58 62.78 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.43 -0.794 . . . . 0.0 112.5 179.364 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.43 -55.94 25.72 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 169.246 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.416 HG22 HG12 ' A' ' 142' ' ' VAL . 35.3 t -48.26 -46.5 13.73 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 124.645 1.178 . . . . 0.0 112.053 171.552 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -51.21 -43.45 61.4 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.471 1.509 . . . . 0.0 112.597 179.429 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -113.65 2.9 15.42 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 115.641 1.719 . . . . 0.0 115.641 -176.946 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.45 ' HB3' HG21 ' A' ' 142' ' ' VAL . 42.7 mt -99.25 -38.3 8.93 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.448 1.499 . . . . 0.0 114.173 173.828 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -64.89 149.63 49.23 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 115.407 1.632 . . . . 0.0 115.407 -168.911 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 69.86 -56.49 0.76 Allowed Glycine 0 CA--C 1.535 1.339 0 C-N-CA 128.193 2.806 . . . . 0.0 118.278 169.218 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 46.6 mtm180 -62.13 -69.4 0.25 Allowed 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.167 1.787 . . . . 0.0 115.656 -167.794 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.2 m -175.6 147.65 0.84 Allowed 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 126.669 1.988 . . . . 0.0 109.008 -170.938 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 2.4 tt -140.67 -62.9 0.48 Allowed 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.216 1.006 . . . . 0.0 109.668 169.46 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 4.0 t -70.0 -44.08 70.09 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 119.199 0.909 . . . . 0.0 111.562 169.835 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 154.8 14.05 0.06 OUTLIER Glycine 0 CA--C 1.538 1.478 0 N-CA-C 116.434 1.334 . . . . 0.0 116.434 -176.998 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 8.9 t -150.45 174.12 13.28 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.744 1.618 . . . . 0.0 107.817 173.836 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.22 130.49 47.22 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.261 1.424 . . . . 0.0 111.514 -169.846 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.416 HG12 ' HA ' ' A' ' 80' ' ' ASN . 22.6 m -117.3 179.06 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 126.814 2.046 . . . . 0.0 112.543 -173.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -140.11 133.33 29.71 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 127.763 2.425 . . . . 0.0 108.226 173.419 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.45 HG21 ' HB3' ' A' ' 130' ' ' LEU . 58.4 t -147.47 122.47 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 169.212 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -148.66 -162.15 1.49 Allowed 'General case' 0 N--CA 1.476 0.831 0 O-C-N 121.221 -0.924 . . . . 0.0 111.595 -169.977 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 10.3 tp -118.37 146.3 44.5 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.156 1.383 . . . . 0.0 109.686 174.356 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 19.1 m -41.17 129.16 2.89 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.338 1.455 . . . . 0.0 114.853 -177.867 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -148.65 -9.82 0.35 Allowed 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 177.565 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -121.51 -169.42 13.66 Favored Glycine 0 CA--C 1.532 1.15 0 N-CA-C 118.046 1.978 . . . . 0.0 118.046 -168.946 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -167.81 -50.96 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 127.623 2.369 . . . . 0.0 110.939 -169.609 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 3.3 mmtm -140.85 18.42 2.32 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 129.098 2.959 . . . . 0.0 113.78 169.681 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.188 0 C-N-CA 126.345 1.858 . . . . 0.0 114.015 -175.29 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 151' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.026 2 O4'-C1'-N19 113.595 5.395 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 152' ' ' ' A' . . . . . 0.497 ' N6 ' ' HZ3' ' A' ' 75' ' ' LYS . . . . . . . . 0 O4'--C4' 1.419 -2.871 1 P-O3'-C3' 126.326 5.521 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.556 3.572 4 N19-C1'-C2' 125.828 7.768 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.557 3.645 4 O4'-C1'-N19 114.281 6.081 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 stop_ save_