data_4bmf_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 4bmf _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.541 0.623 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 34.1 p -80.44 105.03 11.39 Favored 'General case' 0 C--N 1.342 0.256 0 N-CA-C 105.923 -1.88 . . . . 0.0 105.923 159.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -74.24 137.49 43.05 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.789 1.236 . . . . 0.0 109.747 -164.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.8 t -68.43 171.14 7.77 Favored 'General case' 0 C--N 1.344 0.356 0 CA-C-O 122.694 1.235 . . . . 0.0 112.181 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -62.63 130.02 43.18 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 113.005 -1.907 . . . . 0.0 108.081 166.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 28.5 m-90 64.17 96.09 0.05 OUTLIER 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.432 1.493 . . . . 0.0 109.062 -166.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -167.62 119.22 0.83 Allowed Glycine 0 C--N 1.345 1.03 0 N-CA-C 110.447 -1.061 . . . . 0.0 110.447 -171.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -69.95 111.99 6.04 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.819 1.247 . . . . 0.0 110.909 -177.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.1 p -90.35 -47.42 7.76 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 164.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -38.97 -56.36 2.18 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 127.901 2.667 . . . . 0.0 116.431 -175.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -55.33 121.13 21.27 Favored Glycine 0 C--N 1.344 1.026 0 C-N-CA 125.186 1.374 . . . . 0.0 112.493 -168.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 65.0 mt -77.74 75.47 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 125.319 1.448 . . . . 0.0 107.448 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 171.1 -40.07 0.18 Allowed Glycine 0 N--CA 1.485 1.941 0 N-CA-C 110.274 -1.131 . . . . 0.0 110.274 -161.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -51.81 153.7 2.37 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 127.097 2.159 . . . . 0.0 113.297 -176.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.4 m -78.83 69.01 4.93 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.121 1.369 . . . . 0.0 111.838 -178.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 82.38 -66.61 3.86 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 124.802 1.192 . . . . 0.0 114.592 162.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.2 p -71.14 120.54 16.86 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.71 1.204 . . . . 0.0 113.835 -161.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.01 -27.56 11.08 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 127.041 2.136 . . . . 0.0 112.438 172.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 87.7 m -72.1 86.62 1.05 Allowed 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.537 1.535 . . . . 0.0 110.474 -171.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 69.4 m -50.81 142.09 12.08 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.638 1.975 . . . . 0.0 111.012 169.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.5 t -69.24 172.67 6.61 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.955 0.902 . . . . 0.0 110.682 -173.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 84.0 p -55.81 127.53 30.59 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.899 0.88 . . . . 0.0 111.544 -179.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.86 -36.8 4.06 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 125.109 1.338 . . . . 0.0 112.284 -171.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 70.4 p -106.27 139.29 41.01 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.403 1.481 . . . . 0.0 111.074 -174.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.8 p -127.51 153.49 46.28 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.71 2.004 . . . . 0.0 109.244 167.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 36.9 t -75.48 94.61 3.15 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.362 0.665 . . . . 0.0 110.302 -172.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -81.87 128.52 34.12 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 127.322 2.249 . . . . 0.0 110.818 -177.28 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -83.34 136.64 34.28 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 126.071 1.749 . . . . 0.0 110.839 -172.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.5 m -124.83 -69.12 0.81 Allowed 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.045 1.338 . . . . 0.0 107.69 165.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -103.22 169.01 8.81 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.928 1.691 . . . . 0.0 110.015 166.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -56.09 -52.73 63.24 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.611 1.565 . . . . 0.0 110.991 169.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -81.65 -24.5 36.29 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.998 1.319 . . . . 0.0 112.674 -177.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -112.73 85.66 2.21 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.695 1.198 . . . . 0.0 109.666 175.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.9 m -116.73 120.01 37.23 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.445 1.498 . . . . 0.0 107.346 166.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -121.92 141.77 50.96 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.542 1.537 . . . . 0.0 112.052 -164.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 73.1 m -62.01 118.36 7.19 Favored 'General case' 0 C--N 1.343 0.289 0 C-N-CA 125.358 1.463 . . . . 0.0 111.109 173.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.4 mt . . . . . 0 C--O 1.251 1.163 0 CA-C-O 116.957 -1.497 . . . . 0.0 109.972 -179.53 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.1 p . . . . . 0 CA--C 1.543 0.69 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 47.6 p -76.84 93.92 3.81 Favored 'General case' 0 C--N 1.344 0.331 0 N-CA-C 106.695 -1.594 . . . . 0.0 106.695 170.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -76.77 130.13 37.26 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 126.611 1.964 . . . . 0.0 109.346 -161.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.9 t -64.91 169.69 4.99 Favored 'General case' 0 C--N 1.343 0.308 0 CA-C-O 122.904 1.335 . . . . 0.0 111.668 -174.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -64.29 125.05 23.35 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 112.764 -2.016 . . . . 0.0 107.913 170.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 27.2 m-90 65.8 98.01 0.05 OUTLIER 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.683 1.193 . . . . 0.0 108.528 -165.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -177.4 118.32 0.63 Allowed Glycine 0 C--N 1.339 0.711 0 N-CA-C 106.933 -2.467 . . . . 0.0 106.933 -165.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -64.12 143.19 58.06 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 109.881 -0.415 . . . . 0.0 109.881 -170.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.5 p -143.45 18.03 1.87 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.135 1.774 . . . . 0.0 112.121 -173.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 174.28 140.22 3.2 Favored Glycine 0 CA--C 1.531 1.065 0 C-N-CA 125.015 1.293 . . . . 0.0 110.072 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 161.26 149.05 5.49 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 125.372 1.463 . . . . 0.0 111.125 -178.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 56.3 mt -82.62 66.51 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 C-N-CA 124.929 1.291 . . . . 0.0 107.742 177.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 172.38 -56.57 0.16 Allowed Glycine 0 N--CA 1.485 1.932 0 N-CA-C 109.501 -1.44 . . . . 0.0 109.501 -167.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -63.5 134.07 54.96 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.87 1.668 . . . . 0.0 111.503 -175.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.6 m -135.92 78.7 1.73 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.71 1.604 . . . . 0.0 108.214 177.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -163.45 -166.98 23.19 Favored Glycine 0 CA--C 1.532 1.148 0 C-N-CA 124.365 0.983 . . . . 0.0 111.756 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -56.91 122.75 12.99 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 114.919 1.452 . . . . 0.0 114.919 -177.456 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -79.97 -43.43 22.07 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.312 1.445 . . . . 0.0 111.731 163.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.6 m -59.08 92.53 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.803 2.041 . . . . 0.0 112.123 -172.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 58.9 m -59.78 151.82 24.45 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 127.634 2.374 . . . . 0.0 110.964 172.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.7 t -77.32 177.3 8.04 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 123.354 0.662 . . . . 0.0 110.604 -176.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 55.6 m -57.82 125.46 23.14 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.526 1.13 . . . . 0.0 110.793 178.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 99.59 -22.09 42.14 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 125.124 1.345 . . . . 0.0 113.755 -176.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 49.0 p -113.65 141.6 47.02 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 125.633 1.573 . . . . 0.0 110.741 -177.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 60.7 p -126.36 151.09 48.08 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.131 1.773 . . . . 0.0 109.057 173.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 41.8 t -69.45 106.8 3.09 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.262 0.625 . . . . 0.0 109.348 -178.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -104.9 175.73 5.39 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 126.844 2.057 . . . . 0.0 110.89 -178.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -132.26 136.22 46.8 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.279 1.432 . . . . 0.0 110.404 -168.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 71.9 m -116.67 -79.22 0.59 Allowed 'General case' 0 C--N 1.344 0.343 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 168.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -107.19 177.22 4.91 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.86 1.664 . . . . 0.0 111.455 167.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -64.57 -44.05 91.93 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.795 1.238 . . . . 0.0 112.832 -175.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -73.69 -29.44 62.29 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.403 1.081 . . . . 0.0 111.899 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -114.21 88.22 2.81 Favored 'General case' 0 C--N 1.344 0.364 0 C-N-CA 124.918 1.287 . . . . 0.0 110.306 -174.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.3 t -99.95 126.64 46.14 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 164.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -135.04 146.1 48.64 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.48 1.112 . . . . 0.0 112.305 -168.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 92.2 m -69.23 120.44 15.06 Favored 'General case' 0 C--N 1.343 0.321 0 C-N-CA 126.058 1.743 . . . . 0.0 111.487 175.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.6 mt . . . . . 0 C--O 1.251 1.165 0 C-N-CA 126.052 1.741 . . . . 0.0 109.719 -174.325 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.547 0.833 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 37.2 p -103.55 115.47 30.56 Favored 'General case' 0 C--N 1.342 0.264 0 N-CA-C 105.81 -1.922 . . . . 0.0 105.81 162.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.46 141.86 28.3 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 -169.693 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.2 t -65.95 -179.58 0.75 Allowed 'General case' 0 C--N 1.344 0.335 0 CA-C-O 122.829 1.299 . . . . 0.0 111.194 178.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -61.79 126.86 28.84 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 113.467 -1.697 . . . . 0.0 107.68 167.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 26.6 m-90 67.09 98.57 0.05 Allowed 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.603 1.561 . . . . 0.0 108.954 -164.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -174.89 123.67 0.96 Allowed Glycine 0 CA--C 1.528 0.855 0 N-CA-C 107.613 -2.195 . . . . 0.0 107.613 -175.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -61.36 152.14 30.3 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.729 0.811 . . . . 0.0 112.321 -171.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.4 p -138.76 -31.45 0.72 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.424 1.49 . . . . 0.0 111.815 177.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -76.1 -171.08 31.29 Favored Glycine 0 CA--C 1.536 1.367 0 N-CA-C 111.618 -0.593 . . . . 0.0 111.618 171.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 98.46 117.02 3.73 Favored Glycine 0 C--N 1.341 0.85 0 C-N-CA 124.392 0.996 . . . . 0.0 110.702 176.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 69.3 mt -77.31 83.03 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 C-N-CA 125.25 1.42 . . . . 0.0 107.538 178.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 115.27 36.62 1.19 Allowed Glycine 0 N--CA 1.483 1.809 0 C-N-CA 124.181 0.896 . . . . 0.0 111.343 -175.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -88.53 156.53 19.03 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.455 1.502 . . . . 0.0 110.456 174.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.9 m -73.32 87.8 1.52 Allowed 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.45 1.1 . . . . 0.0 108.034 174.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -83.48 60.92 4.83 Favored Glycine 0 CA--C 1.528 0.854 0 N-CA-C 116.231 1.252 . . . . 0.0 116.231 -146.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.3 p -79.5 78.27 6.04 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 123.568 0.747 . . . . 0.0 111.804 148.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.38 -21.15 64.72 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.077 1.351 . . . . 0.0 112.952 169.082 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 61.3 m -70.59 95.36 1.08 Allowed 'General case' 0 C--N 1.346 0.414 0 C-N-CA 125.663 1.585 . . . . 0.0 110.317 -173.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 57.4 m -61.51 149.49 38.68 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.006 1.722 . . . . 0.0 110.886 172.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.9 t -75.01 172.1 12.92 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 121.097 0.475 . . . . 0.0 110.397 -176.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.7 m -66.44 99.55 0.57 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.322 1.049 . . . . 0.0 109.477 175.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 138.24 -16.47 3.41 Favored Glycine 0 CA--C 1.537 1.444 0 C-N-CA 125.696 1.617 . . . . 0.0 112.92 -171.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 17.8 p -137.89 149.88 46.62 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.867 1.667 . . . . 0.0 111.431 -177.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 44.3 p -127.96 157.73 39.78 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.342 1.857 . . . . 0.0 110.27 167.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.3 t -74.47 97.83 3.19 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.456 1.502 . . . . 0.0 109.867 -173.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -92.66 135.34 34.18 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 126.852 2.061 . . . . 0.0 110.126 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -82.81 135.62 34.91 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.649 1.58 . . . . 0.0 110.547 -177.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 67.6 m -121.53 -74.49 0.61 Allowed 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.817 1.247 . . . . 0.0 107.88 168.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -103.06 167.98 9.48 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 126.199 1.8 . . . . 0.0 110.529 170.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -55.8 -53.56 55.25 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.846 1.658 . . . . 0.0 111.014 169.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -85.25 -27.19 26.21 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.844 1.257 . . . . 0.0 112.712 -175.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -115.03 103.44 10.9 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.065 0.946 . . . . 0.0 110.398 174.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.0 m -117.22 150.54 38.58 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.601 1.161 . . . . 0.0 108.81 162.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -140.09 147.7 40.65 Favored 'General case' 0 C--N 1.345 0.381 0 C-N-CA 123.607 0.763 . . . . 0.0 112.906 -167.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 89.6 m -73.53 110.89 8.16 Favored 'General case' 0 C--N 1.341 0.201 0 C-N-CA 126.392 1.877 . . . . 0.0 110.097 173.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.8 mt . . . . . 0 C--O 1.252 1.197 0 CA-C-O 116.537 -1.697 . . . . 0.0 110.803 -172.524 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.544 0.737 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 53.3 p -75.91 92.82 3.14 Favored 'General case' 0 C--N 1.344 0.362 0 N-CA-C 106.791 -1.559 . . . . 0.0 106.791 171.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -79.8 129.25 34.33 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 126.103 1.761 . . . . 0.0 109.364 -160.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.9 t -65.32 170.98 4.19 Favored 'General case' 0 C--N 1.343 0.316 0 CA-C-O 122.9 1.333 . . . . 0.0 111.76 -172.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 19.5 t-160 -63.44 124.69 21.97 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 112.823 -1.989 . . . . 0.0 107.725 170.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 26.9 m-90 67.72 99.29 0.05 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.987 1.315 . . . . 0.0 108.595 -165.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -179.06 117.03 0.55 Allowed Glycine 0 C--N 1.338 0.674 0 N-CA-C 107.109 -2.396 . . . . 0.0 107.109 -166.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -63.41 143.26 57.96 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 117.059 0.429 . . . . 0.0 109.881 -171.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 27.2 p -134.78 -40.44 0.77 Allowed 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 125.326 1.451 . . . . 0.0 110.602 -173.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -117.55 138.54 14.17 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 125.542 1.544 . . . . 0.0 109.95 175.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 161.7 136.8 2.06 Favored Glycine 0 CA--C 1.529 0.933 0 C-N-CA 124.452 1.025 . . . . 0.0 111.207 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 56.5 mt -83.23 67.83 0.53 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 C-N-CA 125.136 1.374 . . . . 0.0 108.031 179.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 177.38 -60.47 0.1 OUTLIER Glycine 0 N--CA 1.485 1.941 0 N-CA-C 108.481 -1.847 . . . . 0.0 108.481 -171.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -65.46 132.05 47.96 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.911 1.685 . . . . 0.0 110.209 175.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.7 m -135.05 76.47 1.63 Allowed 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.569 1.548 . . . . 0.0 108.048 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -158.5 -162.84 12.19 Favored Glycine 0 CA--C 1.53 1.023 0 C-N-CA 124.797 1.189 . . . . 0.0 111.589 -178.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -51.86 119.03 3.84 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 125.654 1.582 . . . . 0.0 114.718 -178.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.19 -29.05 18.49 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.06 1.744 . . . . 0.0 112.545 164.177 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 39.4 m -63.47 88.12 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.611 1.965 . . . . 0.0 111.28 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 59.1 m -59.02 150.59 24.3 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 127.37 2.268 . . . . 0.0 110.779 172.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.1 t -75.99 172.14 13.25 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.353 0.661 . . . . 0.0 110.308 -175.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 79.3 p -57.91 118.62 5.55 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.333 1.053 . . . . 0.0 110.623 176.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 112.66 -22.85 16.13 Favored Glycine 0 CA--C 1.536 1.356 0 C-N-CA 125.36 1.457 . . . . 0.0 113.436 -174.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 35.1 p -122.25 145.76 47.92 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 125.886 1.674 . . . . 0.0 111.312 -177.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 64.4 p -126.67 153.22 45.69 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.6 1.96 . . . . 0.0 108.952 172.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 39.2 t -68.44 111.3 4.59 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -109.85 176.61 5.0 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 126.395 1.878 . . . . 0.0 111.471 -176.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -116.03 134.12 55.3 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.086 1.754 . . . . 0.0 109.625 -177.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 68.9 m -123.25 -70.91 0.75 Allowed 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 165.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -104.08 167.94 9.44 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.4 1.48 . . . . 0.0 110.147 163.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -57.2 -53.95 52.33 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.698 1.599 . . . . 0.0 110.628 169.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -74.93 -31.07 61.43 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.603 1.161 . . . . 0.0 112.092 -179.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -112.6 84.23 1.95 Allowed 'General case' 0 C--N 1.345 0.398 0 C-N-CA 124.632 1.173 . . . . 0.0 109.745 178.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.9 m -108.82 125.1 51.61 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.943 1.697 . . . . 0.0 107.784 171.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -135.13 151.39 50.66 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.163 1.385 . . . . 0.0 112.302 -157.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 84.3 m -69.11 117.19 10.45 Favored 'General case' 0 C--N 1.343 0.318 0 C-N-CA 125.909 1.684 . . . . 0.0 111.276 175.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.7 mt . . . . . 0 C--O 1.251 1.175 0 C-N-CA 125.878 1.671 . . . . 0.0 110.323 -175.495 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.543 0.709 0 N-CA-C 112.905 0.706 . . . . 0.0 112.905 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 28.6 p -85.75 104.51 15.51 Favored 'General case' 0 C--N 1.342 0.26 0 N-CA-C 105.897 -1.89 . . . . 0.0 105.897 161.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -79.34 135.59 36.76 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.85 0.86 . . . . 0.0 109.916 -159.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.5 t -62.75 170.36 2.63 Favored 'General case' 0 C--N 1.345 0.399 0 CA-C-O 123.096 1.427 . . . . 0.0 111.995 177.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 17.8 t-160 -61.41 131.29 49.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 112.503 -2.135 . . . . 0.0 108.045 168.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 26.2 m-90 67.79 97.98 0.06 Allowed 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.853 1.261 . . . . 0.0 109.154 -169.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -176.47 114.05 0.46 Allowed Glycine 0 C--N 1.343 0.939 0 N-CA-C 109.556 -1.417 . . . . 0.0 109.556 -167.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -54.81 146.08 18.13 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.558 1.543 . . . . 0.0 111.339 179.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 10.4 p -142.45 -30.82 0.54 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.878 1.271 . . . . 0.0 112.384 -175.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -133.68 92.09 0.25 Allowed Glycine 0 C--N 1.343 0.955 0 C-N-CA 126.127 1.822 . . . . 0.0 109.559 -167.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -142.27 151.44 22.94 Favored Glycine 0 CA--C 1.528 0.906 0 C-N-CA 124.835 1.207 . . . . 0.0 111.533 174.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 80.9 mt -75.11 90.27 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 N-CA-C 106.678 -1.601 . . . . 0.0 106.678 176.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 127.99 -56.22 0.74 Allowed Glycine 0 N--CA 1.482 1.724 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 -169.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -65.93 135.14 54.35 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.341 1.056 . . . . 0.0 110.744 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 75.0 m -130.88 -85.8 0.51 Allowed 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 125.317 1.447 . . . . 0.0 107.602 173.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 52.04 -155.1 4.64 Favored Glycine 0 C--N 1.346 1.111 0 C-N-CA 125.015 1.293 . . . . 0.0 114.081 172.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.1 p -71.13 89.39 0.83 Allowed 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 125.259 1.424 . . . . 0.0 111.624 168.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.67 -32.5 71.17 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.5 1.12 . . . . 0.0 112.516 172.142 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 98.0 m -71.69 108.83 5.23 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 126.438 1.895 . . . . 0.0 110.69 -174.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.5 m -53.41 168.74 0.15 Allowed 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 126.028 1.731 . . . . 0.0 113.445 166.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.1 t -89.17 175.47 7.36 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.964 1.306 . . . . 0.0 109.657 167.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.4 m -59.9 138.43 57.82 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.241 1.016 . . . . 0.0 111.552 179.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.87 -37.91 3.28 Favored Glycine 0 CA--C 1.533 1.212 0 C-N-CA 124.919 1.247 . . . . 0.0 112.726 -174.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 40.7 p -101.27 134.67 43.96 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.03 1.732 . . . . 0.0 110.215 -178.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.6 p -128.18 135.21 49.41 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 125.894 1.677 . . . . 0.0 108.225 168.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 11.7 t -64.86 126.54 28.31 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 118.439 0.563 . . . . 0.0 112.419 -164.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -112.52 172.95 6.61 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 127.685 2.394 . . . . 0.0 110.836 -174.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -106.23 131.6 53.27 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.986 1.314 . . . . 0.0 109.975 -175.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 68.6 m -119.07 -74.72 0.6 Allowed 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 168.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -103.75 169.71 8.35 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.821 1.648 . . . . 0.0 110.567 170.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -56.39 -54.79 41.45 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.478 1.511 . . . . 0.0 110.618 169.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -74.68 -31.57 61.94 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.604 1.162 . . . . 0.0 111.85 -178.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -113.4 88.89 2.94 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.644 1.177 . . . . 0.0 109.684 -177.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.8 t -95.45 104.71 16.62 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 106.381 -1.711 . . . . 0.0 106.381 168.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -96.72 146.02 25.26 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.072 1.349 . . . . 0.0 112.613 -167.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 48.3 t -70.48 119.6 14.88 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.277 1.431 . . . . 0.0 110.552 174.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 97.1 mt . . . . . 0 C--O 1.251 1.151 0 CA-C-O 116.879 -1.534 . . . . 0.0 111.535 -171.828 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.544 0.735 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.5 p -77.39 97.35 4.9 Favored 'General case' 0 C--N 1.345 0.389 0 N-CA-C 106.557 -1.646 . . . . 0.0 106.557 169.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -74.7 129.26 37.39 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.592 1.157 . . . . 0.0 109.497 -159.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.1 t -59.78 167.23 2.21 Favored 'General case' 0 C--N 1.345 0.409 0 CA-C-O 122.901 1.334 . . . . 0.0 112.449 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 19.2 t-160 -62.8 127.51 31.58 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 112.773 -2.012 . . . . 0.0 108.118 169.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 28.3 m-90 66.1 98.44 0.05 OUTLIER 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.733 1.613 . . . . 0.0 108.71 -166.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -173.32 120.7 0.82 Allowed Glycine 0 C--N 1.34 0.778 0 N-CA-C 108.431 -1.867 . . . . 0.0 108.431 -171.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -62.09 103.45 0.37 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.107 0.963 . . . . 0.0 110.032 -176.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.5 p -89.82 -36.44 15.11 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.334 1.454 . . . . 0.0 111.161 178.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -77.4 -178.17 47.42 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 124.12 0.867 . . . . 0.0 111.338 175.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 108.04 119.98 4.42 Favored Glycine 0 C--N 1.34 0.791 0 N-CA-C 110.272 -1.131 . . . . 0.0 110.272 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 69.5 mt -76.82 80.52 0.7 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 C-N-CA 125.216 1.406 . . . . 0.0 107.248 177.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 122.65 24.69 2.07 Favored Glycine 0 N--CA 1.483 1.804 0 C-N-CA 124.153 0.883 . . . . 0.0 112.412 -175.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -66.24 160.54 24.1 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 118.743 1.272 . . . . 0.0 111.493 171.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.9 m -75.0 67.66 1.73 Allowed 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.406 1.482 . . . . 0.0 111.749 178.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 82.34 -79.87 1.84 Allowed Glycine 0 CA--C 1.532 1.094 0 C-N-CA 125.102 1.334 . . . . 0.0 113.431 167.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.5 p -76.42 120.59 21.87 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.422 1.089 . . . . 0.0 113.743 -160.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.23 -23.8 13.59 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.861 1.664 . . . . 0.0 111.711 165.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.4 m -68.87 93.11 0.53 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.196 1.798 . . . . 0.0 110.654 -175.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 64.0 m -59.57 144.93 46.16 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 126.597 1.959 . . . . 0.0 110.797 172.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.3 t -73.56 172.53 11.18 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.449 0.699 . . . . 0.0 110.742 -175.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 54.0 m -59.52 124.09 18.95 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.975 0.91 . . . . 0.0 110.653 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 110.5 -37.43 3.75 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 125.214 1.388 . . . . 0.0 111.784 -170.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 37.6 p -109.54 143.07 39.72 Favored 'General case' 0 C--N 1.344 0.345 0 C-N-CA 125.399 1.48 . . . . 0.0 111.675 -175.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.4 p -127.48 158.8 36.42 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.185 1.794 . . . . 0.0 109.984 168.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 46.3 t -76.69 93.95 3.73 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.503 1.521 . . . . 0.0 110.465 -170.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -90.67 131.93 36.07 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 126.791 2.036 . . . . 0.0 111.052 -175.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -76.44 135.17 39.42 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 126.03 1.732 . . . . 0.0 110.902 -177.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.7 m -123.72 -71.14 0.73 Allowed 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.039 1.336 . . . . 0.0 107.501 165.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -103.2 168.87 8.9 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.712 1.605 . . . . 0.0 110.178 164.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -56.93 -54.69 43.78 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.708 1.603 . . . . 0.0 110.692 169.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -79.13 -28.43 42.87 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.446 1.099 . . . . 0.0 112.663 -177.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -112.77 90.1 3.25 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.477 1.111 . . . . 0.0 109.589 176.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.2 t -103.92 140.81 37.18 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 107.054 -1.461 . . . . 0.0 107.054 161.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -130.49 146.28 52.0 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.54 1.136 . . . . 0.0 111.745 -170.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 94.8 m -72.84 114.64 11.21 Favored 'General case' 0 C--N 1.341 0.231 0 C-N-CA 125.62 1.568 . . . . 0.0 110.533 175.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 76.5 mt . . . . . 0 C--O 1.251 1.152 0 CA-C-O 116.776 -1.583 . . . . 0.0 110.337 -174.14 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.543 0.674 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 39.3 p -86.46 100.54 12.43 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 106.361 -1.718 . . . . 0.0 106.361 162.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -90.57 128.53 36.61 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 126.079 1.752 . . . . 0.0 108.939 -161.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.9 t -66.56 173.35 3.43 Favored 'General case' 0 C--N 1.347 0.474 0 CA-C-O 122.735 1.255 . . . . 0.0 113.26 -165.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 20.7 t-160 -57.88 126.58 28.04 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 112.768 -2.015 . . . . 0.0 108.037 166.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 25.7 m-90 64.98 96.95 0.05 OUTLIER 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.788 1.235 . . . . 0.0 109.263 -166.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -171.15 114.14 0.52 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 108.139 -1.984 . . . . 0.0 108.139 -171.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.95 105.43 1.32 Allowed 'General case' 0 C--N 1.34 0.177 0 C-N-CA 125.634 1.573 . . . . 0.0 109.204 -173.079 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.2 p -92.96 -55.82 3.21 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 126.275 1.83 . . . . 0.0 110.732 -173.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -112.46 76.47 0.23 Allowed Glycine 0 CA--C 1.531 1.054 0 C-N-CA 123.941 0.782 . . . . 0.0 112.19 -166.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -138.12 142.26 13.0 Favored Glycine 0 CA--C 1.531 1.045 0 C-N-CA 124.635 1.112 . . . . 0.0 111.24 -175.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 58.0 mt -83.16 69.31 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 C-N-CA 125.168 1.387 . . . . 0.0 108.328 -178.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 178.75 -61.55 0.08 OUTLIER Glycine 0 N--CA 1.485 1.94 0 N-CA-C 107.951 -2.06 . . . . 0.0 107.951 -173.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -67.54 125.27 25.63 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 126.051 1.741 . . . . 0.0 109.079 172.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 71.2 m -137.03 90.29 2.52 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.759 1.224 . . . . 0.0 109.677 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -168.88 -109.13 0.21 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.346 -1.102 . . . . 0.0 110.346 173.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -88.83 103.87 16.39 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 126.296 1.838 . . . . 0.0 113.593 -176.153 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.47 -45.63 68.57 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.066 1.347 . . . . 0.0 110.433 163.377 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 93.0 m -59.22 104.63 0.26 Allowed 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 126.924 2.09 . . . . 0.0 112.291 -164.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.1 m -50.26 158.51 0.56 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.757 1.623 . . . . 0.0 113.243 166.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.0 t -78.0 172.01 14.14 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.316 0.647 . . . . 0.0 109.334 164.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 57.1 m -60.95 138.9 58.14 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.859 0.864 . . . . 0.0 111.688 -179.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.35 -40.19 2.55 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 124.986 1.279 . . . . 0.0 111.989 -174.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.9 p -99.52 146.67 26.13 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.396 1.478 . . . . 0.0 111.037 -176.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.6 p -128.01 148.05 50.52 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 126.402 1.881 . . . . 0.0 109.848 175.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 44.8 t -65.78 108.93 2.28 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.59 0.756 . . . . 0.0 109.217 178.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -108.75 176.78 4.98 Favored 'General case' 0 C--N 1.34 0.183 0 C-N-CA 127.494 2.317 . . . . 0.0 110.352 -178.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -127.32 134.02 50.05 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.062 1.345 . . . . 0.0 110.56 -170.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.5 m -124.58 -73.09 0.65 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.023 1.329 . . . . 0.0 107.805 166.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -103.12 168.02 9.45 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.411 1.485 . . . . 0.0 110.576 169.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -54.7 -57.08 12.91 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 126.231 1.812 . . . . 0.0 110.85 172.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -76.47 -31.07 57.56 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.987 1.315 . . . . 0.0 112.295 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -110.38 73.99 0.86 Allowed 'General case' 0 C--N 1.347 0.467 0 C-N-CA 124.404 1.081 . . . . 0.0 109.31 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.9 m -98.14 116.12 29.71 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.663 1.185 . . . . 0.0 107.83 165.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -116.87 149.44 40.06 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.138 1.375 . . . . 0.0 112.559 -163.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 52.0 t -71.22 119.83 15.92 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 126.003 1.721 . . . . 0.0 110.427 174.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.4 mt . . . . . 0 C--O 1.25 1.108 0 C-N-CA 125.011 1.324 . . . . 0.0 110.974 -170.445 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.544 0.725 0 CA-C-O 120.477 0.18 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 66.5 p -73.3 92.26 1.78 Allowed 'General case' 0 C--N 1.346 0.429 0 N-CA-C 107.033 -1.469 . . . . 0.0 107.033 172.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -89.89 132.52 35.25 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.882 1.673 . . . . 0.0 109.069 -160.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.5 t -63.86 173.47 1.79 Allowed 'General case' 0 C--N 1.346 0.423 0 CA-C-O 122.985 1.374 . . . . 0.0 112.854 -168.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 18.7 t-160 -61.24 127.43 31.47 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 112.601 -2.091 . . . . 0.0 107.8 167.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 26.9 m-90 65.79 98.35 0.05 OUTLIER 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.155 1.382 . . . . 0.0 108.779 -165.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -171.51 115.06 0.56 Allowed Glycine 0 C--N 1.339 0.737 0 N-CA-C 107.551 -2.22 . . . . 0.0 107.551 -168.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -61.29 112.89 2.33 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.511 0.724 . . . . 0.0 109.442 -171.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.7 p -111.96 33.27 4.91 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.186 1.394 . . . . 0.0 111.665 -175.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 161.45 133.79 1.54 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 109.868 -1.293 . . . . 0.0 109.868 -177.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 164.8 146.13 4.65 Favored Glycine 0 CA--C 1.529 0.914 0 C-N-CA 124.985 1.279 . . . . 0.0 111.381 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 87.5 mt -72.95 97.11 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 175.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 135.77 -59.97 0.64 Allowed Glycine 0 N--CA 1.481 1.675 0 N-CA-C 109.17 -1.572 . . . . 0.0 109.17 -171.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -69.58 116.44 9.99 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.131 0.973 . . . . 0.0 109.359 177.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.3 m -136.38 85.74 2.17 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.233 1.413 . . . . 0.0 108.563 179.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -168.32 -127.86 0.95 Allowed Glycine 0 CA--C 1.531 1.052 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -70.26 99.84 1.6 Allowed 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 125.846 1.658 . . . . 0.0 114.031 -176.397 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.31 -21.67 42.33 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.396 1.478 . . . . 0.0 112.889 157.269 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 41.7 m -64.26 91.0 0.07 Allowed 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 126.4 1.88 . . . . 0.0 111.179 -179.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 62.4 m -64.77 146.43 54.82 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.556 1.942 . . . . 0.0 110.695 173.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.3 t -73.13 172.09 11.73 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.26 0.624 . . . . 0.0 110.762 -173.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 64.7 m -64.49 104.37 0.78 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.457 1.103 . . . . 0.0 109.695 176.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 132.29 -18.86 4.65 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 125.69 1.614 . . . . 0.0 112.978 -171.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.3 p -134.35 148.91 50.79 Favored 'General case' 0 C--N 1.344 0.329 0 C-N-CA 126.083 1.753 . . . . 0.0 111.26 -177.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 80.1 p -125.75 151.98 45.97 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.529 1.932 . . . . 0.0 108.606 171.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 40.8 t -69.63 110.16 4.7 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -177.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -105.17 173.77 6.16 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 126.711 2.004 . . . . 0.0 110.662 178.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -126.39 132.73 51.48 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 125.219 1.408 . . . . 0.0 110.273 -171.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 44.9 t -119.64 -75.56 0.58 Allowed 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.188 1.395 . . . . 0.0 107.718 168.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -104.02 166.16 10.59 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.986 1.714 . . . . 0.0 110.762 174.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -55.64 -51.29 67.72 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.005 1.722 . . . . 0.0 110.902 170.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -74.69 -31.79 62.0 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.622 1.169 . . . . 0.0 112.014 178.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -113.69 87.33 2.59 Favored 'General case' 0 C--N 1.345 0.411 0 C-N-CA 124.278 1.031 . . . . 0.0 110.516 -176.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.2 t -93.41 138.65 31.53 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 106.931 -1.507 . . . . 0.0 106.931 161.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -144.5 146.38 32.38 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 119.169 0.895 . . . . 0.0 113.084 -170.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 94.6 m -69.29 116.74 10.07 Favored 'General case' 0 C--N 1.345 0.372 0 C-N-CA 126.519 1.928 . . . . 0.0 111.286 175.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.3 mt . . . . . 0 C--O 1.252 1.189 0 CA-C-O 116.838 -1.553 . . . . 0.0 110.512 -176.854 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.541 0.614 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 36.6 p -82.38 98.1 8.68 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 163.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -74.27 135.57 42.64 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.347 1.459 . . . . 0.0 109.814 -164.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.1 t -65.32 173.23 2.67 Favored 'General case' 0 C--N 1.345 0.391 0 CA-C-O 122.943 1.354 . . . . 0.0 112.028 178.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 20.3 t-160 -66.21 127.26 31.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 112.822 -1.99 . . . . 0.0 108.204 171.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 28.1 m-90 66.47 97.45 0.05 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.884 1.274 . . . . 0.0 109.137 -169.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -174.38 114.31 0.5 Allowed Glycine 0 C--N 1.339 0.713 0 N-CA-C 106.902 -2.479 . . . . 0.0 106.902 -170.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -56.42 104.24 0.14 Allowed 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.317 1.047 . . . . 0.0 109.715 -177.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 24.3 p -91.84 -47.68 7.2 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.938 1.295 . . . . 0.0 110.638 -173.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -103.86 -145.14 14.3 Favored Glycine 0 CA--C 1.531 1.047 0 C-N-CA 125.042 1.305 . . . . 0.0 110.152 -179.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 84.45 136.45 3.36 Favored Glycine 0 CA--C 1.531 1.049 0 C-N-CA 124.039 0.828 . . . . 0.0 112.124 167.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 89.1 mt -67.64 124.45 23.07 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 C-N-CA 124.787 1.235 . . . . 0.0 108.977 -178.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 119.27 -47.32 1.04 Allowed Glycine 0 N--CA 1.483 1.832 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -178.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -60.38 141.76 55.85 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.949 1.3 . . . . 0.0 112.225 -172.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.4 m -136.47 84.4 2.07 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.345 1.458 . . . . 0.0 108.573 177.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -179.67 -169.38 39.92 Favored Glycine 0 CA--C 1.534 1.241 0 C-N-CA 123.6 0.619 . . . . 0.0 112.607 179.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -50.04 124.53 10.28 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 127.632 2.373 . . . . 0.0 114.37 -179.359 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.3 mtmm -93.01 -48.46 6.5 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.257 1.423 . . . . 0.0 109.549 173.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 90.1 m -59.26 103.04 0.15 Allowed 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 126.492 1.917 . . . . 0.0 111.062 -171.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.9 m -51.75 167.57 0.1 Allowed 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.805 2.042 . . . . 0.0 113.269 169.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.8 t -86.29 177.85 7.35 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.052 0.941 . . . . 0.0 109.551 168.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.1 t -60.7 136.69 58.14 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.252 1.021 . . . . 0.0 111.332 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.62 -33.51 5.13 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 124.903 1.239 . . . . 0.0 113.203 -176.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.4 p -101.47 144.61 30.04 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.711 1.605 . . . . 0.0 111.105 -176.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 81.5 p -127.7 145.41 50.91 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 127.541 2.336 . . . . 0.0 109.635 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 51.5 t -68.72 119.59 13.36 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 178.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -125.75 170.67 11.34 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 127.138 2.175 . . . . 0.0 110.776 -173.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -109.87 136.1 49.71 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 126.384 1.874 . . . . 0.0 109.432 -178.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.8 t -118.71 -74.33 0.61 Allowed 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.93 1.292 . . . . 0.0 107.895 169.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -102.66 168.26 9.37 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 126.251 1.82 . . . . 0.0 110.596 171.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -53.9 -53.78 47.86 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 126.206 1.803 . . . . 0.0 111.095 170.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -81.85 -29.26 32.61 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.043 1.337 . . . . 0.0 112.79 -177.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -115.44 104.57 11.89 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.375 1.47 . . . . 0.0 110.747 -179.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 57.2 m -115.22 115.82 27.32 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 125.93 1.692 . . . . 0.0 108.19 175.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -108.57 149.32 29.03 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.379 1.472 . . . . 0.0 113.709 -163.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 52.9 t -75.01 122.79 24.06 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.092 1.757 . . . . 0.0 110.191 171.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.9 mt . . . . . 0 C--O 1.251 1.139 0 CA-C-O 117.149 -1.405 . . . . 0.0 111.258 -166.973 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 p . . . . . 0 CA--C 1.535 0.394 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 66.5 p -52.34 108.51 0.3 Allowed 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.294 1.037 . . . . 0.0 109.599 -169.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -86.76 119.56 27.12 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 -150.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.9 t -57.02 167.09 0.88 Allowed 'General case' 0 C--N 1.347 0.469 0 CA-C-O 122.922 1.344 . . . . 0.0 112.426 -178.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 19.3 t-160 -58.79 127.7 33.5 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 112.773 -2.012 . . . . 0.0 108.408 175.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 27.6 m-90 66.38 99.61 0.05 OUTLIER 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.278 1.431 . . . . 0.0 108.26 -163.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -166.27 112.51 0.5 Allowed Glycine 0 C--N 1.341 0.842 0 N-CA-C 107.722 -2.151 . . . . 0.0 107.722 -167.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -75.05 104.1 5.49 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 -168.619 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.1 p -96.76 -38.55 9.84 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 127.146 2.179 . . . . 0.0 111.465 -173.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -41.14 -65.75 1.04 Allowed Glycine 0 CA--C 1.536 1.39 0 C-N-CA 127.992 2.71 . . . . 0.0 116.829 -175.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -42.66 127.21 4.81 Favored Glycine 0 C--N 1.345 1.056 0 C-N-CA 126.407 1.956 . . . . 0.0 115.733 -159.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 72.0 mt -74.28 87.71 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 N-CA-C 105.347 -2.094 . . . . 0.0 105.347 165.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 142.25 -49.59 0.74 Allowed Glycine 0 N--CA 1.483 1.786 0 N-CA-C 109.361 -1.495 . . . . 0.0 109.361 -164.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -63.68 123.55 19.14 Favored 'General case' 0 C--N 1.347 0.457 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 167.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.7 m -135.56 177.65 7.66 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.315 1.046 . . . . 0.0 112.088 -173.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 87.16 -79.37 1.8 Allowed Glycine 0 C--N 1.342 0.882 0 N-CA-C 109.439 -1.464 . . . . 0.0 109.439 -175.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.5 p -118.98 87.36 2.72 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 125.936 1.694 . . . . 0.0 113.448 -170.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.08 -20.76 60.89 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.222 152.639 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 84.9 m -74.35 103.52 4.76 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 126.197 1.799 . . . . 0.0 110.839 -173.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 67.2 m -64.42 154.29 36.12 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.757 2.023 . . . . 0.0 111.288 170.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.4 t -77.55 173.74 11.66 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 121.226 0.536 . . . . 0.0 110.354 -177.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.7 t -60.08 126.3 27.01 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.924 0.89 . . . . 0.0 110.679 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 106.39 -36.48 4.37 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 125.13 1.348 . . . . 0.0 112.045 -172.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 36.8 p -107.72 142.56 37.53 Favored 'General case' 0 C--N 1.344 0.357 0 C-N-CA 125.219 1.408 . . . . 0.0 111.368 -175.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.8 p -128.18 157.94 39.43 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.01 1.724 . . . . 0.0 110.296 168.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 40.9 t -74.82 91.44 2.43 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.974 1.71 . . . . 0.0 110.321 -171.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -88.22 127.85 35.45 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 126.782 2.033 . . . . 0.0 111.101 -175.39 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -81.54 135.04 35.58 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 126.257 1.823 . . . . 0.0 111.257 -171.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.3 m -121.92 -70.89 0.76 Allowed 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.327 1.451 . . . . 0.0 107.425 166.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -102.5 171.98 7.13 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.844 1.658 . . . . 0.0 110.001 166.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -58.93 -55.99 28.01 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.84 1.256 . . . . 0.0 110.441 168.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -79.76 -26.38 40.73 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.5 1.12 . . . . 0.0 112.635 -174.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -112.58 94.28 4.84 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.995 1.318 . . . . 0.0 109.341 174.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.0 t -115.76 143.5 45.3 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 106.883 -1.525 . . . . 0.0 106.883 162.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -135.38 145.59 47.49 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.951 0.9 . . . . 0.0 111.846 -168.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 87.2 m -71.38 115.81 10.98 Favored 'General case' 0 C--N 1.341 0.224 0 C-N-CA 125.578 1.551 . . . . 0.0 110.516 176.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 78.6 mt . . . . . 0 C--O 1.251 1.18 0 C-N-CA 125.144 1.377 . . . . 0.0 110.116 -174.777 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.541 0.625 0 CA-C-O 120.681 0.277 . . . . 0.0 111.398 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 64.3 p -77.71 85.57 4.02 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 106.956 -1.498 . . . . 0.0 106.956 168.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -74.6 129.81 38.4 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 126.712 2.005 . . . . 0.0 109.314 -166.085 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.8 t -67.1 174.4 3.15 Favored 'General case' 0 C--N 1.343 0.32 0 CA-C-O 122.998 1.38 . . . . 0.0 111.982 -171.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -64.4 125.78 25.7 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 112.581 -2.1 . . . . 0.0 108.119 170.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 27.1 m-90 66.03 97.42 0.05 OUTLIER 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.182 1.393 . . . . 0.0 108.533 -166.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -177.64 123.76 0.9 Allowed Glycine 0 C--N 1.34 0.777 0 N-CA-C 107.814 -2.115 . . . . 0.0 107.814 -165.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -69.79 151.2 46.04 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 117.001 0.4 . . . . 0.0 110.636 -171.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.0 p -143.15 -46.89 0.3 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.253 1.421 . . . . 0.0 110.511 -174.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -116.32 60.82 0.42 Allowed Glycine 0 CA--C 1.534 1.248 0 C-N-CA 124.444 1.021 . . . . 0.0 112.483 -170.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -110.08 135.54 12.94 Favored Glycine 0 C--N 1.343 0.925 0 C-N-CA 124.351 0.976 . . . . 0.0 110.946 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 52.3 mt -83.4 64.51 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 C-N-CA 124.897 1.279 . . . . 0.0 107.62 175.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 168.8 -62.24 0.19 Allowed Glycine 0 N--CA 1.486 1.989 0 N-CA-C 107.857 -2.097 . . . . 0.0 107.857 -167.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -62.86 124.29 20.68 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.758 1.623 . . . . 0.0 109.363 172.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.5 m -130.52 75.0 1.63 Allowed 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.282 1.433 . . . . 0.0 108.342 -176.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -157.79 -164.07 13.46 Favored Glycine 0 CA--C 1.532 1.127 0 C-N-CA 124.768 1.175 . . . . 0.0 111.576 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -41.56 118.35 1.06 Allowed 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 126.366 1.866 . . . . 0.0 115.939 -178.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.38 -33.23 16.13 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.548 1.939 . . . . 0.0 111.118 168.207 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 33.1 m -64.68 87.43 0.06 Allowed 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.84 2.056 . . . . 0.0 111.479 -173.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 59.9 m -56.98 146.67 26.22 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 127.123 2.169 . . . . 0.0 110.312 170.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.1 t -72.37 173.35 8.86 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.021 0.529 . . . . 0.0 110.494 -174.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.8 t -58.06 119.12 6.23 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.226 1.01 . . . . 0.0 110.657 179.175 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 107.17 -17.08 38.11 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 125.437 1.494 . . . . 0.0 113.858 -175.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 45.1 p -119.17 144.77 46.5 Favored 'General case' 0 C--N 1.344 0.358 0 C-N-CA 125.673 1.589 . . . . 0.0 111.061 -177.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 74.2 p -127.31 144.85 50.97 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 127.26 2.224 . . . . 0.0 109.343 179.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 36.3 t -68.01 101.13 1.07 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.072 0.949 . . . . 0.0 108.808 177.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -105.63 118.24 36.08 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 126.555 1.942 . . . . 0.0 109.426 -173.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -73.57 134.23 43.71 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.359 1.464 . . . . 0.0 110.133 177.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.3 t -120.55 -73.32 0.65 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.933 1.293 . . . . 0.0 107.768 169.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -102.49 168.02 9.56 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.605 1.562 . . . . 0.0 110.152 170.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -62.16 -45.72 92.18 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.169 0.988 . . . . 0.0 111.597 174.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -78.59 -34.15 47.05 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.297 1.039 . . . . 0.0 112.163 176.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -112.35 90.97 3.49 Favored 'General case' 0 C--N 1.348 0.51 0 CA-C-N 119.591 1.087 . . . . 0.0 110.135 -175.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 67.5 m -118.82 122.43 42.36 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.637 1.575 . . . . 0.0 108.467 172.146 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -129.33 147.93 51.2 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.773 1.229 . . . . 0.0 112.828 -160.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 88.3 m -70.5 119.06 14.1 Favored 'General case' 0 C--N 1.343 0.313 0 C-N-CA 125.906 1.682 . . . . 0.0 110.677 173.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 91.2 mt . . . . . 0 C--O 1.251 1.149 0 C-N-CA 125.763 1.625 . . . . 0.0 109.981 -173.289 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.542 0.667 0 N-CA-C 113.013 0.745 . . . . 0.0 113.013 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 37.5 p -98.93 118.52 35.87 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 105.351 -2.092 . . . . 0.0 105.351 156.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.68 142.33 37.23 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 -168.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.5 t -68.07 179.11 1.6 Allowed 'General case' 0 C--N 1.344 0.363 0 CA-C-O 122.637 1.208 . . . . 0.0 111.27 -178.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 21.6 t-160 -62.16 125.0 22.35 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 113.58 -1.646 . . . . 0.0 107.741 167.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 25.5 m-90 64.91 96.63 0.05 OUTLIER 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.017 1.327 . . . . 0.0 109.145 -163.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -165.79 113.84 0.56 Allowed Glycine 0 C--N 1.341 0.835 0 N-CA-C 106.878 -2.489 . . . . 0.0 106.878 -173.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -69.51 101.12 1.53 Allowed 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 124.287 1.035 . . . . 0.0 109.196 -170.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 24.0 p -93.93 -44.02 8.28 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 126.312 1.845 . . . . 0.0 112.017 -165.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -84.58 -107.41 0.62 Allowed Glycine 0 CA--C 1.532 1.14 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 -178.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 74.64 126.88 0.16 Allowed Glycine 0 CA--C 1.53 1.029 0 C-N-CA 125.264 1.412 . . . . 0.0 113.517 166.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 48.5 mt -84.15 62.08 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 C-N-CA 124.678 1.191 . . . . 0.0 107.967 173.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 178.53 -64.54 0.08 OUTLIER Glycine 0 N--CA 1.487 2.033 0 N-CA-C 108.999 -1.64 . . . . 0.0 108.999 -170.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -67.0 127.36 32.29 Favored 'General case' 0 C--N 1.344 0.367 0 C-N-CA 125.52 1.528 . . . . 0.0 109.274 176.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.1 m -135.5 78.9 1.75 Allowed 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 125.239 1.416 . . . . 0.0 108.227 178.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -154.23 -135.44 2.09 Favored Glycine 0 CA--C 1.53 0.974 0 C-N-CA 124.637 1.113 . . . . 0.0 110.398 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.2 p -74.56 117.94 16.96 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.076 1.35 . . . . 0.0 113.723 -175.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.13 -15.74 14.59 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 127.182 2.193 . . . . 0.0 113.73 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.4 m -75.85 90.21 2.92 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.644 1.178 . . . . 0.0 110.061 -173.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 61.5 m -58.08 140.81 51.86 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 126.247 1.819 . . . . 0.0 110.725 176.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.8 t -72.29 175.18 6.34 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 121.227 0.537 . . . . 0.0 111.187 -173.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.2 t -57.09 127.63 32.9 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.144 0.978 . . . . 0.0 111.096 -178.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.42 -36.67 4.12 Favored Glycine 0 CA--C 1.535 1.337 0 C-N-CA 125.063 1.316 . . . . 0.0 112.101 -171.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 60.3 p -104.48 143.63 32.77 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 125.202 1.401 . . . . 0.0 111.543 -174.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 65.8 p -125.55 153.56 43.47 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 126.518 1.927 . . . . 0.0 108.944 174.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 52.4 t -71.2 107.06 4.03 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 -178.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -105.21 179.06 4.38 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.39 1.876 . . . . 0.0 111.154 -176.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -135.57 133.82 38.74 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.582 1.553 . . . . 0.0 109.483 -175.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 73.7 m -123.7 -77.72 0.59 Allowed 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 169.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -106.03 163.0 13.11 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.911 1.684 . . . . 0.0 110.22 165.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -47.77 -60.55 2.49 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 127.339 2.255 . . . . 0.0 113.038 -176.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -74.02 -27.55 61.01 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.639 1.176 . . . . 0.0 112.25 -175.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -110.65 69.7 0.7 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.878 1.671 . . . . 0.0 109.653 -178.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 69.0 m -97.41 105.75 17.95 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 127.128 2.171 . . . . 0.0 106.699 172.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -121.94 152.73 39.37 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.531 1.133 . . . . 0.0 112.984 -156.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 91.8 m -70.44 116.61 10.98 Favored 'General case' 0 C--N 1.344 0.328 0 C-N-CA 125.552 1.541 . . . . 0.0 111.125 174.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.3 mt . . . . . 0 C--O 1.252 1.206 0 C-N-CA 125.791 1.636 . . . . 0.0 109.821 -174.179 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.545 0.755 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 77.1 p -74.04 91.72 2.08 Favored 'General case' 0 C--N 1.344 0.368 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 174.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -86.4 132.76 33.87 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 126.74 2.016 . . . . 0.0 108.844 -164.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.5 t -68.87 176.86 2.85 Favored 'General case' 0 C--N 1.345 0.393 0 CA-C-O 122.917 1.341 . . . . 0.0 112.582 -166.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 20.6 t-160 -64.65 126.63 28.52 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 112.674 -2.057 . . . . 0.0 108.076 169.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 25.8 m-90 65.44 98.19 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.071 1.348 . . . . 0.0 108.903 -166.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -177.35 114.57 0.47 Allowed Glycine 0 C--N 1.339 0.718 0 N-CA-C 107.38 -2.288 . . . . 0.0 107.38 -167.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -57.25 140.46 49.77 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.357 0.663 . . . . 0.0 109.706 -179.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.7 p -135.38 -42.35 0.71 Allowed 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.231 1.412 . . . . 0.0 110.473 -169.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -101.32 -137.15 9.61 Favored Glycine 0 CA--C 1.532 1.114 0 N-CA-C 109.062 -1.615 . . . . 0.0 109.062 169.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.84 127.41 0.64 Allowed Glycine 0 CA--C 1.532 1.148 0 C-N-CA 124.209 0.909 . . . . 0.0 112.04 175.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 83.1 mt -70.78 115.15 9.95 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 C-N-CA 124.549 1.14 . . . . 0.0 108.554 178.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 126.12 -55.79 0.73 Allowed Glycine 0 N--CA 1.482 1.717 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 -177.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -65.11 122.44 17.06 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.051 1.341 . . . . 0.0 109.886 178.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 64.4 m -130.86 72.44 1.5 Allowed 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.603 1.561 . . . . 0.0 108.257 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -151.91 -168.61 16.44 Favored Glycine 0 CA--C 1.531 1.042 0 C-N-CA 125.255 1.407 . . . . 0.0 111.189 179.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -42.34 118.46 1.18 Allowed 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 116.189 1.922 . . . . 0.0 116.189 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.4 -27.85 16.49 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 127.151 2.18 . . . . 0.0 112.148 169.275 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 52.2 m -65.61 89.94 0.11 Allowed 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.073 1.749 . . . . 0.0 110.789 -176.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 62.0 m -61.62 141.1 58.01 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 126.764 2.026 . . . . 0.0 110.02 171.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.7 t -69.62 171.77 8.45 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.184 0.594 . . . . 0.0 110.432 -174.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.9 t -58.21 124.42 19.35 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.758 0.823 . . . . 0.0 110.961 -179.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 109.56 -36.51 4.27 Favored Glycine 0 CA--C 1.536 1.385 0 C-N-CA 125.259 1.409 . . . . 0.0 111.974 -171.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 49.3 p -107.51 145.7 32.77 Favored 'General case' 0 C--N 1.344 0.36 0 C-N-CA 125.423 1.489 . . . . 0.0 111.577 -174.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 81.3 p -126.08 152.36 45.95 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 126.708 2.003 . . . . 0.0 109.112 174.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 43.4 t -69.27 110.37 4.59 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 179.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -106.19 178.84 4.44 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 126.281 1.832 . . . . 0.0 111.088 -177.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -144.12 131.38 20.76 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.38 1.472 . . . . 0.0 109.289 -170.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 43.8 t -110.87 -77.32 0.59 Allowed 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 106.814 -1.55 . . . . 0.0 106.814 169.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -106.2 -179.06 3.83 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.741 1.616 . . . . 0.0 111.219 165.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -54.8 -59.19 5.07 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.922 1.689 . . . . 0.0 112.059 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -74.79 -25.63 59.19 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.523 1.529 . . . . 0.0 112.547 -172.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -110.17 86.96 2.4 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.716 1.207 . . . . 0.0 109.137 -176.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 72.8 m -116.14 107.51 14.99 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 126.359 1.863 . . . . 0.0 107.79 175.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -123.57 150.73 43.71 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.433 1.493 . . . . 0.0 112.014 -163.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 68.8 m -70.54 118.33 13.21 Favored 'General case' 0 C--N 1.344 0.345 0 C-N-CA 125.641 1.577 . . . . 0.0 110.933 174.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.0 mt . . . . . 0 C--O 1.252 1.186 0 C-N-CA 125.773 1.629 . . . . 0.0 109.965 -175.042 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.541 0.616 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.3 p -78.67 90.34 4.59 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 106.925 -1.509 . . . . 0.0 106.925 166.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -84.31 134.35 34.51 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 126.426 1.891 . . . . 0.0 109.023 -167.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.4 t -65.84 172.92 3.2 Favored 'General case' 0 C--N 1.346 0.435 0 CA-C-O 122.957 1.361 . . . . 0.0 112.971 -168.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 22.2 t-160 -61.31 128.34 35.89 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 112.605 -2.088 . . . . 0.0 108.215 166.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 26.0 m-90 64.62 96.78 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.124 1.37 . . . . 0.0 108.94 -167.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -168.79 112.92 0.5 Allowed Glycine 0 C--N 1.34 0.765 0 N-CA-C 108.068 -2.013 . . . . 0.0 108.068 -168.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -63.85 108.98 1.6 Allowed 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.476 0.711 . . . . 0.0 109.142 -175.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.0 p -89.09 -52.72 4.93 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.118 1.367 . . . . 0.0 108.853 176.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -108.29 133.72 11.82 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 125.206 1.384 . . . . 0.0 109.66 174.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 167.12 131.45 1.27 Allowed Glycine 0 CA--C 1.53 1.022 0 N-CA-C 108.893 -1.683 . . . . 0.0 108.893 -178.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 69.5 mt -78.85 76.41 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 C-N-CA 124.809 1.244 . . . . 0.0 108.592 -172.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 175.21 -59.79 0.11 Allowed Glycine 0 N--CA 1.484 1.894 0 N-CA-C 108.032 -2.027 . . . . 0.0 108.032 -171.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -75.67 130.86 39.41 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.327 1.851 . . . . 0.0 109.929 177.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 71.1 m -136.93 89.87 2.48 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.481 1.512 . . . . 0.0 108.487 175.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -170.36 -133.49 1.61 Allowed Glycine 0 CA--C 1.531 1.035 0 N-CA-C 111.271 -0.731 . . . . 0.0 111.271 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -62.87 106.48 0.82 Allowed 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 126.836 2.054 . . . . 0.0 115.725 -179.727 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -80.01 -29.9 39.49 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.506 1.522 . . . . 0.0 112.083 160.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 51.1 m -63.71 92.43 0.07 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.614 1.566 . . . . 0.0 111.303 -173.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 62.3 m -64.83 144.49 57.23 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 127.229 2.212 . . . . 0.0 110.169 174.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.5 t -72.16 180.0 3.08 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.711 0.804 . . . . 0.0 111.231 -173.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.7 m -55.68 122.38 11.25 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.865 1.266 . . . . 0.0 111.018 178.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.79 8.86 69.19 Favored Glycine 0 CA--C 1.539 1.538 0 C-N-CA 125.223 1.392 . . . . 0.0 114.322 -177.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 66.2 p -137.84 142.34 40.75 Favored 'General case' 0 C--N 1.345 0.387 0 C-N-CA 125.4 1.48 . . . . 0.0 110.111 177.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 60.2 p -125.99 153.61 44.09 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 126.16 1.784 . . . . 0.0 109.308 175.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 32.4 t -68.04 101.61 1.16 Allowed 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 177.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -98.36 177.42 5.37 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 126.237 1.815 . . . . 0.0 110.345 178.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -136.12 132.48 36.13 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 125.078 1.351 . . . . 0.0 109.88 -172.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.7 m -120.88 -72.98 0.66 Allowed 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.209 1.404 . . . . 0.0 107.492 168.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -103.06 169.5 8.52 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.783 1.633 . . . . 0.0 110.3 170.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -57.19 -54.0 51.72 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.517 1.527 . . . . 0.0 110.545 168.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -74.37 -30.07 61.82 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.684 1.194 . . . . 0.0 111.822 -177.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -113.43 84.72 2.06 Favored 'General case' 0 C--N 1.346 0.413 0 C-N-CA 124.932 1.293 . . . . 0.0 109.951 179.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.0 m -114.08 115.61 27.84 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.65 1.18 . . . . 0.0 108.344 169.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -128.44 153.25 47.31 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.941 1.296 . . . . 0.0 112.641 -157.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 86.5 m -69.8 120.5 15.64 Favored 'General case' 0 C--N 1.344 0.355 0 C-N-CA 125.773 1.629 . . . . 0.0 111.108 174.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.0 mt . . . . . 0 C--O 1.251 1.136 0 C-N-CA 125.719 1.608 . . . . 0.0 109.615 -175.51 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.544 0.715 0 CA-C-O 121.046 0.451 . . . . 0.0 110.813 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 26.3 p -101.67 110.73 22.77 Favored 'General case' 0 C--N 1.343 0.287 0 N-CA-C 104.507 -2.405 . . . . 0.0 104.507 157.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.1 143.76 43.22 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 -159.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.1 t -64.15 174.7 1.48 Allowed 'General case' 0 C--N 1.344 0.367 0 CA-C-O 122.77 1.272 . . . . 0.0 111.588 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 21.3 t-160 -59.73 126.55 28.03 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 113.205 -1.816 . . . . 0.0 107.878 166.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 23.9 m-90 63.51 95.7 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.347 1.459 . . . . 0.0 109.036 -164.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -161.51 125.55 1.45 Allowed Glycine 0 C--N 1.343 0.942 0 N-CA-C 108.161 -1.976 . . . . 0.0 108.161 -174.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -69.87 97.34 1.1 Allowed 'General case' 0 C--N 1.342 0.259 0 C-N-CA 124.133 0.973 . . . . 0.0 110.64 -174.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.6 p -89.61 -22.32 22.38 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.515 1.526 . . . . 0.0 111.137 175.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -74.73 -158.61 6.41 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 125.975 1.75 . . . . 0.0 110.867 172.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.45 106.83 0.44 Allowed Glycine 0 CA--C 1.527 0.794 0 N-CA-C 110.732 -0.947 . . . . 0.0 110.732 170.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 84.7 mt -69.48 95.24 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.442 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 173.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 144.67 -65.4 0.45 Allowed Glycine 0 N--CA 1.48 1.57 0 N-CA-C 108.333 -1.907 . . . . 0.0 108.333 -171.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -87.53 76.66 8.93 Favored 'General case' 0 C--N 1.345 0.382 0 C-N-CA 123.793 0.837 . . . . 0.0 108.778 172.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 65.0 m -123.65 47.49 2.02 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.572 1.149 . . . . 0.0 109.233 168.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -86.89 -83.96 1.14 Allowed Glycine 0 C--N 1.344 1.014 0 N-CA-C 108.06 -2.016 . . . . 0.0 108.06 173.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.9 p -89.8 117.07 28.37 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 124.64 1.176 . . . . 0.0 110.522 171.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.8 -23.0 5.16 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 127.948 2.499 . . . . 0.0 111.357 179.558 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 54.1 m -70.49 92.43 0.83 Allowed 'General case' 0 C--N 1.346 0.449 0 C-N-CA 125.966 1.706 . . . . 0.0 110.057 -175.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 65.8 m -57.05 142.71 41.16 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.666 1.986 . . . . 0.0 110.758 175.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.1 t -71.87 173.51 8.19 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 122.965 0.506 . . . . 0.0 111.168 -172.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.1 t -57.16 126.2 26.14 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.951 0.9 . . . . 0.0 111.133 -178.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 104.66 -36.86 4.11 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 125.13 1.347 . . . . 0.0 111.992 -171.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 58.6 p -106.53 140.05 40.03 Favored 'General case' 0 C--N 1.343 0.324 0 C-N-CA 125.446 1.498 . . . . 0.0 111.394 -174.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 29.4 p -127.28 157.52 39.64 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.047 1.739 . . . . 0.0 109.914 169.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 42.1 t -73.61 93.32 2.03 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.388 1.475 . . . . 0.0 110.423 -172.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -88.36 135.06 33.64 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 126.871 2.068 . . . . 0.0 110.381 -179.175 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -99.56 133.88 43.24 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.674 1.59 . . . . 0.0 111.026 -171.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.5 t -117.45 -73.17 0.65 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.54 1.536 . . . . 0.0 107.59 167.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -102.52 169.76 8.46 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.921 1.689 . . . . 0.0 110.451 172.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -55.09 -56.01 24.62 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.312 1.445 . . . . 0.0 110.541 168.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -78.44 -25.87 46.08 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.399 1.08 . . . . 0.0 112.723 -175.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -112.89 93.62 4.51 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.112 1.365 . . . . 0.0 109.839 177.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.0 t -115.72 129.9 56.64 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 106.143 -1.799 . . . . 0.0 106.143 164.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -128.13 146.52 50.68 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.401 1.081 . . . . 0.0 111.954 -169.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 98.1 m -72.77 115.66 12.33 Favored 'General case' 0 C--N 1.341 0.232 0 C-N-CA 125.652 1.581 . . . . 0.0 110.374 175.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 77.8 mt . . . . . 0 C--O 1.251 1.149 0 CA-C-O 116.945 -1.503 . . . . 0.0 110.104 -174.754 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.542 0.666 0 CA-C-O 120.812 0.339 . . . . 0.0 111.274 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 56.5 p -79.59 87.31 5.17 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 106.749 -1.575 . . . . 0.0 106.749 167.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -74.99 129.76 38.19 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 126.325 1.85 . . . . 0.0 109.933 -163.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.6 t -63.33 169.14 3.84 Favored 'General case' 0 C--N 1.344 0.36 0 CA-C-O 122.805 1.288 . . . . 0.0 112.028 -173.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 18.7 t-160 -62.09 125.26 23.24 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 112.866 -1.97 . . . . 0.0 107.597 167.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 25.6 m-90 65.94 98.07 0.05 OUTLIER 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.276 1.431 . . . . 0.0 108.672 -166.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -178.66 122.55 0.81 Allowed Glycine 0 C--N 1.339 0.732 0 N-CA-C 107.522 -2.231 . . . . 0.0 107.522 -166.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -65.96 144.57 56.68 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.992 0.396 . . . . 0.0 110.0 -170.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.7 p -146.42 14.79 1.27 Allowed 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.967 1.707 . . . . 0.0 111.985 -171.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 178.6 134.17 2.05 Favored Glycine 0 CA--C 1.531 1.062 0 N-CA-C 109.549 -1.421 . . . . 0.0 109.549 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 163.62 147.51 5.09 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 125.094 1.331 . . . . 0.0 111.563 -179.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 53.9 mt -84.43 64.66 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 C-N-CA 124.965 1.306 . . . . 0.0 107.936 177.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 177.34 -64.06 0.09 OUTLIER Glycine 0 N--CA 1.484 1.891 0 N-CA-C 108.121 -1.992 . . . . 0.0 108.121 -171.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -70.36 122.5 19.71 Favored 'General case' 0 C--N 1.345 0.399 0 C-N-CA 125.416 1.486 . . . . 0.0 109.115 174.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.0 m -130.79 73.87 1.56 Allowed 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 125.491 1.517 . . . . 0.0 107.955 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -153.44 -162.21 10.88 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 124.837 1.208 . . . . 0.0 111.748 -176.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -45.55 117.82 1.57 Allowed 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 126.536 1.934 . . . . 0.0 114.922 -178.411 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.92 -20.79 16.61 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 126.094 1.758 . . . . 0.0 112.571 167.361 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 41.2 m -67.39 86.35 0.18 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.028 1.731 . . . . 0.0 110.53 178.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 61.5 m -57.0 145.91 28.85 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.885 2.074 . . . . 0.0 110.559 171.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.7 t -73.12 169.16 17.59 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.299 0.64 . . . . 0.0 110.22 -175.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 80.5 p -59.47 120.1 8.75 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.844 0.858 . . . . 0.0 110.597 177.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 117.82 -38.67 2.86 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 125.285 1.421 . . . . 0.0 111.484 -169.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.8 p -112.68 147.77 36.07 Favored 'General case' 0 C--N 1.345 0.389 0 C-N-CA 125.455 1.502 . . . . 0.0 112.182 -175.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 73.6 p -128.01 157.62 40.14 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 127.375 2.27 . . . . 0.0 109.522 170.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 41.1 t -77.34 106.02 8.82 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.806 0.843 . . . . 0.0 110.589 -174.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -96.07 135.1 38.31 Favored 'General case' 0 C--N 1.343 0.29 0 C-N-CA 127.317 2.247 . . . . 0.0 110.47 178.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -92.9 134.18 35.35 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.836 1.654 . . . . 0.0 109.392 175.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 68.8 m -111.39 -80.02 0.58 Allowed 'General case' 0 C--N 1.344 0.342 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 171.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -107.56 177.46 4.83 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.673 1.589 . . . . 0.0 111.916 169.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -51.42 -55.51 18.3 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.397 1.879 . . . . 0.0 112.031 179.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -77.65 -27.54 51.04 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.085 1.354 . . . . 0.0 112.669 -173.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -115.27 100.23 7.98 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.706 1.202 . . . . 0.0 111.189 -176.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.1 t -112.38 129.84 56.17 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 159.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -129.77 148.46 51.65 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.543 1.537 . . . . 0.0 111.729 -171.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 94.8 m -72.5 116.5 13.04 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.964 1.706 . . . . 0.0 110.986 175.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 94.9 mt . . . . . 0 C--O 1.252 1.192 0 C-N-CA 125.783 1.633 . . . . 0.0 110.449 -174.256 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.545 0.755 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 38.2 p -102.54 118.92 37.91 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 105.904 -1.887 . . . . 0.0 105.904 166.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.96 144.44 31.86 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 -168.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.8 t -64.79 174.81 1.69 Allowed 'General case' 0 C--N 1.344 0.336 0 CA-C-O 122.759 1.266 . . . . 0.0 111.296 175.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 22.1 t-160 -58.25 128.03 35.09 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 113.299 -1.773 . . . . 0.0 107.817 164.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 27.0 m-90 65.7 96.35 0.05 Allowed 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.177 1.391 . . . . 0.0 109.1 -165.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -166.8 120.74 0.93 Allowed Glycine 0 CA--C 1.532 1.132 0 N-CA-C 108.917 -1.673 . . . . 0.0 108.917 -172.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -74.63 111.45 9.83 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 125.355 1.462 . . . . 0.0 111.342 -172.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.4 p -90.89 -48.46 7.0 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.001 0.52 . . . . 0.0 110.505 172.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -105.5 85.87 0.47 Allowed Glycine 0 C--N 1.344 0.998 0 N-CA-C 109.529 -1.428 . . . . 0.0 109.529 -174.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -142.58 116.43 1.04 Allowed Glycine 0 CA--C 1.529 0.912 0 C-N-CA 126.251 1.882 . . . . 0.0 109.029 170.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 93.1 mt -44.78 -30.33 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.558 1.254 0 N-CA-C 116.07 1.878 . . . . 0.0 116.07 -175.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -89.04 -43.64 5.3 Favored Glycine 0 N--CA 1.488 2.126 0 CA-C-N 121.567 1.985 . . . . 0.0 110.405 175.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -56.58 117.58 4.01 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.496 1.518 . . . . 0.0 110.226 176.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.9 m -136.39 79.41 1.76 Allowed 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 125.451 1.5 . . . . 0.0 108.32 178.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -149.54 -119.94 1.01 Allowed Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.154 -1.178 . . . . 0.0 110.154 -179.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.2 p -89.64 122.25 32.59 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 125.843 1.657 . . . . 0.0 113.627 -177.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -91.36 -48.05 7.12 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 126.663 1.985 . . . . 0.0 111.396 175.007 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 49.6 m -62.63 99.75 0.16 Allowed 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.979 1.712 . . . . 0.0 112.092 -166.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 65.4 m -57.66 153.24 13.72 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 126.355 1.862 . . . . 0.0 111.625 173.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.8 t -75.16 175.93 7.8 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 121.283 0.563 . . . . 0.0 111.054 -177.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 56.2 m -59.46 131.97 52.58 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.095 0.958 . . . . 0.0 111.115 -179.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.6 -37.81 3.32 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 124.908 1.242 . . . . 0.0 112.111 -172.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 37.9 p -101.33 141.18 34.58 Favored 'General case' 0 C--N 1.344 0.358 0 C-N-CA 125.092 1.357 . . . . 0.0 111.143 -175.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 71.7 p -125.64 149.01 48.79 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 126.535 1.934 . . . . 0.0 108.024 170.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 36.4 t -70.25 101.14 1.83 Allowed 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 -179.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -80.42 177.68 8.82 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.866 1.666 . . . . 0.0 110.024 175.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -137.86 132.28 32.29 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.338 1.055 . . . . 0.0 110.305 -170.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 68.9 m -122.09 -70.56 0.77 Allowed 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.537 1.535 . . . . 0.0 107.331 167.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -102.85 168.98 8.87 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.035 1.734 . . . . 0.0 110.23 171.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -60.23 -48.18 82.84 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.578 1.151 . . . . 0.0 110.435 168.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -76.62 -28.06 55.96 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.834 1.254 . . . . 0.0 111.884 -176.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -114.5 86.76 2.49 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.869 1.267 . . . . 0.0 109.727 178.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.8 m -115.67 113.09 23.06 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.476 1.11 . . . . 0.0 108.253 170.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -127.56 145.17 50.95 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.235 1.414 . . . . 0.0 112.724 -158.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 80.2 m -62.36 119.2 8.63 Favored 'General case' 0 C--N 1.346 0.437 0 C-N-CA 125.997 1.719 . . . . 0.0 112.019 176.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.1 mt . . . . . 0 C--O 1.251 1.171 0 C-N-CA 126.021 1.728 . . . . 0.0 109.718 -178.02 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.542 0.646 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.7 p -81.55 100.84 9.6 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 106.199 -1.778 . . . . 0.0 106.199 161.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -74.81 128.78 36.39 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.833 1.253 . . . . 0.0 109.221 -165.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.9 t -63.79 174.66 1.35 Allowed 'General case' 0 C--N 1.345 0.399 0 CA-C-O 122.968 1.366 . . . . 0.0 112.232 -179.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 20.4 t-160 -64.26 128.05 34.13 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 112.88 -1.964 . . . . 0.0 108.25 170.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 28.5 m-90 66.12 98.29 0.05 OUTLIER 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.367 1.467 . . . . 0.0 108.982 -167.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -171.42 115.79 0.6 Allowed Glycine 0 C--N 1.34 0.803 0 N-CA-C 108.111 -1.995 . . . . 0.0 108.111 -172.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -62.32 104.47 0.5 Allowed 'General case' 0 C--N 1.342 0.245 0 C-N-CA 124.13 0.972 . . . . 0.0 109.486 -177.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.4 p -91.39 -42.85 10.09 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 125.786 1.634 . . . . 0.0 110.594 -171.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -120.4 143.58 16.64 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 125.995 1.76 . . . . 0.0 110.506 178.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 165.06 141.55 3.16 Favored Glycine 0 CA--C 1.529 0.919 0 C-N-CA 124.607 1.099 . . . . 0.0 112.062 179.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 55.1 mt -84.85 65.92 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 C-N-CA 125.199 1.399 . . . . 0.0 107.794 176.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -178.99 -64.36 0.07 OUTLIER Glycine 0 N--CA 1.485 1.916 0 N-CA-C 108.123 -1.991 . . . . 0.0 108.123 -173.053 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -67.42 133.4 49.5 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.388 1.475 . . . . 0.0 109.35 172.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.5 m -134.47 80.4 1.85 Allowed 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 125.27 1.428 . . . . 0.0 108.284 -177.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -165.1 -157.52 9.8 Favored Glycine 0 CA--C 1.532 1.136 0 C-N-CA 124.377 0.989 . . . . 0.0 111.734 -179.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -51.39 125.3 13.96 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 127.036 2.134 . . . . 0.0 114.523 -176.315 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.3 mtmm -95.57 -44.08 7.65 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.556 1.543 . . . . 0.0 110.145 174.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 62.2 m -59.96 95.81 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.938 2.095 . . . . 0.0 111.657 -168.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 63.7 m -61.41 145.46 51.58 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 126.429 1.892 . . . . 0.0 110.685 174.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.8 t -73.65 175.92 6.7 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.596 0.759 . . . . 0.0 111.015 -173.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.3 t -58.4 118.19 5.29 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.508 1.123 . . . . 0.0 110.426 177.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 107.74 -14.74 38.13 Favored Glycine 0 CA--C 1.538 1.489 0 C-N-CA 125.433 1.492 . . . . 0.0 113.793 -175.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 40.8 p -127.86 141.44 51.56 Favored 'General case' 0 C--N 1.344 0.33 0 C-N-CA 125.779 1.632 . . . . 0.0 110.739 -178.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.8 p -127.44 157.79 39.09 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 126.157 1.783 . . . . 0.0 109.97 169.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 42.9 t -74.28 94.46 2.5 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.349 1.46 . . . . 0.0 110.31 -171.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -91.21 134.94 34.14 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 126.407 1.883 . . . . 0.0 110.516 -177.524 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -82.91 133.89 35.1 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.748 1.619 . . . . 0.0 110.035 178.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.6 m -118.73 -73.47 0.64 Allowed 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.861 1.264 . . . . 0.0 107.824 168.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -102.95 166.59 10.36 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.802 1.641 . . . . 0.0 110.552 171.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -50.57 -53.68 28.55 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.416 1.887 . . . . 0.0 111.03 169.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -79.35 -29.99 42.45 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.925 1.29 . . . . 0.0 112.591 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -112.41 92.86 4.18 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 119.521 1.055 . . . . 0.0 111.041 -174.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.72 130.38 48.1 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 162.18 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -131.01 148.81 52.8 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.805 1.242 . . . . 0.0 111.923 -173.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 91.2 m -70.71 118.78 13.94 Favored 'General case' 0 C--N 1.343 0.29 0 C-N-CA 125.821 1.648 . . . . 0.0 110.832 174.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 79.2 mt . . . . . 0 C--O 1.251 1.135 0 CA-C-O 116.912 -1.518 . . . . 0.0 110.104 -175.475 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.542 0.653 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 63.6 p -77.42 83.86 3.84 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 168.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -74.99 130.52 39.5 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 126.791 2.036 . . . . 0.0 109.541 -166.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.5 t -65.28 173.85 2.36 Favored 'General case' 0 C--N 1.344 0.36 0 CA-C-O 123.073 1.416 . . . . 0.0 112.016 -173.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 20.4 t-160 -62.2 127.02 29.37 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 112.656 -2.066 . . . . 0.0 108.082 170.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 26.0 m-90 66.59 98.93 0.05 OUTLIER 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.337 1.455 . . . . 0.0 108.562 -165.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -170.4 116.38 0.64 Allowed Glycine 0 C--N 1.34 0.796 0 N-CA-C 108.015 -2.034 . . . . 0.0 108.015 -166.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -67.77 108.76 3.08 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.51 0.724 . . . . 0.0 109.511 -171.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.1 p -89.77 -30.38 18.03 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.792 1.237 . . . . 0.0 110.83 171.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -77.48 -144.16 1.98 Allowed Glycine 0 CA--C 1.533 1.189 0 C-N-CA 125.324 1.44 . . . . 0.0 111.892 176.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.36 106.99 0.34 Allowed Glycine 0 C--N 1.342 0.863 0 C-N-CA 124.444 1.021 . . . . 0.0 110.882 176.269 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 57.6 mt -80.28 68.11 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 170.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 172.53 -59.71 0.15 Allowed Glycine 0 N--CA 1.485 1.946 0 N-CA-C 107.405 -2.278 . . . . 0.0 107.405 -164.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -62.54 126.83 28.67 Favored 'General case' 0 C--N 1.345 0.379 0 C-N-CA 125.338 1.455 . . . . 0.0 108.811 167.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.4 m -135.08 83.03 1.99 Allowed 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.757 1.223 . . . . 0.0 108.568 -177.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -169.75 -139.66 2.78 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 111.126 -0.789 . . . . 0.0 111.126 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.0 117.9 5.63 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 116.272 1.953 . . . . 0.0 116.272 -173.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.67 -28.77 15.17 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 127.091 2.156 . . . . 0.0 111.718 162.535 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.0 m -67.94 90.07 0.3 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.879 1.672 . . . . 0.0 110.923 -175.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 63.2 m -60.0 150.84 27.9 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 127.481 2.312 . . . . 0.0 110.824 172.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.0 t -75.63 173.84 10.52 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.244 0.618 . . . . 0.0 110.718 -174.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 78.2 p -59.17 114.44 2.62 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.63 1.172 . . . . 0.0 110.489 177.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 112.36 -13.92 25.6 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 125.498 1.523 . . . . 0.0 113.649 -174.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 40.3 p -129.25 145.69 51.3 Favored 'General case' 0 C--N 1.344 0.351 0 C-N-CA 125.652 1.581 . . . . 0.0 111.405 -178.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 56.5 p -128.87 152.62 48.32 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 127.473 2.309 . . . . 0.0 109.511 174.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 18.5 t -69.39 97.24 0.96 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.874 1.27 . . . . 0.0 109.86 -179.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.58 129.22 34.94 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 126.431 1.892 . . . . 0.0 109.442 177.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -93.88 133.97 36.74 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.334 1.454 . . . . 0.0 109.822 -178.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.9 m -124.08 -73.4 0.64 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.842 1.257 . . . . 0.0 107.878 168.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -103.09 166.6 10.34 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.59 1.556 . . . . 0.0 110.396 169.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -55.52 -52.04 65.02 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.827 1.651 . . . . 0.0 110.729 170.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -76.55 -31.47 57.61 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.511 1.124 . . . . 0.0 112.253 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -112.87 86.8 2.44 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.461 1.104 . . . . 0.0 109.873 -178.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.0 m -116.9 132.43 56.7 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.912 1.285 . . . . 0.0 107.866 162.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -138.0 148.75 45.46 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.815 1.246 . . . . 0.0 111.449 -165.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 86.8 m -71.99 118.33 14.71 Favored 'General case' 0 C--N 1.342 0.269 0 C-N-CA 125.624 1.57 . . . . 0.0 111.05 176.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.1 mt . . . . . 0 C--O 1.252 1.203 0 C-N-CA 125.488 1.515 . . . . 0.0 110.251 -176.37 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 90.5 p . . . . . 0 N--CA 1.475 0.798 0 N-CA-C 111.743 0.275 . . . . 0.0 111.743 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -64.21 155.81 30.66 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.959 1.303 . . . . 0.0 112.734 179.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 34.1 p -80.44 105.03 11.39 Favored 'General case' 0 C--N 1.342 0.256 0 N-CA-C 105.923 -1.88 . . . . 0.0 105.923 159.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -74.24 137.49 43.05 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.789 1.236 . . . . 0.0 109.747 -164.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.8 t -68.43 171.14 7.77 Favored 'General case' 0 C--N 1.344 0.356 0 CA-C-O 122.694 1.235 . . . . 0.0 112.181 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -62.63 130.02 43.18 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 113.005 -1.907 . . . . 0.0 108.081 166.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 28.5 m-90 64.17 96.09 0.05 OUTLIER 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.432 1.493 . . . . 0.0 109.062 -166.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -167.62 119.22 0.83 Allowed Glycine 0 C--N 1.345 1.03 0 N-CA-C 110.447 -1.061 . . . . 0.0 110.447 -171.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -69.95 111.99 6.04 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.819 1.247 . . . . 0.0 110.909 -177.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.1 p -90.35 -47.42 7.76 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 164.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -38.97 -56.36 2.18 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 127.901 2.667 . . . . 0.0 116.431 -175.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -55.33 121.13 21.27 Favored Glycine 0 C--N 1.344 1.026 0 C-N-CA 125.186 1.374 . . . . 0.0 112.493 -168.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 65.0 mt -77.74 75.47 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 125.319 1.448 . . . . 0.0 107.448 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 171.1 -40.07 0.18 Allowed Glycine 0 N--CA 1.485 1.941 0 N-CA-C 110.274 -1.131 . . . . 0.0 110.274 -161.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -51.81 153.7 2.37 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 127.097 2.159 . . . . 0.0 113.297 -176.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.4 m -78.83 69.01 4.93 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.121 1.369 . . . . 0.0 111.838 -178.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 82.38 -66.61 3.86 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 124.802 1.192 . . . . 0.0 114.592 162.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.2 p -71.14 120.54 16.86 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.71 1.204 . . . . 0.0 113.835 -161.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.01 -27.56 11.08 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 127.041 2.136 . . . . 0.0 112.438 172.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 87.7 m -72.1 86.62 1.05 Allowed 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.537 1.535 . . . . 0.0 110.474 -171.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 69.4 m -50.81 142.09 12.08 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.638 1.975 . . . . 0.0 111.012 169.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.5 t -69.24 172.67 6.61 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.955 0.902 . . . . 0.0 110.682 -173.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 84.0 p -55.81 127.53 30.59 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.899 0.88 . . . . 0.0 111.544 -179.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.86 -36.8 4.06 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 125.109 1.338 . . . . 0.0 112.284 -171.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 70.4 p -106.27 139.29 41.01 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.403 1.481 . . . . 0.0 111.074 -174.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.8 p -127.51 153.49 46.28 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.71 2.004 . . . . 0.0 109.244 167.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 36.9 t -75.48 94.61 3.15 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.362 0.665 . . . . 0.0 110.302 -172.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -81.87 128.52 34.12 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 127.322 2.249 . . . . 0.0 110.818 -177.28 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -83.34 136.64 34.28 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 126.071 1.749 . . . . 0.0 110.839 -172.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.5 m -124.83 -69.12 0.81 Allowed 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.045 1.338 . . . . 0.0 107.69 165.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -103.22 169.01 8.81 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.928 1.691 . . . . 0.0 110.015 166.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -56.09 -52.73 63.24 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.611 1.565 . . . . 0.0 110.991 169.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -81.65 -24.5 36.29 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.998 1.319 . . . . 0.0 112.674 -177.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -112.73 85.66 2.21 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.695 1.198 . . . . 0.0 109.666 175.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.9 m -116.73 120.01 37.23 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.445 1.498 . . . . 0.0 107.346 166.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -121.92 141.77 50.96 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.542 1.537 . . . . 0.0 112.052 -164.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 73.1 m -62.01 118.36 7.19 Favored 'General case' 0 C--N 1.343 0.289 0 C-N-CA 125.358 1.463 . . . . 0.0 111.109 173.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.4 mt . . . . . 0 C--O 1.251 1.163 0 CA-C-O 116.957 -1.497 . . . . 0.0 109.972 -179.53 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 66.1 m . . . . . 0 N--CA 1.475 0.822 0 CA-C-O 120.696 0.284 . . . . 0.0 111.687 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.1 p -58.68 144.0 44.86 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.629 1.572 . . . . 0.0 112.609 177.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 47.6 p -76.84 93.92 3.81 Favored 'General case' 0 C--N 1.344 0.331 0 N-CA-C 106.695 -1.594 . . . . 0.0 106.695 170.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -76.77 130.13 37.26 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 126.611 1.964 . . . . 0.0 109.346 -161.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.9 t -64.91 169.69 4.99 Favored 'General case' 0 C--N 1.343 0.308 0 CA-C-O 122.904 1.335 . . . . 0.0 111.668 -174.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -64.29 125.05 23.35 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 112.764 -2.016 . . . . 0.0 107.913 170.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 27.2 m-90 65.8 98.01 0.05 OUTLIER 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.683 1.193 . . . . 0.0 108.528 -165.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -177.4 118.32 0.63 Allowed Glycine 0 C--N 1.339 0.711 0 N-CA-C 106.933 -2.467 . . . . 0.0 106.933 -165.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -64.12 143.19 58.06 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 109.881 -0.415 . . . . 0.0 109.881 -170.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.5 p -143.45 18.03 1.87 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.135 1.774 . . . . 0.0 112.121 -173.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 174.28 140.22 3.2 Favored Glycine 0 CA--C 1.531 1.065 0 C-N-CA 125.015 1.293 . . . . 0.0 110.072 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 161.26 149.05 5.49 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 125.372 1.463 . . . . 0.0 111.125 -178.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 56.3 mt -82.62 66.51 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 C-N-CA 124.929 1.291 . . . . 0.0 107.742 177.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 172.38 -56.57 0.16 Allowed Glycine 0 N--CA 1.485 1.932 0 N-CA-C 109.501 -1.44 . . . . 0.0 109.501 -167.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -63.5 134.07 54.96 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.87 1.668 . . . . 0.0 111.503 -175.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.6 m -135.92 78.7 1.73 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.71 1.604 . . . . 0.0 108.214 177.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -163.45 -166.98 23.19 Favored Glycine 0 CA--C 1.532 1.148 0 C-N-CA 124.365 0.983 . . . . 0.0 111.756 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -56.91 122.75 12.99 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 114.919 1.452 . . . . 0.0 114.919 -177.456 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -79.97 -43.43 22.07 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.312 1.445 . . . . 0.0 111.731 163.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.6 m -59.08 92.53 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.803 2.041 . . . . 0.0 112.123 -172.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 58.9 m -59.78 151.82 24.45 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 127.634 2.374 . . . . 0.0 110.964 172.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.7 t -77.32 177.3 8.04 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 123.354 0.662 . . . . 0.0 110.604 -176.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 55.6 m -57.82 125.46 23.14 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.526 1.13 . . . . 0.0 110.793 178.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 99.59 -22.09 42.14 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 125.124 1.345 . . . . 0.0 113.755 -176.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 49.0 p -113.65 141.6 47.02 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 125.633 1.573 . . . . 0.0 110.741 -177.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 60.7 p -126.36 151.09 48.08 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.131 1.773 . . . . 0.0 109.057 173.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 41.8 t -69.45 106.8 3.09 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.262 0.625 . . . . 0.0 109.348 -178.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -104.9 175.73 5.39 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 126.844 2.057 . . . . 0.0 110.89 -178.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -132.26 136.22 46.8 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.279 1.432 . . . . 0.0 110.404 -168.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 71.9 m -116.67 -79.22 0.59 Allowed 'General case' 0 C--N 1.344 0.343 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 168.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -107.19 177.22 4.91 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.86 1.664 . . . . 0.0 111.455 167.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -64.57 -44.05 91.93 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.795 1.238 . . . . 0.0 112.832 -175.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -73.69 -29.44 62.29 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.403 1.081 . . . . 0.0 111.899 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -114.21 88.22 2.81 Favored 'General case' 0 C--N 1.344 0.364 0 C-N-CA 124.918 1.287 . . . . 0.0 110.306 -174.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.3 t -99.95 126.64 46.14 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 164.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -135.04 146.1 48.64 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.48 1.112 . . . . 0.0 112.305 -168.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 92.2 m -69.23 120.44 15.06 Favored 'General case' 0 C--N 1.343 0.321 0 C-N-CA 126.058 1.743 . . . . 0.0 111.487 175.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.6 mt . . . . . 0 C--O 1.251 1.165 0 C-N-CA 126.052 1.741 . . . . 0.0 109.719 -174.325 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 52.6 m . . . . . 0 N--CA 1.476 0.87 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.56 167.55 8.75 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.222 1.409 . . . . 0.0 112.539 177.418 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 37.2 p -103.55 115.47 30.56 Favored 'General case' 0 C--N 1.342 0.264 0 N-CA-C 105.81 -1.922 . . . . 0.0 105.81 162.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.46 141.86 28.3 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 -169.693 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.2 t -65.95 -179.58 0.75 Allowed 'General case' 0 C--N 1.344 0.335 0 CA-C-O 122.829 1.299 . . . . 0.0 111.194 178.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -61.79 126.86 28.84 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 113.467 -1.697 . . . . 0.0 107.68 167.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 26.6 m-90 67.09 98.57 0.05 Allowed 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.603 1.561 . . . . 0.0 108.954 -164.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -174.89 123.67 0.96 Allowed Glycine 0 CA--C 1.528 0.855 0 N-CA-C 107.613 -2.195 . . . . 0.0 107.613 -175.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -61.36 152.14 30.3 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.729 0.811 . . . . 0.0 112.321 -171.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.4 p -138.76 -31.45 0.72 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.424 1.49 . . . . 0.0 111.815 177.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -76.1 -171.08 31.29 Favored Glycine 0 CA--C 1.536 1.367 0 N-CA-C 111.618 -0.593 . . . . 0.0 111.618 171.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 98.46 117.02 3.73 Favored Glycine 0 C--N 1.341 0.85 0 C-N-CA 124.392 0.996 . . . . 0.0 110.702 176.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 69.3 mt -77.31 83.03 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 C-N-CA 125.25 1.42 . . . . 0.0 107.538 178.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 115.27 36.62 1.19 Allowed Glycine 0 N--CA 1.483 1.809 0 C-N-CA 124.181 0.896 . . . . 0.0 111.343 -175.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -88.53 156.53 19.03 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.455 1.502 . . . . 0.0 110.456 174.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.9 m -73.32 87.8 1.52 Allowed 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.45 1.1 . . . . 0.0 108.034 174.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -83.48 60.92 4.83 Favored Glycine 0 CA--C 1.528 0.854 0 N-CA-C 116.231 1.252 . . . . 0.0 116.231 -146.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.3 p -79.5 78.27 6.04 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 123.568 0.747 . . . . 0.0 111.804 148.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.38 -21.15 64.72 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.077 1.351 . . . . 0.0 112.952 169.082 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 61.3 m -70.59 95.36 1.08 Allowed 'General case' 0 C--N 1.346 0.414 0 C-N-CA 125.663 1.585 . . . . 0.0 110.317 -173.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 57.4 m -61.51 149.49 38.68 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.006 1.722 . . . . 0.0 110.886 172.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.9 t -75.01 172.1 12.92 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 121.097 0.475 . . . . 0.0 110.397 -176.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.7 m -66.44 99.55 0.57 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.322 1.049 . . . . 0.0 109.477 175.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 138.24 -16.47 3.41 Favored Glycine 0 CA--C 1.537 1.444 0 C-N-CA 125.696 1.617 . . . . 0.0 112.92 -171.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 17.8 p -137.89 149.88 46.62 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.867 1.667 . . . . 0.0 111.431 -177.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 44.3 p -127.96 157.73 39.78 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.342 1.857 . . . . 0.0 110.27 167.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.3 t -74.47 97.83 3.19 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.456 1.502 . . . . 0.0 109.867 -173.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -92.66 135.34 34.18 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 126.852 2.061 . . . . 0.0 110.126 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -82.81 135.62 34.91 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.649 1.58 . . . . 0.0 110.547 -177.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 67.6 m -121.53 -74.49 0.61 Allowed 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.817 1.247 . . . . 0.0 107.88 168.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -103.06 167.98 9.48 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 126.199 1.8 . . . . 0.0 110.529 170.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -55.8 -53.56 55.25 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.846 1.658 . . . . 0.0 111.014 169.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -85.25 -27.19 26.21 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.844 1.257 . . . . 0.0 112.712 -175.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -115.03 103.44 10.9 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.065 0.946 . . . . 0.0 110.398 174.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.0 m -117.22 150.54 38.58 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.601 1.161 . . . . 0.0 108.81 162.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -140.09 147.7 40.65 Favored 'General case' 0 C--N 1.345 0.381 0 C-N-CA 123.607 0.763 . . . . 0.0 112.906 -167.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 89.6 m -73.53 110.89 8.16 Favored 'General case' 0 C--N 1.341 0.201 0 C-N-CA 126.392 1.877 . . . . 0.0 110.097 173.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.8 mt . . . . . 0 C--O 1.252 1.197 0 CA-C-O 116.537 -1.697 . . . . 0.0 110.803 -172.524 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 93.5 p . . . . . 0 N--CA 1.476 0.847 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.78 137.37 58.07 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.31 1.444 . . . . 0.0 112.547 -176.51 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 53.3 p -75.91 92.82 3.14 Favored 'General case' 0 C--N 1.344 0.362 0 N-CA-C 106.791 -1.559 . . . . 0.0 106.791 171.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -79.8 129.25 34.33 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 126.103 1.761 . . . . 0.0 109.364 -160.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.9 t -65.32 170.98 4.19 Favored 'General case' 0 C--N 1.343 0.316 0 CA-C-O 122.9 1.333 . . . . 0.0 111.76 -172.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 19.5 t-160 -63.44 124.69 21.97 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 112.823 -1.989 . . . . 0.0 107.725 170.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 26.9 m-90 67.72 99.29 0.05 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.987 1.315 . . . . 0.0 108.595 -165.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -179.06 117.03 0.55 Allowed Glycine 0 C--N 1.338 0.674 0 N-CA-C 107.109 -2.396 . . . . 0.0 107.109 -166.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -63.41 143.26 57.96 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 117.059 0.429 . . . . 0.0 109.881 -171.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 27.2 p -134.78 -40.44 0.77 Allowed 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 125.326 1.451 . . . . 0.0 110.602 -173.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -117.55 138.54 14.17 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 125.542 1.544 . . . . 0.0 109.95 175.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 161.7 136.8 2.06 Favored Glycine 0 CA--C 1.529 0.933 0 C-N-CA 124.452 1.025 . . . . 0.0 111.207 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 56.5 mt -83.23 67.83 0.53 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 C-N-CA 125.136 1.374 . . . . 0.0 108.031 179.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 177.38 -60.47 0.1 OUTLIER Glycine 0 N--CA 1.485 1.941 0 N-CA-C 108.481 -1.847 . . . . 0.0 108.481 -171.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -65.46 132.05 47.96 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.911 1.685 . . . . 0.0 110.209 175.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.7 m -135.05 76.47 1.63 Allowed 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.569 1.548 . . . . 0.0 108.048 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -158.5 -162.84 12.19 Favored Glycine 0 CA--C 1.53 1.023 0 C-N-CA 124.797 1.189 . . . . 0.0 111.589 -178.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -51.86 119.03 3.84 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 125.654 1.582 . . . . 0.0 114.718 -178.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.19 -29.05 18.49 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.06 1.744 . . . . 0.0 112.545 164.177 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 39.4 m -63.47 88.12 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.611 1.965 . . . . 0.0 111.28 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 59.1 m -59.02 150.59 24.3 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 127.37 2.268 . . . . 0.0 110.779 172.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.1 t -75.99 172.14 13.25 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.353 0.661 . . . . 0.0 110.308 -175.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 79.3 p -57.91 118.62 5.55 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.333 1.053 . . . . 0.0 110.623 176.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 112.66 -22.85 16.13 Favored Glycine 0 CA--C 1.536 1.356 0 C-N-CA 125.36 1.457 . . . . 0.0 113.436 -174.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 35.1 p -122.25 145.76 47.92 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 125.886 1.674 . . . . 0.0 111.312 -177.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 64.4 p -126.67 153.22 45.69 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.6 1.96 . . . . 0.0 108.952 172.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 39.2 t -68.44 111.3 4.59 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -109.85 176.61 5.0 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 126.395 1.878 . . . . 0.0 111.471 -176.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -116.03 134.12 55.3 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.086 1.754 . . . . 0.0 109.625 -177.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 68.9 m -123.25 -70.91 0.75 Allowed 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 165.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -104.08 167.94 9.44 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.4 1.48 . . . . 0.0 110.147 163.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -57.2 -53.95 52.33 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.698 1.599 . . . . 0.0 110.628 169.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -74.93 -31.07 61.43 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.603 1.161 . . . . 0.0 112.092 -179.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -112.6 84.23 1.95 Allowed 'General case' 0 C--N 1.345 0.398 0 C-N-CA 124.632 1.173 . . . . 0.0 109.745 178.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.9 m -108.82 125.1 51.61 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.943 1.697 . . . . 0.0 107.784 171.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -135.13 151.39 50.66 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.163 1.385 . . . . 0.0 112.302 -157.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 84.3 m -69.11 117.19 10.45 Favored 'General case' 0 C--N 1.343 0.318 0 C-N-CA 125.909 1.684 . . . . 0.0 111.276 175.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.7 mt . . . . . 0 C--O 1.251 1.175 0 C-N-CA 125.878 1.671 . . . . 0.0 110.323 -175.495 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 85.3 p . . . . . 0 N--CA 1.478 0.956 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -61.66 153.88 26.84 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.971 1.308 . . . . 0.0 112.905 -177.147 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 28.6 p -85.75 104.51 15.51 Favored 'General case' 0 C--N 1.342 0.26 0 N-CA-C 105.897 -1.89 . . . . 0.0 105.897 161.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -79.34 135.59 36.76 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.85 0.86 . . . . 0.0 109.916 -159.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.5 t -62.75 170.36 2.63 Favored 'General case' 0 C--N 1.345 0.399 0 CA-C-O 123.096 1.427 . . . . 0.0 111.995 177.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 17.8 t-160 -61.41 131.29 49.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 112.503 -2.135 . . . . 0.0 108.045 168.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 26.2 m-90 67.79 97.98 0.06 Allowed 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.853 1.261 . . . . 0.0 109.154 -169.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -176.47 114.05 0.46 Allowed Glycine 0 C--N 1.343 0.939 0 N-CA-C 109.556 -1.417 . . . . 0.0 109.556 -167.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -54.81 146.08 18.13 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.558 1.543 . . . . 0.0 111.339 179.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 10.4 p -142.45 -30.82 0.54 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.878 1.271 . . . . 0.0 112.384 -175.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -133.68 92.09 0.25 Allowed Glycine 0 C--N 1.343 0.955 0 C-N-CA 126.127 1.822 . . . . 0.0 109.559 -167.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -142.27 151.44 22.94 Favored Glycine 0 CA--C 1.528 0.906 0 C-N-CA 124.835 1.207 . . . . 0.0 111.533 174.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 80.9 mt -75.11 90.27 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 N-CA-C 106.678 -1.601 . . . . 0.0 106.678 176.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 127.99 -56.22 0.74 Allowed Glycine 0 N--CA 1.482 1.724 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 -169.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -65.93 135.14 54.35 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.341 1.056 . . . . 0.0 110.744 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 75.0 m -130.88 -85.8 0.51 Allowed 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 125.317 1.447 . . . . 0.0 107.602 173.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 52.04 -155.1 4.64 Favored Glycine 0 C--N 1.346 1.111 0 C-N-CA 125.015 1.293 . . . . 0.0 114.081 172.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.1 p -71.13 89.39 0.83 Allowed 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 125.259 1.424 . . . . 0.0 111.624 168.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.67 -32.5 71.17 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.5 1.12 . . . . 0.0 112.516 172.142 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 98.0 m -71.69 108.83 5.23 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 126.438 1.895 . . . . 0.0 110.69 -174.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.5 m -53.41 168.74 0.15 Allowed 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 126.028 1.731 . . . . 0.0 113.445 166.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.1 t -89.17 175.47 7.36 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.964 1.306 . . . . 0.0 109.657 167.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.4 m -59.9 138.43 57.82 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.241 1.016 . . . . 0.0 111.552 179.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.87 -37.91 3.28 Favored Glycine 0 CA--C 1.533 1.212 0 C-N-CA 124.919 1.247 . . . . 0.0 112.726 -174.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 40.7 p -101.27 134.67 43.96 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.03 1.732 . . . . 0.0 110.215 -178.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.6 p -128.18 135.21 49.41 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 125.894 1.677 . . . . 0.0 108.225 168.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 11.7 t -64.86 126.54 28.31 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 118.439 0.563 . . . . 0.0 112.419 -164.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -112.52 172.95 6.61 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 127.685 2.394 . . . . 0.0 110.836 -174.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -106.23 131.6 53.27 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.986 1.314 . . . . 0.0 109.975 -175.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 68.6 m -119.07 -74.72 0.6 Allowed 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 168.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -103.75 169.71 8.35 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.821 1.648 . . . . 0.0 110.567 170.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -56.39 -54.79 41.45 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.478 1.511 . . . . 0.0 110.618 169.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -74.68 -31.57 61.94 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.604 1.162 . . . . 0.0 111.85 -178.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -113.4 88.89 2.94 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.644 1.177 . . . . 0.0 109.684 -177.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.8 t -95.45 104.71 16.62 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 106.381 -1.711 . . . . 0.0 106.381 168.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -96.72 146.02 25.26 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.072 1.349 . . . . 0.0 112.613 -167.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 48.3 t -70.48 119.6 14.88 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.277 1.431 . . . . 0.0 110.552 174.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 97.1 mt . . . . . 0 C--O 1.251 1.151 0 CA-C-O 116.879 -1.534 . . . . 0.0 111.535 -171.828 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 60.1 m . . . . . 0 N--CA 1.477 0.887 0 CA-C-O 121.286 0.565 . . . . 0.0 112.125 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -61.11 136.24 58.01 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.861 1.664 . . . . 0.0 112.078 -178.055 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.5 p -77.39 97.35 4.9 Favored 'General case' 0 C--N 1.345 0.389 0 N-CA-C 106.557 -1.646 . . . . 0.0 106.557 169.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -74.7 129.26 37.39 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.592 1.157 . . . . 0.0 109.497 -159.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.1 t -59.78 167.23 2.21 Favored 'General case' 0 C--N 1.345 0.409 0 CA-C-O 122.901 1.334 . . . . 0.0 112.449 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 19.2 t-160 -62.8 127.51 31.58 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 112.773 -2.012 . . . . 0.0 108.118 169.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 28.3 m-90 66.1 98.44 0.05 OUTLIER 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.733 1.613 . . . . 0.0 108.71 -166.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -173.32 120.7 0.82 Allowed Glycine 0 C--N 1.34 0.778 0 N-CA-C 108.431 -1.867 . . . . 0.0 108.431 -171.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -62.09 103.45 0.37 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.107 0.963 . . . . 0.0 110.032 -176.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.5 p -89.82 -36.44 15.11 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.334 1.454 . . . . 0.0 111.161 178.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -77.4 -178.17 47.42 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 124.12 0.867 . . . . 0.0 111.338 175.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 108.04 119.98 4.42 Favored Glycine 0 C--N 1.34 0.791 0 N-CA-C 110.272 -1.131 . . . . 0.0 110.272 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 69.5 mt -76.82 80.52 0.7 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 C-N-CA 125.216 1.406 . . . . 0.0 107.248 177.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 122.65 24.69 2.07 Favored Glycine 0 N--CA 1.483 1.804 0 C-N-CA 124.153 0.883 . . . . 0.0 112.412 -175.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -66.24 160.54 24.1 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 118.743 1.272 . . . . 0.0 111.493 171.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.9 m -75.0 67.66 1.73 Allowed 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.406 1.482 . . . . 0.0 111.749 178.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 82.34 -79.87 1.84 Allowed Glycine 0 CA--C 1.532 1.094 0 C-N-CA 125.102 1.334 . . . . 0.0 113.431 167.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.5 p -76.42 120.59 21.87 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.422 1.089 . . . . 0.0 113.743 -160.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.23 -23.8 13.59 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.861 1.664 . . . . 0.0 111.711 165.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.4 m -68.87 93.11 0.53 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.196 1.798 . . . . 0.0 110.654 -175.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 64.0 m -59.57 144.93 46.16 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 126.597 1.959 . . . . 0.0 110.797 172.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.3 t -73.56 172.53 11.18 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.449 0.699 . . . . 0.0 110.742 -175.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 54.0 m -59.52 124.09 18.95 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.975 0.91 . . . . 0.0 110.653 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 110.5 -37.43 3.75 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 125.214 1.388 . . . . 0.0 111.784 -170.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 37.6 p -109.54 143.07 39.72 Favored 'General case' 0 C--N 1.344 0.345 0 C-N-CA 125.399 1.48 . . . . 0.0 111.675 -175.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.4 p -127.48 158.8 36.42 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.185 1.794 . . . . 0.0 109.984 168.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 46.3 t -76.69 93.95 3.73 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.503 1.521 . . . . 0.0 110.465 -170.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -90.67 131.93 36.07 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 126.791 2.036 . . . . 0.0 111.052 -175.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -76.44 135.17 39.42 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 126.03 1.732 . . . . 0.0 110.902 -177.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.7 m -123.72 -71.14 0.73 Allowed 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.039 1.336 . . . . 0.0 107.501 165.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -103.2 168.87 8.9 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.712 1.605 . . . . 0.0 110.178 164.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -56.93 -54.69 43.78 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.708 1.603 . . . . 0.0 110.692 169.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -79.13 -28.43 42.87 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.446 1.099 . . . . 0.0 112.663 -177.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -112.77 90.1 3.25 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.477 1.111 . . . . 0.0 109.589 176.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.2 t -103.92 140.81 37.18 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 107.054 -1.461 . . . . 0.0 107.054 161.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -130.49 146.28 52.0 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.54 1.136 . . . . 0.0 111.745 -170.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 94.8 m -72.84 114.64 11.21 Favored 'General case' 0 C--N 1.341 0.231 0 C-N-CA 125.62 1.568 . . . . 0.0 110.533 175.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 76.5 mt . . . . . 0 C--O 1.251 1.152 0 CA-C-O 116.776 -1.583 . . . . 0.0 110.337 -174.14 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 69.0 m . . . . . 0 N--CA 1.475 0.802 0 N-CA-C 111.325 0.12 . . . . 0.0 111.325 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -62.14 160.25 13.14 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.473 1.509 . . . . 0.0 112.819 175.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 39.3 p -86.46 100.54 12.43 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 106.361 -1.718 . . . . 0.0 106.361 162.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -90.57 128.53 36.61 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 126.079 1.752 . . . . 0.0 108.939 -161.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.9 t -66.56 173.35 3.43 Favored 'General case' 0 C--N 1.347 0.474 0 CA-C-O 122.735 1.255 . . . . 0.0 113.26 -165.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 20.7 t-160 -57.88 126.58 28.04 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 112.768 -2.015 . . . . 0.0 108.037 166.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 25.7 m-90 64.98 96.95 0.05 OUTLIER 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.788 1.235 . . . . 0.0 109.263 -166.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -171.15 114.14 0.52 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 108.139 -1.984 . . . . 0.0 108.139 -171.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.95 105.43 1.32 Allowed 'General case' 0 C--N 1.34 0.177 0 C-N-CA 125.634 1.573 . . . . 0.0 109.204 -173.079 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.2 p -92.96 -55.82 3.21 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 126.275 1.83 . . . . 0.0 110.732 -173.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -112.46 76.47 0.23 Allowed Glycine 0 CA--C 1.531 1.054 0 C-N-CA 123.941 0.782 . . . . 0.0 112.19 -166.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -138.12 142.26 13.0 Favored Glycine 0 CA--C 1.531 1.045 0 C-N-CA 124.635 1.112 . . . . 0.0 111.24 -175.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 58.0 mt -83.16 69.31 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 C-N-CA 125.168 1.387 . . . . 0.0 108.328 -178.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 178.75 -61.55 0.08 OUTLIER Glycine 0 N--CA 1.485 1.94 0 N-CA-C 107.951 -2.06 . . . . 0.0 107.951 -173.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -67.54 125.27 25.63 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 126.051 1.741 . . . . 0.0 109.079 172.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 71.2 m -137.03 90.29 2.52 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.759 1.224 . . . . 0.0 109.677 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -168.88 -109.13 0.21 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.346 -1.102 . . . . 0.0 110.346 173.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -88.83 103.87 16.39 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 126.296 1.838 . . . . 0.0 113.593 -176.153 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.47 -45.63 68.57 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.066 1.347 . . . . 0.0 110.433 163.377 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 93.0 m -59.22 104.63 0.26 Allowed 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 126.924 2.09 . . . . 0.0 112.291 -164.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.1 m -50.26 158.51 0.56 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.757 1.623 . . . . 0.0 113.243 166.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.0 t -78.0 172.01 14.14 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.316 0.647 . . . . 0.0 109.334 164.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 57.1 m -60.95 138.9 58.14 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.859 0.864 . . . . 0.0 111.688 -179.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.35 -40.19 2.55 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 124.986 1.279 . . . . 0.0 111.989 -174.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.9 p -99.52 146.67 26.13 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.396 1.478 . . . . 0.0 111.037 -176.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.6 p -128.01 148.05 50.52 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 126.402 1.881 . . . . 0.0 109.848 175.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 44.8 t -65.78 108.93 2.28 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.59 0.756 . . . . 0.0 109.217 178.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -108.75 176.78 4.98 Favored 'General case' 0 C--N 1.34 0.183 0 C-N-CA 127.494 2.317 . . . . 0.0 110.352 -178.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -127.32 134.02 50.05 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.062 1.345 . . . . 0.0 110.56 -170.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.5 m -124.58 -73.09 0.65 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.023 1.329 . . . . 0.0 107.805 166.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -103.12 168.02 9.45 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.411 1.485 . . . . 0.0 110.576 169.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -54.7 -57.08 12.91 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 126.231 1.812 . . . . 0.0 110.85 172.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -76.47 -31.07 57.56 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.987 1.315 . . . . 0.0 112.295 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -110.38 73.99 0.86 Allowed 'General case' 0 C--N 1.347 0.467 0 C-N-CA 124.404 1.081 . . . . 0.0 109.31 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.9 m -98.14 116.12 29.71 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.663 1.185 . . . . 0.0 107.83 165.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -116.87 149.44 40.06 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.138 1.375 . . . . 0.0 112.559 -163.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 52.0 t -71.22 119.83 15.92 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 126.003 1.721 . . . . 0.0 110.427 174.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.4 mt . . . . . 0 C--O 1.25 1.108 0 C-N-CA 125.011 1.324 . . . . 0.0 110.974 -170.445 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.7 t . . . . . 0 N--CA 1.474 0.756 0 CA-C-O 120.862 0.363 . . . . 0.0 111.54 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.96 129.82 41.11 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.333 1.453 . . . . 0.0 110.851 177.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 66.5 p -73.3 92.26 1.78 Allowed 'General case' 0 C--N 1.346 0.429 0 N-CA-C 107.033 -1.469 . . . . 0.0 107.033 172.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -89.89 132.52 35.25 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.882 1.673 . . . . 0.0 109.069 -160.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.5 t -63.86 173.47 1.79 Allowed 'General case' 0 C--N 1.346 0.423 0 CA-C-O 122.985 1.374 . . . . 0.0 112.854 -168.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 18.7 t-160 -61.24 127.43 31.47 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 112.601 -2.091 . . . . 0.0 107.8 167.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 26.9 m-90 65.79 98.35 0.05 OUTLIER 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.155 1.382 . . . . 0.0 108.779 -165.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -171.51 115.06 0.56 Allowed Glycine 0 C--N 1.339 0.737 0 N-CA-C 107.551 -2.22 . . . . 0.0 107.551 -168.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -61.29 112.89 2.33 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.511 0.724 . . . . 0.0 109.442 -171.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.7 p -111.96 33.27 4.91 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.186 1.394 . . . . 0.0 111.665 -175.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 161.45 133.79 1.54 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 109.868 -1.293 . . . . 0.0 109.868 -177.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 164.8 146.13 4.65 Favored Glycine 0 CA--C 1.529 0.914 0 C-N-CA 124.985 1.279 . . . . 0.0 111.381 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 87.5 mt -72.95 97.11 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 175.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 135.77 -59.97 0.64 Allowed Glycine 0 N--CA 1.481 1.675 0 N-CA-C 109.17 -1.572 . . . . 0.0 109.17 -171.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -69.58 116.44 9.99 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.131 0.973 . . . . 0.0 109.359 177.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.3 m -136.38 85.74 2.17 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.233 1.413 . . . . 0.0 108.563 179.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -168.32 -127.86 0.95 Allowed Glycine 0 CA--C 1.531 1.052 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -70.26 99.84 1.6 Allowed 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 125.846 1.658 . . . . 0.0 114.031 -176.397 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.31 -21.67 42.33 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.396 1.478 . . . . 0.0 112.889 157.269 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 41.7 m -64.26 91.0 0.07 Allowed 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 126.4 1.88 . . . . 0.0 111.179 -179.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 62.4 m -64.77 146.43 54.82 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.556 1.942 . . . . 0.0 110.695 173.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.3 t -73.13 172.09 11.73 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.26 0.624 . . . . 0.0 110.762 -173.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 64.7 m -64.49 104.37 0.78 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.457 1.103 . . . . 0.0 109.695 176.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 132.29 -18.86 4.65 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 125.69 1.614 . . . . 0.0 112.978 -171.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.3 p -134.35 148.91 50.79 Favored 'General case' 0 C--N 1.344 0.329 0 C-N-CA 126.083 1.753 . . . . 0.0 111.26 -177.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 80.1 p -125.75 151.98 45.97 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.529 1.932 . . . . 0.0 108.606 171.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 40.8 t -69.63 110.16 4.7 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -177.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -105.17 173.77 6.16 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 126.711 2.004 . . . . 0.0 110.662 178.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -126.39 132.73 51.48 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 125.219 1.408 . . . . 0.0 110.273 -171.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 44.9 t -119.64 -75.56 0.58 Allowed 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.188 1.395 . . . . 0.0 107.718 168.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -104.02 166.16 10.59 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.986 1.714 . . . . 0.0 110.762 174.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -55.64 -51.29 67.72 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.005 1.722 . . . . 0.0 110.902 170.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -74.69 -31.79 62.0 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.622 1.169 . . . . 0.0 112.014 178.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -113.69 87.33 2.59 Favored 'General case' 0 C--N 1.345 0.411 0 C-N-CA 124.278 1.031 . . . . 0.0 110.516 -176.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.2 t -93.41 138.65 31.53 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 106.931 -1.507 . . . . 0.0 106.931 161.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -144.5 146.38 32.38 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 119.169 0.895 . . . . 0.0 113.084 -170.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 94.6 m -69.29 116.74 10.07 Favored 'General case' 0 C--N 1.345 0.372 0 C-N-CA 126.519 1.928 . . . . 0.0 111.286 175.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.3 mt . . . . . 0 C--O 1.252 1.189 0 CA-C-O 116.838 -1.553 . . . . 0.0 110.512 -176.854 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 84.1 p . . . . . 0 N--CA 1.478 0.927 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.61 151.88 27.77 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.587 1.155 . . . . 0.0 112.595 -177.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 36.6 p -82.38 98.1 8.68 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 163.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -74.27 135.57 42.64 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.347 1.459 . . . . 0.0 109.814 -164.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.1 t -65.32 173.23 2.67 Favored 'General case' 0 C--N 1.345 0.391 0 CA-C-O 122.943 1.354 . . . . 0.0 112.028 178.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 20.3 t-160 -66.21 127.26 31.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 112.822 -1.99 . . . . 0.0 108.204 171.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 28.1 m-90 66.47 97.45 0.05 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.884 1.274 . . . . 0.0 109.137 -169.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -174.38 114.31 0.5 Allowed Glycine 0 C--N 1.339 0.713 0 N-CA-C 106.902 -2.479 . . . . 0.0 106.902 -170.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -56.42 104.24 0.14 Allowed 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.317 1.047 . . . . 0.0 109.715 -177.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 24.3 p -91.84 -47.68 7.2 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.938 1.295 . . . . 0.0 110.638 -173.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -103.86 -145.14 14.3 Favored Glycine 0 CA--C 1.531 1.047 0 C-N-CA 125.042 1.305 . . . . 0.0 110.152 -179.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 84.45 136.45 3.36 Favored Glycine 0 CA--C 1.531 1.049 0 C-N-CA 124.039 0.828 . . . . 0.0 112.124 167.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 89.1 mt -67.64 124.45 23.07 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 C-N-CA 124.787 1.235 . . . . 0.0 108.977 -178.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 119.27 -47.32 1.04 Allowed Glycine 0 N--CA 1.483 1.832 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -178.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -60.38 141.76 55.85 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.949 1.3 . . . . 0.0 112.225 -172.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.4 m -136.47 84.4 2.07 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.345 1.458 . . . . 0.0 108.573 177.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -179.67 -169.38 39.92 Favored Glycine 0 CA--C 1.534 1.241 0 C-N-CA 123.6 0.619 . . . . 0.0 112.607 179.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -50.04 124.53 10.28 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 127.632 2.373 . . . . 0.0 114.37 -179.359 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.3 mtmm -93.01 -48.46 6.5 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.257 1.423 . . . . 0.0 109.549 173.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 90.1 m -59.26 103.04 0.15 Allowed 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 126.492 1.917 . . . . 0.0 111.062 -171.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.9 m -51.75 167.57 0.1 Allowed 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.805 2.042 . . . . 0.0 113.269 169.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.8 t -86.29 177.85 7.35 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.052 0.941 . . . . 0.0 109.551 168.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.1 t -60.7 136.69 58.14 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.252 1.021 . . . . 0.0 111.332 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.62 -33.51 5.13 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 124.903 1.239 . . . . 0.0 113.203 -176.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.4 p -101.47 144.61 30.04 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.711 1.605 . . . . 0.0 111.105 -176.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 81.5 p -127.7 145.41 50.91 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 127.541 2.336 . . . . 0.0 109.635 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 51.5 t -68.72 119.59 13.36 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 178.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -125.75 170.67 11.34 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 127.138 2.175 . . . . 0.0 110.776 -173.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -109.87 136.1 49.71 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 126.384 1.874 . . . . 0.0 109.432 -178.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.8 t -118.71 -74.33 0.61 Allowed 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.93 1.292 . . . . 0.0 107.895 169.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -102.66 168.26 9.37 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 126.251 1.82 . . . . 0.0 110.596 171.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -53.9 -53.78 47.86 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 126.206 1.803 . . . . 0.0 111.095 170.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -81.85 -29.26 32.61 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.043 1.337 . . . . 0.0 112.79 -177.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -115.44 104.57 11.89 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.375 1.47 . . . . 0.0 110.747 -179.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 57.2 m -115.22 115.82 27.32 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 125.93 1.692 . . . . 0.0 108.19 175.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -108.57 149.32 29.03 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.379 1.472 . . . . 0.0 113.709 -163.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 52.9 t -75.01 122.79 24.06 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.092 1.757 . . . . 0.0 110.191 171.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.9 mt . . . . . 0 C--O 1.251 1.139 0 CA-C-O 117.149 -1.405 . . . . 0.0 111.258 -166.973 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 66.5 m . . . . . 0 N--CA 1.476 0.843 0 CA-C-O 121.016 0.436 . . . . 0.0 112.066 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 p -70.62 86.08 0.64 Allowed 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 126.302 1.841 . . . . 0.0 110.276 173.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 66.5 p -52.34 108.51 0.3 Allowed 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.294 1.037 . . . . 0.0 109.599 -169.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -86.76 119.56 27.12 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 -150.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.9 t -57.02 167.09 0.88 Allowed 'General case' 0 C--N 1.347 0.469 0 CA-C-O 122.922 1.344 . . . . 0.0 112.426 -178.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 19.3 t-160 -58.79 127.7 33.5 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 112.773 -2.012 . . . . 0.0 108.408 175.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 27.6 m-90 66.38 99.61 0.05 OUTLIER 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.278 1.431 . . . . 0.0 108.26 -163.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -166.27 112.51 0.5 Allowed Glycine 0 C--N 1.341 0.842 0 N-CA-C 107.722 -2.151 . . . . 0.0 107.722 -167.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -75.05 104.1 5.49 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 -168.619 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.1 p -96.76 -38.55 9.84 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 127.146 2.179 . . . . 0.0 111.465 -173.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -41.14 -65.75 1.04 Allowed Glycine 0 CA--C 1.536 1.39 0 C-N-CA 127.992 2.71 . . . . 0.0 116.829 -175.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -42.66 127.21 4.81 Favored Glycine 0 C--N 1.345 1.056 0 C-N-CA 126.407 1.956 . . . . 0.0 115.733 -159.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 72.0 mt -74.28 87.71 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 N-CA-C 105.347 -2.094 . . . . 0.0 105.347 165.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 142.25 -49.59 0.74 Allowed Glycine 0 N--CA 1.483 1.786 0 N-CA-C 109.361 -1.495 . . . . 0.0 109.361 -164.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -63.68 123.55 19.14 Favored 'General case' 0 C--N 1.347 0.457 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 167.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.7 m -135.56 177.65 7.66 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.315 1.046 . . . . 0.0 112.088 -173.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 87.16 -79.37 1.8 Allowed Glycine 0 C--N 1.342 0.882 0 N-CA-C 109.439 -1.464 . . . . 0.0 109.439 -175.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.5 p -118.98 87.36 2.72 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 125.936 1.694 . . . . 0.0 113.448 -170.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.08 -20.76 60.89 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.222 152.639 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 84.9 m -74.35 103.52 4.76 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 126.197 1.799 . . . . 0.0 110.839 -173.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 67.2 m -64.42 154.29 36.12 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.757 2.023 . . . . 0.0 111.288 170.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.4 t -77.55 173.74 11.66 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 121.226 0.536 . . . . 0.0 110.354 -177.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.7 t -60.08 126.3 27.01 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.924 0.89 . . . . 0.0 110.679 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 106.39 -36.48 4.37 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 125.13 1.348 . . . . 0.0 112.045 -172.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 36.8 p -107.72 142.56 37.53 Favored 'General case' 0 C--N 1.344 0.357 0 C-N-CA 125.219 1.408 . . . . 0.0 111.368 -175.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.8 p -128.18 157.94 39.43 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.01 1.724 . . . . 0.0 110.296 168.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 40.9 t -74.82 91.44 2.43 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.974 1.71 . . . . 0.0 110.321 -171.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -88.22 127.85 35.45 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 126.782 2.033 . . . . 0.0 111.101 -175.39 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -81.54 135.04 35.58 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 126.257 1.823 . . . . 0.0 111.257 -171.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.3 m -121.92 -70.89 0.76 Allowed 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.327 1.451 . . . . 0.0 107.425 166.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -102.5 171.98 7.13 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.844 1.658 . . . . 0.0 110.001 166.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -58.93 -55.99 28.01 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.84 1.256 . . . . 0.0 110.441 168.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -79.76 -26.38 40.73 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.5 1.12 . . . . 0.0 112.635 -174.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -112.58 94.28 4.84 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.995 1.318 . . . . 0.0 109.341 174.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.0 t -115.76 143.5 45.3 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 106.883 -1.525 . . . . 0.0 106.883 162.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -135.38 145.59 47.49 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.951 0.9 . . . . 0.0 111.846 -168.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 87.2 m -71.38 115.81 10.98 Favored 'General case' 0 C--N 1.341 0.224 0 C-N-CA 125.578 1.551 . . . . 0.0 110.516 176.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 78.6 mt . . . . . 0 C--O 1.251 1.18 0 C-N-CA 125.144 1.377 . . . . 0.0 110.116 -174.777 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 88.0 p . . . . . 0 N--CA 1.475 0.813 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -56.82 147.51 23.08 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.698 1.199 . . . . 0.0 111.398 171.683 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 64.3 p -77.71 85.57 4.02 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 106.956 -1.498 . . . . 0.0 106.956 168.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -74.6 129.81 38.4 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 126.712 2.005 . . . . 0.0 109.314 -166.085 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.8 t -67.1 174.4 3.15 Favored 'General case' 0 C--N 1.343 0.32 0 CA-C-O 122.998 1.38 . . . . 0.0 111.982 -171.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -64.4 125.78 25.7 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 112.581 -2.1 . . . . 0.0 108.119 170.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 27.1 m-90 66.03 97.42 0.05 OUTLIER 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.182 1.393 . . . . 0.0 108.533 -166.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -177.64 123.76 0.9 Allowed Glycine 0 C--N 1.34 0.777 0 N-CA-C 107.814 -2.115 . . . . 0.0 107.814 -165.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -69.79 151.2 46.04 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 117.001 0.4 . . . . 0.0 110.636 -171.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.0 p -143.15 -46.89 0.3 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.253 1.421 . . . . 0.0 110.511 -174.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -116.32 60.82 0.42 Allowed Glycine 0 CA--C 1.534 1.248 0 C-N-CA 124.444 1.021 . . . . 0.0 112.483 -170.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -110.08 135.54 12.94 Favored Glycine 0 C--N 1.343 0.925 0 C-N-CA 124.351 0.976 . . . . 0.0 110.946 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 52.3 mt -83.4 64.51 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 C-N-CA 124.897 1.279 . . . . 0.0 107.62 175.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 168.8 -62.24 0.19 Allowed Glycine 0 N--CA 1.486 1.989 0 N-CA-C 107.857 -2.097 . . . . 0.0 107.857 -167.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -62.86 124.29 20.68 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.758 1.623 . . . . 0.0 109.363 172.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.5 m -130.52 75.0 1.63 Allowed 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.282 1.433 . . . . 0.0 108.342 -176.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -157.79 -164.07 13.46 Favored Glycine 0 CA--C 1.532 1.127 0 C-N-CA 124.768 1.175 . . . . 0.0 111.576 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -41.56 118.35 1.06 Allowed 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 126.366 1.866 . . . . 0.0 115.939 -178.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.38 -33.23 16.13 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.548 1.939 . . . . 0.0 111.118 168.207 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 33.1 m -64.68 87.43 0.06 Allowed 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.84 2.056 . . . . 0.0 111.479 -173.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 59.9 m -56.98 146.67 26.22 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 127.123 2.169 . . . . 0.0 110.312 170.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.1 t -72.37 173.35 8.86 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.021 0.529 . . . . 0.0 110.494 -174.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.8 t -58.06 119.12 6.23 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.226 1.01 . . . . 0.0 110.657 179.175 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 107.17 -17.08 38.11 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 125.437 1.494 . . . . 0.0 113.858 -175.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 45.1 p -119.17 144.77 46.5 Favored 'General case' 0 C--N 1.344 0.358 0 C-N-CA 125.673 1.589 . . . . 0.0 111.061 -177.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 74.2 p -127.31 144.85 50.97 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 127.26 2.224 . . . . 0.0 109.343 179.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 36.3 t -68.01 101.13 1.07 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.072 0.949 . . . . 0.0 108.808 177.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -105.63 118.24 36.08 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 126.555 1.942 . . . . 0.0 109.426 -173.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -73.57 134.23 43.71 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.359 1.464 . . . . 0.0 110.133 177.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.3 t -120.55 -73.32 0.65 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.933 1.293 . . . . 0.0 107.768 169.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -102.49 168.02 9.56 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.605 1.562 . . . . 0.0 110.152 170.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -62.16 -45.72 92.18 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.169 0.988 . . . . 0.0 111.597 174.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -78.59 -34.15 47.05 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.297 1.039 . . . . 0.0 112.163 176.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -112.35 90.97 3.49 Favored 'General case' 0 C--N 1.348 0.51 0 CA-C-N 119.591 1.087 . . . . 0.0 110.135 -175.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 67.5 m -118.82 122.43 42.36 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.637 1.575 . . . . 0.0 108.467 172.146 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -129.33 147.93 51.2 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.773 1.229 . . . . 0.0 112.828 -160.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 88.3 m -70.5 119.06 14.1 Favored 'General case' 0 C--N 1.343 0.313 0 C-N-CA 125.906 1.682 . . . . 0.0 110.677 173.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 91.2 mt . . . . . 0 C--O 1.251 1.149 0 C-N-CA 125.763 1.625 . . . . 0.0 109.981 -173.289 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 27.7 t . . . . . 0 N--CA 1.475 0.819 0 CA-C-O 120.055 -0.021 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -69.31 174.86 4.35 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.109 1.364 . . . . 0.0 113.013 -178.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 37.5 p -98.93 118.52 35.87 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 105.351 -2.092 . . . . 0.0 105.351 156.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.68 142.33 37.23 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 -168.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.5 t -68.07 179.11 1.6 Allowed 'General case' 0 C--N 1.344 0.363 0 CA-C-O 122.637 1.208 . . . . 0.0 111.27 -178.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 21.6 t-160 -62.16 125.0 22.35 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 113.58 -1.646 . . . . 0.0 107.741 167.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 25.5 m-90 64.91 96.63 0.05 OUTLIER 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.017 1.327 . . . . 0.0 109.145 -163.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -165.79 113.84 0.56 Allowed Glycine 0 C--N 1.341 0.835 0 N-CA-C 106.878 -2.489 . . . . 0.0 106.878 -173.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -69.51 101.12 1.53 Allowed 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 124.287 1.035 . . . . 0.0 109.196 -170.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 24.0 p -93.93 -44.02 8.28 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 126.312 1.845 . . . . 0.0 112.017 -165.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -84.58 -107.41 0.62 Allowed Glycine 0 CA--C 1.532 1.14 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 -178.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 74.64 126.88 0.16 Allowed Glycine 0 CA--C 1.53 1.029 0 C-N-CA 125.264 1.412 . . . . 0.0 113.517 166.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 48.5 mt -84.15 62.08 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 C-N-CA 124.678 1.191 . . . . 0.0 107.967 173.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 178.53 -64.54 0.08 OUTLIER Glycine 0 N--CA 1.487 2.033 0 N-CA-C 108.999 -1.64 . . . . 0.0 108.999 -170.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -67.0 127.36 32.29 Favored 'General case' 0 C--N 1.344 0.367 0 C-N-CA 125.52 1.528 . . . . 0.0 109.274 176.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.1 m -135.5 78.9 1.75 Allowed 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 125.239 1.416 . . . . 0.0 108.227 178.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -154.23 -135.44 2.09 Favored Glycine 0 CA--C 1.53 0.974 0 C-N-CA 124.637 1.113 . . . . 0.0 110.398 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.2 p -74.56 117.94 16.96 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.076 1.35 . . . . 0.0 113.723 -175.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.13 -15.74 14.59 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 127.182 2.193 . . . . 0.0 113.73 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.4 m -75.85 90.21 2.92 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.644 1.178 . . . . 0.0 110.061 -173.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 61.5 m -58.08 140.81 51.86 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 126.247 1.819 . . . . 0.0 110.725 176.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.8 t -72.29 175.18 6.34 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 121.227 0.537 . . . . 0.0 111.187 -173.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.2 t -57.09 127.63 32.9 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.144 0.978 . . . . 0.0 111.096 -178.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.42 -36.67 4.12 Favored Glycine 0 CA--C 1.535 1.337 0 C-N-CA 125.063 1.316 . . . . 0.0 112.101 -171.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 60.3 p -104.48 143.63 32.77 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 125.202 1.401 . . . . 0.0 111.543 -174.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 65.8 p -125.55 153.56 43.47 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 126.518 1.927 . . . . 0.0 108.944 174.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 52.4 t -71.2 107.06 4.03 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 -178.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -105.21 179.06 4.38 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.39 1.876 . . . . 0.0 111.154 -176.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -135.57 133.82 38.74 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.582 1.553 . . . . 0.0 109.483 -175.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 73.7 m -123.7 -77.72 0.59 Allowed 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 169.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -106.03 163.0 13.11 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.911 1.684 . . . . 0.0 110.22 165.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -47.77 -60.55 2.49 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 127.339 2.255 . . . . 0.0 113.038 -176.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -74.02 -27.55 61.01 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.639 1.176 . . . . 0.0 112.25 -175.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -110.65 69.7 0.7 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.878 1.671 . . . . 0.0 109.653 -178.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 69.0 m -97.41 105.75 17.95 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 127.128 2.171 . . . . 0.0 106.699 172.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -121.94 152.73 39.37 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.531 1.133 . . . . 0.0 112.984 -156.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 91.8 m -70.44 116.61 10.98 Favored 'General case' 0 C--N 1.344 0.328 0 C-N-CA 125.552 1.541 . . . . 0.0 111.125 174.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.3 mt . . . . . 0 C--O 1.252 1.206 0 C-N-CA 125.791 1.636 . . . . 0.0 109.821 -174.179 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 80.5 p . . . . . 0 N--CA 1.475 0.778 0 N-CA-C 111.593 0.219 . . . . 0.0 111.593 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -47.86 138.03 9.18 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.399 1.88 . . . . 0.0 112.76 175.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 77.1 p -74.04 91.72 2.08 Favored 'General case' 0 C--N 1.344 0.368 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 174.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -86.4 132.76 33.87 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 126.74 2.016 . . . . 0.0 108.844 -164.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.5 t -68.87 176.86 2.85 Favored 'General case' 0 C--N 1.345 0.393 0 CA-C-O 122.917 1.341 . . . . 0.0 112.582 -166.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 20.6 t-160 -64.65 126.63 28.52 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 112.674 -2.057 . . . . 0.0 108.076 169.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 25.8 m-90 65.44 98.19 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.071 1.348 . . . . 0.0 108.903 -166.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -177.35 114.57 0.47 Allowed Glycine 0 C--N 1.339 0.718 0 N-CA-C 107.38 -2.288 . . . . 0.0 107.38 -167.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -57.25 140.46 49.77 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.357 0.663 . . . . 0.0 109.706 -179.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.7 p -135.38 -42.35 0.71 Allowed 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.231 1.412 . . . . 0.0 110.473 -169.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -101.32 -137.15 9.61 Favored Glycine 0 CA--C 1.532 1.114 0 N-CA-C 109.062 -1.615 . . . . 0.0 109.062 169.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.84 127.41 0.64 Allowed Glycine 0 CA--C 1.532 1.148 0 C-N-CA 124.209 0.909 . . . . 0.0 112.04 175.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 83.1 mt -70.78 115.15 9.95 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 C-N-CA 124.549 1.14 . . . . 0.0 108.554 178.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 126.12 -55.79 0.73 Allowed Glycine 0 N--CA 1.482 1.717 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 -177.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -65.11 122.44 17.06 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.051 1.341 . . . . 0.0 109.886 178.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 64.4 m -130.86 72.44 1.5 Allowed 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.603 1.561 . . . . 0.0 108.257 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -151.91 -168.61 16.44 Favored Glycine 0 CA--C 1.531 1.042 0 C-N-CA 125.255 1.407 . . . . 0.0 111.189 179.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -42.34 118.46 1.18 Allowed 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 116.189 1.922 . . . . 0.0 116.189 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.4 -27.85 16.49 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 127.151 2.18 . . . . 0.0 112.148 169.275 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 52.2 m -65.61 89.94 0.11 Allowed 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.073 1.749 . . . . 0.0 110.789 -176.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 62.0 m -61.62 141.1 58.01 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 126.764 2.026 . . . . 0.0 110.02 171.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.7 t -69.62 171.77 8.45 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.184 0.594 . . . . 0.0 110.432 -174.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.9 t -58.21 124.42 19.35 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.758 0.823 . . . . 0.0 110.961 -179.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 109.56 -36.51 4.27 Favored Glycine 0 CA--C 1.536 1.385 0 C-N-CA 125.259 1.409 . . . . 0.0 111.974 -171.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 49.3 p -107.51 145.7 32.77 Favored 'General case' 0 C--N 1.344 0.36 0 C-N-CA 125.423 1.489 . . . . 0.0 111.577 -174.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 81.3 p -126.08 152.36 45.95 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 126.708 2.003 . . . . 0.0 109.112 174.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 43.4 t -69.27 110.37 4.59 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 179.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -106.19 178.84 4.44 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 126.281 1.832 . . . . 0.0 111.088 -177.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -144.12 131.38 20.76 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.38 1.472 . . . . 0.0 109.289 -170.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 43.8 t -110.87 -77.32 0.59 Allowed 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 106.814 -1.55 . . . . 0.0 106.814 169.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -106.2 -179.06 3.83 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.741 1.616 . . . . 0.0 111.219 165.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -54.8 -59.19 5.07 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.922 1.689 . . . . 0.0 112.059 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -74.79 -25.63 59.19 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.523 1.529 . . . . 0.0 112.547 -172.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -110.17 86.96 2.4 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.716 1.207 . . . . 0.0 109.137 -176.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 72.8 m -116.14 107.51 14.99 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 126.359 1.863 . . . . 0.0 107.79 175.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -123.57 150.73 43.71 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.433 1.493 . . . . 0.0 112.014 -163.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 68.8 m -70.54 118.33 13.21 Favored 'General case' 0 C--N 1.344 0.345 0 C-N-CA 125.641 1.577 . . . . 0.0 110.933 174.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.0 mt . . . . . 0 C--O 1.252 1.186 0 C-N-CA 125.773 1.629 . . . . 0.0 109.965 -175.042 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 33.9 t . . . . . 0 N--CA 1.475 0.781 0 N-CA-C 110.897 -0.038 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.85 153.69 20.24 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.953 1.301 . . . . 0.0 112.0 175.194 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.3 p -78.67 90.34 4.59 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 106.925 -1.509 . . . . 0.0 106.925 166.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -84.31 134.35 34.51 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 126.426 1.891 . . . . 0.0 109.023 -167.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.4 t -65.84 172.92 3.2 Favored 'General case' 0 C--N 1.346 0.435 0 CA-C-O 122.957 1.361 . . . . 0.0 112.971 -168.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 22.2 t-160 -61.31 128.34 35.89 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 112.605 -2.088 . . . . 0.0 108.215 166.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 26.0 m-90 64.62 96.78 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.124 1.37 . . . . 0.0 108.94 -167.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -168.79 112.92 0.5 Allowed Glycine 0 C--N 1.34 0.765 0 N-CA-C 108.068 -2.013 . . . . 0.0 108.068 -168.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -63.85 108.98 1.6 Allowed 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.476 0.711 . . . . 0.0 109.142 -175.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.0 p -89.09 -52.72 4.93 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.118 1.367 . . . . 0.0 108.853 176.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -108.29 133.72 11.82 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 125.206 1.384 . . . . 0.0 109.66 174.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 167.12 131.45 1.27 Allowed Glycine 0 CA--C 1.53 1.022 0 N-CA-C 108.893 -1.683 . . . . 0.0 108.893 -178.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 69.5 mt -78.85 76.41 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 C-N-CA 124.809 1.244 . . . . 0.0 108.592 -172.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 175.21 -59.79 0.11 Allowed Glycine 0 N--CA 1.484 1.894 0 N-CA-C 108.032 -2.027 . . . . 0.0 108.032 -171.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -75.67 130.86 39.41 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.327 1.851 . . . . 0.0 109.929 177.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 71.1 m -136.93 89.87 2.48 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.481 1.512 . . . . 0.0 108.487 175.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -170.36 -133.49 1.61 Allowed Glycine 0 CA--C 1.531 1.035 0 N-CA-C 111.271 -0.731 . . . . 0.0 111.271 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -62.87 106.48 0.82 Allowed 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 126.836 2.054 . . . . 0.0 115.725 -179.727 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -80.01 -29.9 39.49 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.506 1.522 . . . . 0.0 112.083 160.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 51.1 m -63.71 92.43 0.07 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.614 1.566 . . . . 0.0 111.303 -173.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 62.3 m -64.83 144.49 57.23 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 127.229 2.212 . . . . 0.0 110.169 174.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.5 t -72.16 180.0 3.08 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.711 0.804 . . . . 0.0 111.231 -173.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.7 m -55.68 122.38 11.25 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.865 1.266 . . . . 0.0 111.018 178.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.79 8.86 69.19 Favored Glycine 0 CA--C 1.539 1.538 0 C-N-CA 125.223 1.392 . . . . 0.0 114.322 -177.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 66.2 p -137.84 142.34 40.75 Favored 'General case' 0 C--N 1.345 0.387 0 C-N-CA 125.4 1.48 . . . . 0.0 110.111 177.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 60.2 p -125.99 153.61 44.09 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 126.16 1.784 . . . . 0.0 109.308 175.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 32.4 t -68.04 101.61 1.16 Allowed 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 177.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -98.36 177.42 5.37 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 126.237 1.815 . . . . 0.0 110.345 178.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -136.12 132.48 36.13 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 125.078 1.351 . . . . 0.0 109.88 -172.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.7 m -120.88 -72.98 0.66 Allowed 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.209 1.404 . . . . 0.0 107.492 168.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -103.06 169.5 8.52 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.783 1.633 . . . . 0.0 110.3 170.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -57.19 -54.0 51.72 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.517 1.527 . . . . 0.0 110.545 168.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -74.37 -30.07 61.82 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.684 1.194 . . . . 0.0 111.822 -177.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -113.43 84.72 2.06 Favored 'General case' 0 C--N 1.346 0.413 0 C-N-CA 124.932 1.293 . . . . 0.0 109.951 179.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.0 m -114.08 115.61 27.84 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.65 1.18 . . . . 0.0 108.344 169.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -128.44 153.25 47.31 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.941 1.296 . . . . 0.0 112.641 -157.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 86.5 m -69.8 120.5 15.64 Favored 'General case' 0 C--N 1.344 0.355 0 C-N-CA 125.773 1.629 . . . . 0.0 111.108 174.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.0 mt . . . . . 0 C--O 1.251 1.136 0 C-N-CA 125.719 1.608 . . . . 0.0 109.615 -175.51 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.4 m . . . . . 0 N--CA 1.477 0.907 0 CA-C-O 121.153 0.502 . . . . 0.0 112.316 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -100.1 148.51 24.49 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.17 1.788 . . . . 0.0 110.813 -176.44 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 26.3 p -101.67 110.73 22.77 Favored 'General case' 0 C--N 1.343 0.287 0 N-CA-C 104.507 -2.405 . . . . 0.0 104.507 157.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.1 143.76 43.22 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 -159.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.1 t -64.15 174.7 1.48 Allowed 'General case' 0 C--N 1.344 0.367 0 CA-C-O 122.77 1.272 . . . . 0.0 111.588 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 21.3 t-160 -59.73 126.55 28.03 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 113.205 -1.816 . . . . 0.0 107.878 166.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 23.9 m-90 63.51 95.7 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.347 1.459 . . . . 0.0 109.036 -164.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -161.51 125.55 1.45 Allowed Glycine 0 C--N 1.343 0.942 0 N-CA-C 108.161 -1.976 . . . . 0.0 108.161 -174.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -69.87 97.34 1.1 Allowed 'General case' 0 C--N 1.342 0.259 0 C-N-CA 124.133 0.973 . . . . 0.0 110.64 -174.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.6 p -89.61 -22.32 22.38 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.515 1.526 . . . . 0.0 111.137 175.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -74.73 -158.61 6.41 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 125.975 1.75 . . . . 0.0 110.867 172.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.45 106.83 0.44 Allowed Glycine 0 CA--C 1.527 0.794 0 N-CA-C 110.732 -0.947 . . . . 0.0 110.732 170.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 84.7 mt -69.48 95.24 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.442 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 173.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 144.67 -65.4 0.45 Allowed Glycine 0 N--CA 1.48 1.57 0 N-CA-C 108.333 -1.907 . . . . 0.0 108.333 -171.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -87.53 76.66 8.93 Favored 'General case' 0 C--N 1.345 0.382 0 C-N-CA 123.793 0.837 . . . . 0.0 108.778 172.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 65.0 m -123.65 47.49 2.02 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.572 1.149 . . . . 0.0 109.233 168.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -86.89 -83.96 1.14 Allowed Glycine 0 C--N 1.344 1.014 0 N-CA-C 108.06 -2.016 . . . . 0.0 108.06 173.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.9 p -89.8 117.07 28.37 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 124.64 1.176 . . . . 0.0 110.522 171.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.8 -23.0 5.16 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 127.948 2.499 . . . . 0.0 111.357 179.558 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 54.1 m -70.49 92.43 0.83 Allowed 'General case' 0 C--N 1.346 0.449 0 C-N-CA 125.966 1.706 . . . . 0.0 110.057 -175.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 65.8 m -57.05 142.71 41.16 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.666 1.986 . . . . 0.0 110.758 175.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.1 t -71.87 173.51 8.19 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 122.965 0.506 . . . . 0.0 111.168 -172.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.1 t -57.16 126.2 26.14 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.951 0.9 . . . . 0.0 111.133 -178.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 104.66 -36.86 4.11 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 125.13 1.347 . . . . 0.0 111.992 -171.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 58.6 p -106.53 140.05 40.03 Favored 'General case' 0 C--N 1.343 0.324 0 C-N-CA 125.446 1.498 . . . . 0.0 111.394 -174.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 29.4 p -127.28 157.52 39.64 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.047 1.739 . . . . 0.0 109.914 169.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 42.1 t -73.61 93.32 2.03 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.388 1.475 . . . . 0.0 110.423 -172.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -88.36 135.06 33.64 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 126.871 2.068 . . . . 0.0 110.381 -179.175 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -99.56 133.88 43.24 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.674 1.59 . . . . 0.0 111.026 -171.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.5 t -117.45 -73.17 0.65 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.54 1.536 . . . . 0.0 107.59 167.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -102.52 169.76 8.46 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.921 1.689 . . . . 0.0 110.451 172.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -55.09 -56.01 24.62 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.312 1.445 . . . . 0.0 110.541 168.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -78.44 -25.87 46.08 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.399 1.08 . . . . 0.0 112.723 -175.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -112.89 93.62 4.51 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.112 1.365 . . . . 0.0 109.839 177.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.0 t -115.72 129.9 56.64 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 106.143 -1.799 . . . . 0.0 106.143 164.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -128.13 146.52 50.68 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.401 1.081 . . . . 0.0 111.954 -169.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 98.1 m -72.77 115.66 12.33 Favored 'General case' 0 C--N 1.341 0.232 0 C-N-CA 125.652 1.581 . . . . 0.0 110.374 175.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 77.8 mt . . . . . 0 C--O 1.251 1.149 0 CA-C-O 116.945 -1.503 . . . . 0.0 110.104 -174.754 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 40.5 t . . . . . 0 N--CA 1.475 0.786 0 N-CA-C 111.292 0.108 . . . . 0.0 111.292 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.14 149.16 33.57 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.357 1.063 . . . . 0.0 111.274 168.661 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 56.5 p -79.59 87.31 5.17 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 106.749 -1.575 . . . . 0.0 106.749 167.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -74.99 129.76 38.19 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 126.325 1.85 . . . . 0.0 109.933 -163.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.6 t -63.33 169.14 3.84 Favored 'General case' 0 C--N 1.344 0.36 0 CA-C-O 122.805 1.288 . . . . 0.0 112.028 -173.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 18.7 t-160 -62.09 125.26 23.24 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 112.866 -1.97 . . . . 0.0 107.597 167.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 25.6 m-90 65.94 98.07 0.05 OUTLIER 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.276 1.431 . . . . 0.0 108.672 -166.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -178.66 122.55 0.81 Allowed Glycine 0 C--N 1.339 0.732 0 N-CA-C 107.522 -2.231 . . . . 0.0 107.522 -166.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -65.96 144.57 56.68 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.992 0.396 . . . . 0.0 110.0 -170.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.7 p -146.42 14.79 1.27 Allowed 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.967 1.707 . . . . 0.0 111.985 -171.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 178.6 134.17 2.05 Favored Glycine 0 CA--C 1.531 1.062 0 N-CA-C 109.549 -1.421 . . . . 0.0 109.549 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 163.62 147.51 5.09 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 125.094 1.331 . . . . 0.0 111.563 -179.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 53.9 mt -84.43 64.66 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 C-N-CA 124.965 1.306 . . . . 0.0 107.936 177.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 177.34 -64.06 0.09 OUTLIER Glycine 0 N--CA 1.484 1.891 0 N-CA-C 108.121 -1.992 . . . . 0.0 108.121 -171.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -70.36 122.5 19.71 Favored 'General case' 0 C--N 1.345 0.399 0 C-N-CA 125.416 1.486 . . . . 0.0 109.115 174.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.0 m -130.79 73.87 1.56 Allowed 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 125.491 1.517 . . . . 0.0 107.955 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -153.44 -162.21 10.88 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 124.837 1.208 . . . . 0.0 111.748 -176.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -45.55 117.82 1.57 Allowed 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 126.536 1.934 . . . . 0.0 114.922 -178.411 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.92 -20.79 16.61 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 126.094 1.758 . . . . 0.0 112.571 167.361 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 41.2 m -67.39 86.35 0.18 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.028 1.731 . . . . 0.0 110.53 178.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 61.5 m -57.0 145.91 28.85 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.885 2.074 . . . . 0.0 110.559 171.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.7 t -73.12 169.16 17.59 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.299 0.64 . . . . 0.0 110.22 -175.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 80.5 p -59.47 120.1 8.75 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.844 0.858 . . . . 0.0 110.597 177.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 117.82 -38.67 2.86 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 125.285 1.421 . . . . 0.0 111.484 -169.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.8 p -112.68 147.77 36.07 Favored 'General case' 0 C--N 1.345 0.389 0 C-N-CA 125.455 1.502 . . . . 0.0 112.182 -175.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 73.6 p -128.01 157.62 40.14 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 127.375 2.27 . . . . 0.0 109.522 170.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 41.1 t -77.34 106.02 8.82 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.806 0.843 . . . . 0.0 110.589 -174.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -96.07 135.1 38.31 Favored 'General case' 0 C--N 1.343 0.29 0 C-N-CA 127.317 2.247 . . . . 0.0 110.47 178.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -92.9 134.18 35.35 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.836 1.654 . . . . 0.0 109.392 175.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 68.8 m -111.39 -80.02 0.58 Allowed 'General case' 0 C--N 1.344 0.342 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 171.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -107.56 177.46 4.83 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.673 1.589 . . . . 0.0 111.916 169.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -51.42 -55.51 18.3 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.397 1.879 . . . . 0.0 112.031 179.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -77.65 -27.54 51.04 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.085 1.354 . . . . 0.0 112.669 -173.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -115.27 100.23 7.98 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.706 1.202 . . . . 0.0 111.189 -176.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.1 t -112.38 129.84 56.17 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 159.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -129.77 148.46 51.65 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.543 1.537 . . . . 0.0 111.729 -171.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 94.8 m -72.5 116.5 13.04 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.964 1.706 . . . . 0.0 110.986 175.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 94.9 mt . . . . . 0 C--O 1.252 1.192 0 C-N-CA 125.783 1.633 . . . . 0.0 110.449 -174.256 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 48.8 m . . . . . 0 N--CA 1.476 0.863 0 CA-C-O 121.476 0.655 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -58.59 164.2 2.8 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.39 1.876 . . . . 0.0 113.187 178.371 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 38.2 p -102.54 118.92 37.91 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 105.904 -1.887 . . . . 0.0 105.904 166.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.96 144.44 31.86 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 -168.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.8 t -64.79 174.81 1.69 Allowed 'General case' 0 C--N 1.344 0.336 0 CA-C-O 122.759 1.266 . . . . 0.0 111.296 175.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 22.1 t-160 -58.25 128.03 35.09 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 113.299 -1.773 . . . . 0.0 107.817 164.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 27.0 m-90 65.7 96.35 0.05 Allowed 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.177 1.391 . . . . 0.0 109.1 -165.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -166.8 120.74 0.93 Allowed Glycine 0 CA--C 1.532 1.132 0 N-CA-C 108.917 -1.673 . . . . 0.0 108.917 -172.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -74.63 111.45 9.83 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 125.355 1.462 . . . . 0.0 111.342 -172.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.4 p -90.89 -48.46 7.0 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.001 0.52 . . . . 0.0 110.505 172.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -105.5 85.87 0.47 Allowed Glycine 0 C--N 1.344 0.998 0 N-CA-C 109.529 -1.428 . . . . 0.0 109.529 -174.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -142.58 116.43 1.04 Allowed Glycine 0 CA--C 1.529 0.912 0 C-N-CA 126.251 1.882 . . . . 0.0 109.029 170.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 93.1 mt -44.78 -30.33 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.558 1.254 0 N-CA-C 116.07 1.878 . . . . 0.0 116.07 -175.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -89.04 -43.64 5.3 Favored Glycine 0 N--CA 1.488 2.126 0 CA-C-N 121.567 1.985 . . . . 0.0 110.405 175.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -56.58 117.58 4.01 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.496 1.518 . . . . 0.0 110.226 176.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.9 m -136.39 79.41 1.76 Allowed 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 125.451 1.5 . . . . 0.0 108.32 178.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -149.54 -119.94 1.01 Allowed Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.154 -1.178 . . . . 0.0 110.154 -179.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.2 p -89.64 122.25 32.59 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 125.843 1.657 . . . . 0.0 113.627 -177.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -91.36 -48.05 7.12 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 126.663 1.985 . . . . 0.0 111.396 175.007 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 49.6 m -62.63 99.75 0.16 Allowed 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.979 1.712 . . . . 0.0 112.092 -166.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 65.4 m -57.66 153.24 13.72 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 126.355 1.862 . . . . 0.0 111.625 173.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.8 t -75.16 175.93 7.8 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 121.283 0.563 . . . . 0.0 111.054 -177.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 56.2 m -59.46 131.97 52.58 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.095 0.958 . . . . 0.0 111.115 -179.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.6 -37.81 3.32 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 124.908 1.242 . . . . 0.0 112.111 -172.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 37.9 p -101.33 141.18 34.58 Favored 'General case' 0 C--N 1.344 0.358 0 C-N-CA 125.092 1.357 . . . . 0.0 111.143 -175.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 71.7 p -125.64 149.01 48.79 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 126.535 1.934 . . . . 0.0 108.024 170.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 36.4 t -70.25 101.14 1.83 Allowed 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 -179.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -80.42 177.68 8.82 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.866 1.666 . . . . 0.0 110.024 175.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -137.86 132.28 32.29 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.338 1.055 . . . . 0.0 110.305 -170.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 68.9 m -122.09 -70.56 0.77 Allowed 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.537 1.535 . . . . 0.0 107.331 167.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -102.85 168.98 8.87 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.035 1.734 . . . . 0.0 110.23 171.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -60.23 -48.18 82.84 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.578 1.151 . . . . 0.0 110.435 168.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -76.62 -28.06 55.96 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.834 1.254 . . . . 0.0 111.884 -176.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -114.5 86.76 2.49 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.869 1.267 . . . . 0.0 109.727 178.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.8 m -115.67 113.09 23.06 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.476 1.11 . . . . 0.0 108.253 170.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -127.56 145.17 50.95 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.235 1.414 . . . . 0.0 112.724 -158.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 80.2 m -62.36 119.2 8.63 Favored 'General case' 0 C--N 1.346 0.437 0 C-N-CA 125.997 1.719 . . . . 0.0 112.019 176.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.1 mt . . . . . 0 C--O 1.251 1.171 0 C-N-CA 126.021 1.728 . . . . 0.0 109.718 -178.02 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 71.8 m . . . . . 0 N--CA 1.476 0.831 0 N-CA-C 111.333 0.123 . . . . 0.0 111.333 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -59.37 157.95 10.2 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.333 1.453 . . . . 0.0 112.449 172.488 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.7 p -81.55 100.84 9.6 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 106.199 -1.778 . . . . 0.0 106.199 161.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -74.81 128.78 36.39 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.833 1.253 . . . . 0.0 109.221 -165.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.9 t -63.79 174.66 1.35 Allowed 'General case' 0 C--N 1.345 0.399 0 CA-C-O 122.968 1.366 . . . . 0.0 112.232 -179.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 20.4 t-160 -64.26 128.05 34.13 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 112.88 -1.964 . . . . 0.0 108.25 170.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 28.5 m-90 66.12 98.29 0.05 OUTLIER 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.367 1.467 . . . . 0.0 108.982 -167.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -171.42 115.79 0.6 Allowed Glycine 0 C--N 1.34 0.803 0 N-CA-C 108.111 -1.995 . . . . 0.0 108.111 -172.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -62.32 104.47 0.5 Allowed 'General case' 0 C--N 1.342 0.245 0 C-N-CA 124.13 0.972 . . . . 0.0 109.486 -177.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.4 p -91.39 -42.85 10.09 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 125.786 1.634 . . . . 0.0 110.594 -171.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -120.4 143.58 16.64 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 125.995 1.76 . . . . 0.0 110.506 178.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 165.06 141.55 3.16 Favored Glycine 0 CA--C 1.529 0.919 0 C-N-CA 124.607 1.099 . . . . 0.0 112.062 179.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 55.1 mt -84.85 65.92 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 C-N-CA 125.199 1.399 . . . . 0.0 107.794 176.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -178.99 -64.36 0.07 OUTLIER Glycine 0 N--CA 1.485 1.916 0 N-CA-C 108.123 -1.991 . . . . 0.0 108.123 -173.053 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -67.42 133.4 49.5 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.388 1.475 . . . . 0.0 109.35 172.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.5 m -134.47 80.4 1.85 Allowed 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 125.27 1.428 . . . . 0.0 108.284 -177.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -165.1 -157.52 9.8 Favored Glycine 0 CA--C 1.532 1.136 0 C-N-CA 124.377 0.989 . . . . 0.0 111.734 -179.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -51.39 125.3 13.96 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 127.036 2.134 . . . . 0.0 114.523 -176.315 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.3 mtmm -95.57 -44.08 7.65 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.556 1.543 . . . . 0.0 110.145 174.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 62.2 m -59.96 95.81 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.938 2.095 . . . . 0.0 111.657 -168.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 63.7 m -61.41 145.46 51.58 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 126.429 1.892 . . . . 0.0 110.685 174.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.8 t -73.65 175.92 6.7 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.596 0.759 . . . . 0.0 111.015 -173.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.3 t -58.4 118.19 5.29 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.508 1.123 . . . . 0.0 110.426 177.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 107.74 -14.74 38.13 Favored Glycine 0 CA--C 1.538 1.489 0 C-N-CA 125.433 1.492 . . . . 0.0 113.793 -175.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 40.8 p -127.86 141.44 51.56 Favored 'General case' 0 C--N 1.344 0.33 0 C-N-CA 125.779 1.632 . . . . 0.0 110.739 -178.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.8 p -127.44 157.79 39.09 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 126.157 1.783 . . . . 0.0 109.97 169.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 42.9 t -74.28 94.46 2.5 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.349 1.46 . . . . 0.0 110.31 -171.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -91.21 134.94 34.14 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 126.407 1.883 . . . . 0.0 110.516 -177.524 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -82.91 133.89 35.1 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.748 1.619 . . . . 0.0 110.035 178.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.6 m -118.73 -73.47 0.64 Allowed 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.861 1.264 . . . . 0.0 107.824 168.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -102.95 166.59 10.36 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.802 1.641 . . . . 0.0 110.552 171.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -50.57 -53.68 28.55 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.416 1.887 . . . . 0.0 111.03 169.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -79.35 -29.99 42.45 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.925 1.29 . . . . 0.0 112.591 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -112.41 92.86 4.18 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 119.521 1.055 . . . . 0.0 111.041 -174.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.72 130.38 48.1 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 162.18 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -131.01 148.81 52.8 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.805 1.242 . . . . 0.0 111.923 -173.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 91.2 m -70.71 118.78 13.94 Favored 'General case' 0 C--N 1.343 0.29 0 C-N-CA 125.821 1.648 . . . . 0.0 110.832 174.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 79.2 mt . . . . . 0 C--O 1.251 1.135 0 CA-C-O 116.912 -1.518 . . . . 0.0 110.104 -175.475 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 34.8 t . . . . . 0 N--CA 1.474 0.733 0 CA-C-O 120.003 -0.046 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -53.74 150.09 7.73 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.365 1.466 . . . . 0.0 112.033 172.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 63.6 p -77.42 83.86 3.84 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 168.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -74.99 130.52 39.5 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 126.791 2.036 . . . . 0.0 109.541 -166.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.5 t -65.28 173.85 2.36 Favored 'General case' 0 C--N 1.344 0.36 0 CA-C-O 123.073 1.416 . . . . 0.0 112.016 -173.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 20.4 t-160 -62.2 127.02 29.37 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 112.656 -2.066 . . . . 0.0 108.082 170.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 26.0 m-90 66.59 98.93 0.05 OUTLIER 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.337 1.455 . . . . 0.0 108.562 -165.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -170.4 116.38 0.64 Allowed Glycine 0 C--N 1.34 0.796 0 N-CA-C 108.015 -2.034 . . . . 0.0 108.015 -166.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -67.77 108.76 3.08 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.51 0.724 . . . . 0.0 109.511 -171.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.1 p -89.77 -30.38 18.03 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.792 1.237 . . . . 0.0 110.83 171.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -77.48 -144.16 1.98 Allowed Glycine 0 CA--C 1.533 1.189 0 C-N-CA 125.324 1.44 . . . . 0.0 111.892 176.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.36 106.99 0.34 Allowed Glycine 0 C--N 1.342 0.863 0 C-N-CA 124.444 1.021 . . . . 0.0 110.882 176.269 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 57.6 mt -80.28 68.11 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 170.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 172.53 -59.71 0.15 Allowed Glycine 0 N--CA 1.485 1.946 0 N-CA-C 107.405 -2.278 . . . . 0.0 107.405 -164.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -62.54 126.83 28.67 Favored 'General case' 0 C--N 1.345 0.379 0 C-N-CA 125.338 1.455 . . . . 0.0 108.811 167.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.4 m -135.08 83.03 1.99 Allowed 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.757 1.223 . . . . 0.0 108.568 -177.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -169.75 -139.66 2.78 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 111.126 -0.789 . . . . 0.0 111.126 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.0 117.9 5.63 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 116.272 1.953 . . . . 0.0 116.272 -173.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.67 -28.77 15.17 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 127.091 2.156 . . . . 0.0 111.718 162.535 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.0 m -67.94 90.07 0.3 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.879 1.672 . . . . 0.0 110.923 -175.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 63.2 m -60.0 150.84 27.9 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 127.481 2.312 . . . . 0.0 110.824 172.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.0 t -75.63 173.84 10.52 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.244 0.618 . . . . 0.0 110.718 -174.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 78.2 p -59.17 114.44 2.62 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.63 1.172 . . . . 0.0 110.489 177.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 112.36 -13.92 25.6 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 125.498 1.523 . . . . 0.0 113.649 -174.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 40.3 p -129.25 145.69 51.3 Favored 'General case' 0 C--N 1.344 0.351 0 C-N-CA 125.652 1.581 . . . . 0.0 111.405 -178.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 56.5 p -128.87 152.62 48.32 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 127.473 2.309 . . . . 0.0 109.511 174.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 18.5 t -69.39 97.24 0.96 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.874 1.27 . . . . 0.0 109.86 -179.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.58 129.22 34.94 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 126.431 1.892 . . . . 0.0 109.442 177.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -93.88 133.97 36.74 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.334 1.454 . . . . 0.0 109.822 -178.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.9 m -124.08 -73.4 0.64 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.842 1.257 . . . . 0.0 107.878 168.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -103.09 166.6 10.34 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.59 1.556 . . . . 0.0 110.396 169.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -55.52 -52.04 65.02 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.827 1.651 . . . . 0.0 110.729 170.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -76.55 -31.47 57.61 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.511 1.124 . . . . 0.0 112.253 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -112.87 86.8 2.44 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.461 1.104 . . . . 0.0 109.873 -178.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.0 m -116.9 132.43 56.7 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.912 1.285 . . . . 0.0 107.866 162.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -138.0 148.75 45.46 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.815 1.246 . . . . 0.0 111.449 -165.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 86.8 m -71.99 118.33 14.71 Favored 'General case' 0 C--N 1.342 0.269 0 C-N-CA 125.624 1.57 . . . . 0.0 111.05 176.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.1 mt . . . . . 0 C--O 1.252 1.203 0 C-N-CA 125.488 1.515 . . . . 0.0 110.251 -176.37 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.541 0.623 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 34.1 p -80.44 105.03 11.39 Favored 'General case' 0 C--N 1.342 0.256 0 N-CA-C 105.923 -1.88 . . . . 0.0 105.923 159.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -74.24 137.49 43.05 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.789 1.236 . . . . 0.0 109.747 -164.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.8 t -68.43 171.14 7.77 Favored 'General case' 0 C--N 1.344 0.356 0 CA-C-O 122.694 1.235 . . . . 0.0 112.181 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -62.63 130.02 43.18 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 113.005 -1.907 . . . . 0.0 108.081 166.091 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 28.5 m-90 64.17 96.09 0.05 OUTLIER 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.432 1.493 . . . . 0.0 109.062 -166.544 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -167.62 119.22 0.83 Allowed Glycine 0 C--N 1.345 1.03 0 N-CA-C 110.447 -1.061 . . . . 0.0 110.447 -171.067 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -69.95 111.99 6.04 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.819 1.247 . . . . 0.0 110.909 -177.021 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.1 p -90.35 -47.42 7.76 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 164.11 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -38.97 -56.36 2.18 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 127.901 2.667 . . . . 0.0 116.431 -175.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -55.33 121.13 21.27 Favored Glycine 0 C--N 1.344 1.026 0 C-N-CA 125.186 1.374 . . . . 0.0 112.493 -168.119 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 65.0 mt -77.74 75.47 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 125.319 1.448 . . . . 0.0 107.448 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 171.1 -40.07 0.18 Allowed Glycine 0 N--CA 1.485 1.941 0 N-CA-C 110.274 -1.131 . . . . 0.0 110.274 -161.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -51.81 153.7 2.37 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 127.097 2.159 . . . . 0.0 113.297 -176.709 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.4 m -78.83 69.01 4.93 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.121 1.369 . . . . 0.0 111.838 -178.204 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 82.38 -66.61 3.86 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 124.802 1.192 . . . . 0.0 114.592 162.004 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.2 p -71.14 120.54 16.86 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.71 1.204 . . . . 0.0 113.835 -161.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.01 -27.56 11.08 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 127.041 2.136 . . . . 0.0 112.438 172.692 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 87.7 m -72.1 86.62 1.05 Allowed 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.537 1.535 . . . . 0.0 110.474 -171.522 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 69.4 m -50.81 142.09 12.08 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.638 1.975 . . . . 0.0 111.012 169.681 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.5 t -69.24 172.67 6.61 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.955 0.902 . . . . 0.0 110.682 -173.431 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 84.0 p -55.81 127.53 30.59 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.899 0.88 . . . . 0.0 111.544 -179.178 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.86 -36.8 4.06 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 125.109 1.338 . . . . 0.0 112.284 -171.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 70.4 p -106.27 139.29 41.01 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.403 1.481 . . . . 0.0 111.074 -174.456 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.8 p -127.51 153.49 46.28 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.71 2.004 . . . . 0.0 109.244 167.741 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 36.9 t -75.48 94.61 3.15 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.362 0.665 . . . . 0.0 110.302 -172.224 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -81.87 128.52 34.12 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 127.322 2.249 . . . . 0.0 110.818 -177.28 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -83.34 136.64 34.28 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 126.071 1.749 . . . . 0.0 110.839 -172.032 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.5 m -124.83 -69.12 0.81 Allowed 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.045 1.338 . . . . 0.0 107.69 165.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -103.22 169.01 8.81 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.928 1.691 . . . . 0.0 110.015 166.417 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -56.09 -52.73 63.24 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.611 1.565 . . . . 0.0 110.991 169.199 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -81.65 -24.5 36.29 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.998 1.319 . . . . 0.0 112.674 -177.696 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -112.73 85.66 2.21 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.695 1.198 . . . . 0.0 109.666 175.074 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.9 m -116.73 120.01 37.23 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.445 1.498 . . . . 0.0 107.346 166.142 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -121.92 141.77 50.96 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.542 1.537 . . . . 0.0 112.052 -164.093 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 73.1 m -62.01 118.36 7.19 Favored 'General case' 0 C--N 1.343 0.289 0 C-N-CA 125.358 1.463 . . . . 0.0 111.109 173.626 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.4 mt . . . . . 0 C--O 1.251 1.163 0 CA-C-O 116.957 -1.497 . . . . 0.0 109.972 -179.53 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.1 p . . . . . 0 CA--C 1.543 0.69 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 47.6 p -76.84 93.92 3.81 Favored 'General case' 0 C--N 1.344 0.331 0 N-CA-C 106.695 -1.594 . . . . 0.0 106.695 170.477 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -76.77 130.13 37.26 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 126.611 1.964 . . . . 0.0 109.346 -161.506 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.9 t -64.91 169.69 4.99 Favored 'General case' 0 C--N 1.343 0.308 0 CA-C-O 122.904 1.335 . . . . 0.0 111.668 -174.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -64.29 125.05 23.35 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 112.764 -2.016 . . . . 0.0 107.913 170.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 27.2 m-90 65.8 98.01 0.05 OUTLIER 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.683 1.193 . . . . 0.0 108.528 -165.398 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -177.4 118.32 0.63 Allowed Glycine 0 C--N 1.339 0.711 0 N-CA-C 106.933 -2.467 . . . . 0.0 106.933 -165.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -64.12 143.19 58.06 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 109.881 -0.415 . . . . 0.0 109.881 -170.682 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.5 p -143.45 18.03 1.87 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.135 1.774 . . . . 0.0 112.121 -173.256 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 174.28 140.22 3.2 Favored Glycine 0 CA--C 1.531 1.065 0 C-N-CA 125.015 1.293 . . . . 0.0 110.072 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 161.26 149.05 5.49 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 125.372 1.463 . . . . 0.0 111.125 -178.135 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 56.3 mt -82.62 66.51 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 C-N-CA 124.929 1.291 . . . . 0.0 107.742 177.548 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 172.38 -56.57 0.16 Allowed Glycine 0 N--CA 1.485 1.932 0 N-CA-C 109.501 -1.44 . . . . 0.0 109.501 -167.504 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -63.5 134.07 54.96 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.87 1.668 . . . . 0.0 111.503 -175.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.6 m -135.92 78.7 1.73 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.71 1.604 . . . . 0.0 108.214 177.266 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -163.45 -166.98 23.19 Favored Glycine 0 CA--C 1.532 1.148 0 C-N-CA 124.365 0.983 . . . . 0.0 111.756 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -56.91 122.75 12.99 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 114.919 1.452 . . . . 0.0 114.919 -177.456 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -79.97 -43.43 22.07 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.312 1.445 . . . . 0.0 111.731 163.099 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.6 m -59.08 92.53 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.803 2.041 . . . . 0.0 112.123 -172.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 58.9 m -59.78 151.82 24.45 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 127.634 2.374 . . . . 0.0 110.964 172.626 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.7 t -77.32 177.3 8.04 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 123.354 0.662 . . . . 0.0 110.604 -176.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 55.6 m -57.82 125.46 23.14 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.526 1.13 . . . . 0.0 110.793 178.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 99.59 -22.09 42.14 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 125.124 1.345 . . . . 0.0 113.755 -176.048 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 49.0 p -113.65 141.6 47.02 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 125.633 1.573 . . . . 0.0 110.741 -177.415 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 60.7 p -126.36 151.09 48.08 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.131 1.773 . . . . 0.0 109.057 173.696 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 41.8 t -69.45 106.8 3.09 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.262 0.625 . . . . 0.0 109.348 -178.381 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -104.9 175.73 5.39 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 126.844 2.057 . . . . 0.0 110.89 -178.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -132.26 136.22 46.8 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.279 1.432 . . . . 0.0 110.404 -168.324 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 71.9 m -116.67 -79.22 0.59 Allowed 'General case' 0 C--N 1.344 0.343 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 168.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -107.19 177.22 4.91 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.86 1.664 . . . . 0.0 111.455 167.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -64.57 -44.05 91.93 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.795 1.238 . . . . 0.0 112.832 -175.697 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -73.69 -29.44 62.29 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.403 1.081 . . . . 0.0 111.899 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -114.21 88.22 2.81 Favored 'General case' 0 C--N 1.344 0.364 0 C-N-CA 124.918 1.287 . . . . 0.0 110.306 -174.398 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.3 t -99.95 126.64 46.14 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 164.426 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -135.04 146.1 48.64 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.48 1.112 . . . . 0.0 112.305 -168.451 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 92.2 m -69.23 120.44 15.06 Favored 'General case' 0 C--N 1.343 0.321 0 C-N-CA 126.058 1.743 . . . . 0.0 111.487 175.573 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.6 mt . . . . . 0 C--O 1.251 1.165 0 C-N-CA 126.052 1.741 . . . . 0.0 109.719 -174.325 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.547 0.833 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 37.2 p -103.55 115.47 30.56 Favored 'General case' 0 C--N 1.342 0.264 0 N-CA-C 105.81 -1.922 . . . . 0.0 105.81 162.115 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.46 141.86 28.3 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 -169.693 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.2 t -65.95 -179.58 0.75 Allowed 'General case' 0 C--N 1.344 0.335 0 CA-C-O 122.829 1.299 . . . . 0.0 111.194 178.08 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.424 ' HA ' HG21 ' A' ' 25' ' ' THR . 1.0 OUTLIER -61.79 126.86 28.84 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 113.467 -1.697 . . . . 0.0 107.68 167.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 26.6 m-90 67.09 98.57 0.05 Allowed 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.603 1.561 . . . . 0.0 108.954 -164.3 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -174.89 123.67 0.96 Allowed Glycine 0 CA--C 1.528 0.855 0 N-CA-C 107.613 -2.195 . . . . 0.0 107.613 -175.408 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -61.36 152.14 30.3 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.729 0.811 . . . . 0.0 112.321 -171.09 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.4 p -138.76 -31.45 0.72 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.424 1.49 . . . . 0.0 111.815 177.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -76.1 -171.08 31.29 Favored Glycine 0 CA--C 1.536 1.367 0 N-CA-C 111.618 -0.593 . . . . 0.0 111.618 171.55 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 98.46 117.02 3.73 Favored Glycine 0 C--N 1.341 0.85 0 C-N-CA 124.392 0.996 . . . . 0.0 110.702 176.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 69.3 mt -77.31 83.03 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 C-N-CA 125.25 1.42 . . . . 0.0 107.538 178.419 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 115.27 36.62 1.19 Allowed Glycine 0 N--CA 1.483 1.809 0 C-N-CA 124.181 0.896 . . . . 0.0 111.343 -175.617 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -88.53 156.53 19.03 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.455 1.502 . . . . 0.0 110.456 174.401 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.9 m -73.32 87.8 1.52 Allowed 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.45 1.1 . . . . 0.0 108.034 174.208 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -83.48 60.92 4.83 Favored Glycine 0 CA--C 1.528 0.854 0 N-CA-C 116.231 1.252 . . . . 0.0 116.231 -146.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.3 p -79.5 78.27 6.04 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 123.568 0.747 . . . . 0.0 111.804 148.295 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.38 -21.15 64.72 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.077 1.351 . . . . 0.0 112.952 169.082 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 61.3 m -70.59 95.36 1.08 Allowed 'General case' 0 C--N 1.346 0.414 0 C-N-CA 125.663 1.585 . . . . 0.0 110.317 -173.384 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 57.4 m -61.51 149.49 38.68 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.006 1.722 . . . . 0.0 110.886 172.634 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.9 t -75.01 172.1 12.92 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 121.097 0.475 . . . . 0.0 110.397 -176.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.7 m -66.44 99.55 0.57 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.322 1.049 . . . . 0.0 109.477 175.661 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 138.24 -16.47 3.41 Favored Glycine 0 CA--C 1.537 1.444 0 C-N-CA 125.696 1.617 . . . . 0.0 112.92 -171.032 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.424 HG21 ' HA ' ' A' ' 6' ' ' HIS . 17.8 p -137.89 149.88 46.62 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.867 1.667 . . . . 0.0 111.431 -177.153 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 44.3 p -127.96 157.73 39.78 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.342 1.857 . . . . 0.0 110.27 167.248 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.3 t -74.47 97.83 3.19 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.456 1.502 . . . . 0.0 109.867 -173.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -92.66 135.34 34.18 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 126.852 2.061 . . . . 0.0 110.126 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -82.81 135.62 34.91 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.649 1.58 . . . . 0.0 110.547 -177.588 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 67.6 m -121.53 -74.49 0.61 Allowed 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.817 1.247 . . . . 0.0 107.88 168.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -103.06 167.98 9.48 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 126.199 1.8 . . . . 0.0 110.529 170.416 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -55.8 -53.56 55.25 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.846 1.658 . . . . 0.0 111.014 169.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -85.25 -27.19 26.21 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.844 1.257 . . . . 0.0 112.712 -175.235 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -115.03 103.44 10.9 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.065 0.946 . . . . 0.0 110.398 174.157 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.0 m -117.22 150.54 38.58 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.601 1.161 . . . . 0.0 108.81 162.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -140.09 147.7 40.65 Favored 'General case' 0 C--N 1.345 0.381 0 C-N-CA 123.607 0.763 . . . . 0.0 112.906 -167.028 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 89.6 m -73.53 110.89 8.16 Favored 'General case' 0 C--N 1.341 0.201 0 C-N-CA 126.392 1.877 . . . . 0.0 110.097 173.665 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.8 mt . . . . . 0 C--O 1.252 1.197 0 CA-C-O 116.537 -1.697 . . . . 0.0 110.803 -172.524 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.544 0.737 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 53.3 p -75.91 92.82 3.14 Favored 'General case' 0 C--N 1.344 0.362 0 N-CA-C 106.791 -1.559 . . . . 0.0 106.791 171.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -79.8 129.25 34.33 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 126.103 1.761 . . . . 0.0 109.364 -160.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.9 t -65.32 170.98 4.19 Favored 'General case' 0 C--N 1.343 0.316 0 CA-C-O 122.9 1.333 . . . . 0.0 111.76 -172.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -63.44 124.69 21.97 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 112.823 -1.989 . . . . 0.0 107.725 170.155 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 26.9 m-90 67.72 99.29 0.05 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.987 1.315 . . . . 0.0 108.595 -165.533 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -179.06 117.03 0.55 Allowed Glycine 0 C--N 1.338 0.674 0 N-CA-C 107.109 -2.396 . . . . 0.0 107.109 -166.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -63.41 143.26 57.96 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 117.059 0.429 . . . . 0.0 109.881 -171.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 27.2 p -134.78 -40.44 0.77 Allowed 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 125.326 1.451 . . . . 0.0 110.602 -173.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -117.55 138.54 14.17 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 125.542 1.544 . . . . 0.0 109.95 175.594 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 161.7 136.8 2.06 Favored Glycine 0 CA--C 1.529 0.933 0 C-N-CA 124.452 1.025 . . . . 0.0 111.207 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 56.5 mt -83.23 67.83 0.53 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 C-N-CA 125.136 1.374 . . . . 0.0 108.031 179.038 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 177.38 -60.47 0.1 OUTLIER Glycine 0 N--CA 1.485 1.941 0 N-CA-C 108.481 -1.847 . . . . 0.0 108.481 -171.342 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -65.46 132.05 47.96 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.911 1.685 . . . . 0.0 110.209 175.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.7 m -135.05 76.47 1.63 Allowed 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.569 1.548 . . . . 0.0 108.048 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -158.5 -162.84 12.19 Favored Glycine 0 CA--C 1.53 1.023 0 C-N-CA 124.797 1.189 . . . . 0.0 111.589 -178.562 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -51.86 119.03 3.84 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 125.654 1.582 . . . . 0.0 114.718 -178.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.19 -29.05 18.49 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.06 1.744 . . . . 0.0 112.545 164.177 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 39.4 m -63.47 88.12 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.611 1.965 . . . . 0.0 111.28 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 59.1 m -59.02 150.59 24.3 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 127.37 2.268 . . . . 0.0 110.779 172.107 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.1 t -75.99 172.14 13.25 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.353 0.661 . . . . 0.0 110.308 -175.604 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 79.3 p -57.91 118.62 5.55 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.333 1.053 . . . . 0.0 110.623 176.335 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 112.66 -22.85 16.13 Favored Glycine 0 CA--C 1.536 1.356 0 C-N-CA 125.36 1.457 . . . . 0.0 113.436 -174.061 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 35.1 p -122.25 145.76 47.92 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 125.886 1.674 . . . . 0.0 111.312 -177.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 64.4 p -126.67 153.22 45.69 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.6 1.96 . . . . 0.0 108.952 172.032 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 39.2 t -68.44 111.3 4.59 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -109.85 176.61 5.0 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 126.395 1.878 . . . . 0.0 111.471 -176.239 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -116.03 134.12 55.3 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.086 1.754 . . . . 0.0 109.625 -177.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 68.9 m -123.25 -70.91 0.75 Allowed 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 165.626 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -104.08 167.94 9.44 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.4 1.48 . . . . 0.0 110.147 163.212 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -57.2 -53.95 52.33 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.698 1.599 . . . . 0.0 110.628 169.163 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -74.93 -31.07 61.43 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.603 1.161 . . . . 0.0 112.092 -179.322 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -112.6 84.23 1.95 Allowed 'General case' 0 C--N 1.345 0.398 0 C-N-CA 124.632 1.173 . . . . 0.0 109.745 178.277 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.9 m -108.82 125.1 51.61 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.943 1.697 . . . . 0.0 107.784 171.495 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -135.13 151.39 50.66 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.163 1.385 . . . . 0.0 112.302 -157.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 84.3 m -69.11 117.19 10.45 Favored 'General case' 0 C--N 1.343 0.318 0 C-N-CA 125.909 1.684 . . . . 0.0 111.276 175.456 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.7 mt . . . . . 0 C--O 1.251 1.175 0 C-N-CA 125.878 1.671 . . . . 0.0 110.323 -175.495 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.543 0.709 0 N-CA-C 112.905 0.706 . . . . 0.0 112.905 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 28.6 p -85.75 104.51 15.51 Favored 'General case' 0 C--N 1.342 0.26 0 N-CA-C 105.897 -1.89 . . . . 0.0 105.897 161.622 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -79.34 135.59 36.76 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.85 0.86 . . . . 0.0 109.916 -159.385 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.5 t -62.75 170.36 2.63 Favored 'General case' 0 C--N 1.345 0.399 0 CA-C-O 123.096 1.427 . . . . 0.0 111.995 177.095 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 17.8 t-160 -61.41 131.29 49.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 112.503 -2.135 . . . . 0.0 108.045 168.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 26.2 m-90 67.79 97.98 0.06 Allowed 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.853 1.261 . . . . 0.0 109.154 -169.162 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -176.47 114.05 0.46 Allowed Glycine 0 C--N 1.343 0.939 0 N-CA-C 109.556 -1.417 . . . . 0.0 109.556 -167.32 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -54.81 146.08 18.13 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.558 1.543 . . . . 0.0 111.339 179.007 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 10.4 p -142.45 -30.82 0.54 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.878 1.271 . . . . 0.0 112.384 -175.431 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -133.68 92.09 0.25 Allowed Glycine 0 C--N 1.343 0.955 0 C-N-CA 126.127 1.822 . . . . 0.0 109.559 -167.747 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -142.27 151.44 22.94 Favored Glycine 0 CA--C 1.528 0.906 0 C-N-CA 124.835 1.207 . . . . 0.0 111.533 174.399 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 80.9 mt -75.11 90.27 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 N-CA-C 106.678 -1.601 . . . . 0.0 106.678 176.488 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 127.99 -56.22 0.74 Allowed Glycine 0 N--CA 1.482 1.724 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 -169.376 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -65.93 135.14 54.35 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.341 1.056 . . . . 0.0 110.744 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 75.0 m -130.88 -85.8 0.51 Allowed 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 125.317 1.447 . . . . 0.0 107.602 173.213 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 52.04 -155.1 4.64 Favored Glycine 0 C--N 1.346 1.111 0 C-N-CA 125.015 1.293 . . . . 0.0 114.081 172.314 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.1 p -71.13 89.39 0.83 Allowed 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 125.259 1.424 . . . . 0.0 111.624 168.106 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.471 ' HD2' ' H ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -69.67 -32.5 71.17 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.5 1.12 . . . . 0.0 112.516 172.142 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 98.0 m -71.69 108.83 5.23 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 126.438 1.895 . . . . 0.0 110.69 -174.078 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.5 m -53.41 168.74 0.15 Allowed 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 126.028 1.731 . . . . 0.0 113.445 166.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.1 t -89.17 175.47 7.36 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.964 1.306 . . . . 0.0 109.657 167.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.4 m -59.9 138.43 57.82 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.241 1.016 . . . . 0.0 111.552 179.26 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.87 -37.91 3.28 Favored Glycine 0 CA--C 1.533 1.212 0 C-N-CA 124.919 1.247 . . . . 0.0 112.726 -174.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 40.7 p -101.27 134.67 43.96 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.03 1.732 . . . . 0.0 110.215 -178.192 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.6 p -128.18 135.21 49.41 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 125.894 1.677 . . . . 0.0 108.225 168.607 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 11.7 t -64.86 126.54 28.31 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 118.439 0.563 . . . . 0.0 112.419 -164.515 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -112.52 172.95 6.61 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 127.685 2.394 . . . . 0.0 110.836 -174.563 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -106.23 131.6 53.27 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.986 1.314 . . . . 0.0 109.975 -175.648 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 68.6 m -119.07 -74.72 0.6 Allowed 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 168.036 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -103.75 169.71 8.35 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.821 1.648 . . . . 0.0 110.567 170.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -56.39 -54.79 41.45 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.478 1.511 . . . . 0.0 110.618 169.065 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -74.68 -31.57 61.94 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.604 1.162 . . . . 0.0 111.85 -178.297 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -113.4 88.89 2.94 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.644 1.177 . . . . 0.0 109.684 -177.495 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.8 t -95.45 104.71 16.62 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 106.381 -1.711 . . . . 0.0 106.381 168.247 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -96.72 146.02 25.26 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.072 1.349 . . . . 0.0 112.613 -167.126 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 48.3 t -70.48 119.6 14.88 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.277 1.431 . . . . 0.0 110.552 174.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 97.1 mt . . . . . 0 C--O 1.251 1.151 0 CA-C-O 116.879 -1.534 . . . . 0.0 111.535 -171.828 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.544 0.735 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.5 p -77.39 97.35 4.9 Favored 'General case' 0 C--N 1.345 0.389 0 N-CA-C 106.557 -1.646 . . . . 0.0 106.557 169.469 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -74.7 129.26 37.39 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.592 1.157 . . . . 0.0 109.497 -159.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.1 t -59.78 167.23 2.21 Favored 'General case' 0 C--N 1.345 0.409 0 CA-C-O 122.901 1.334 . . . . 0.0 112.449 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -62.8 127.51 31.58 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 112.773 -2.012 . . . . 0.0 108.118 169.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 28.3 m-90 66.1 98.44 0.05 OUTLIER 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.733 1.613 . . . . 0.0 108.71 -166.615 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -173.32 120.7 0.82 Allowed Glycine 0 C--N 1.34 0.778 0 N-CA-C 108.431 -1.867 . . . . 0.0 108.431 -171.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -62.09 103.45 0.37 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.107 0.963 . . . . 0.0 110.032 -176.384 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.5 p -89.82 -36.44 15.11 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.334 1.454 . . . . 0.0 111.161 178.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -77.4 -178.17 47.42 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 124.12 0.867 . . . . 0.0 111.338 175.504 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 108.04 119.98 4.42 Favored Glycine 0 C--N 1.34 0.791 0 N-CA-C 110.272 -1.131 . . . . 0.0 110.272 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 69.5 mt -76.82 80.52 0.7 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 C-N-CA 125.216 1.406 . . . . 0.0 107.248 177.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 122.65 24.69 2.07 Favored Glycine 0 N--CA 1.483 1.804 0 C-N-CA 124.153 0.883 . . . . 0.0 112.412 -175.404 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -66.24 160.54 24.1 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 118.743 1.272 . . . . 0.0 111.493 171.599 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.9 m -75.0 67.66 1.73 Allowed 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.406 1.482 . . . . 0.0 111.749 178.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 82.34 -79.87 1.84 Allowed Glycine 0 CA--C 1.532 1.094 0 C-N-CA 125.102 1.334 . . . . 0.0 113.431 167.016 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.5 p -76.42 120.59 21.87 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.422 1.089 . . . . 0.0 113.743 -160.36 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.463 ' H ' ' HD3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -103.23 -23.8 13.59 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.861 1.664 . . . . 0.0 111.711 165.91 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.4 m -68.87 93.11 0.53 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.196 1.798 . . . . 0.0 110.654 -175.077 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 64.0 m -59.57 144.93 46.16 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 126.597 1.959 . . . . 0.0 110.797 172.394 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.3 t -73.56 172.53 11.18 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.449 0.699 . . . . 0.0 110.742 -175.108 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 54.0 m -59.52 124.09 18.95 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.975 0.91 . . . . 0.0 110.653 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 110.5 -37.43 3.75 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 125.214 1.388 . . . . 0.0 111.784 -170.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 37.6 p -109.54 143.07 39.72 Favored 'General case' 0 C--N 1.344 0.345 0 C-N-CA 125.399 1.48 . . . . 0.0 111.675 -175.508 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.4 p -127.48 158.8 36.42 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.185 1.794 . . . . 0.0 109.984 168.386 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 46.3 t -76.69 93.95 3.73 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.503 1.521 . . . . 0.0 110.465 -170.395 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -90.67 131.93 36.07 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 126.791 2.036 . . . . 0.0 111.052 -175.802 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -76.44 135.17 39.42 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 126.03 1.732 . . . . 0.0 110.902 -177.173 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.7 m -123.72 -71.14 0.73 Allowed 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.039 1.336 . . . . 0.0 107.501 165.576 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -103.2 168.87 8.9 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.712 1.605 . . . . 0.0 110.178 164.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -56.93 -54.69 43.78 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.708 1.603 . . . . 0.0 110.692 169.441 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -79.13 -28.43 42.87 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.446 1.099 . . . . 0.0 112.663 -177.494 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -112.77 90.1 3.25 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.477 1.111 . . . . 0.0 109.589 176.062 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.2 t -103.92 140.81 37.18 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 107.054 -1.461 . . . . 0.0 107.054 161.045 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -130.49 146.28 52.0 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.54 1.136 . . . . 0.0 111.745 -170.43 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 94.8 m -72.84 114.64 11.21 Favored 'General case' 0 C--N 1.341 0.231 0 C-N-CA 125.62 1.568 . . . . 0.0 110.533 175.277 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 76.5 mt . . . . . 0 C--O 1.251 1.152 0 CA-C-O 116.776 -1.583 . . . . 0.0 110.337 -174.14 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.543 0.674 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 39.3 p -86.46 100.54 12.43 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 106.361 -1.718 . . . . 0.0 106.361 162.692 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.414 ' HB2' ' HB2' ' A' ' 18' ' ' CYS . 2.7 tt0 -90.57 128.53 36.61 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 126.079 1.752 . . . . 0.0 108.939 -161.507 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.9 t -66.56 173.35 3.43 Favored 'General case' 0 C--N 1.347 0.474 0 CA-C-O 122.735 1.255 . . . . 0.0 113.26 -165.662 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -57.88 126.58 28.04 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 112.768 -2.015 . . . . 0.0 108.037 166.54 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 25.7 m-90 64.98 96.95 0.05 OUTLIER 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.788 1.235 . . . . 0.0 109.263 -166.578 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -171.15 114.14 0.52 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 108.139 -1.984 . . . . 0.0 108.139 -171.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -65.95 105.43 1.32 Allowed 'General case' 0 C--N 1.34 0.177 0 C-N-CA 125.634 1.573 . . . . 0.0 109.204 -173.079 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.2 p -92.96 -55.82 3.21 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 126.275 1.83 . . . . 0.0 110.732 -173.127 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -112.46 76.47 0.23 Allowed Glycine 0 CA--C 1.531 1.054 0 C-N-CA 123.941 0.782 . . . . 0.0 112.19 -166.142 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -138.12 142.26 13.0 Favored Glycine 0 CA--C 1.531 1.045 0 C-N-CA 124.635 1.112 . . . . 0.0 111.24 -175.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 58.0 mt -83.16 69.31 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 C-N-CA 125.168 1.387 . . . . 0.0 108.328 -178.223 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 178.75 -61.55 0.08 OUTLIER Glycine 0 N--CA 1.485 1.94 0 N-CA-C 107.951 -2.06 . . . . 0.0 107.951 -173.509 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -67.54 125.27 25.63 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 126.051 1.741 . . . . 0.0 109.079 172.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 71.2 m -137.03 90.29 2.52 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.759 1.224 . . . . 0.0 109.677 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -168.88 -109.13 0.21 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.346 -1.102 . . . . 0.0 110.346 173.503 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.414 ' HB2' ' HB2' ' A' ' 4' ' ' GLN . 1.0 OUTLIER -88.83 103.87 16.39 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 126.296 1.838 . . . . 0.0 113.593 -176.153 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.47 -45.63 68.57 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.066 1.347 . . . . 0.0 110.433 163.377 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 93.0 m -59.22 104.63 0.26 Allowed 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 126.924 2.09 . . . . 0.0 112.291 -164.033 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.1 m -50.26 158.51 0.56 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.757 1.623 . . . . 0.0 113.243 166.141 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.0 t -78.0 172.01 14.14 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.316 0.647 . . . . 0.0 109.334 164.255 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 57.1 m -60.95 138.9 58.14 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.859 0.864 . . . . 0.0 111.688 -179.417 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.35 -40.19 2.55 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 124.986 1.279 . . . . 0.0 111.989 -174.107 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.9 p -99.52 146.67 26.13 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.396 1.478 . . . . 0.0 111.037 -176.05 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.6 p -128.01 148.05 50.52 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 126.402 1.881 . . . . 0.0 109.848 175.519 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 44.8 t -65.78 108.93 2.28 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.59 0.756 . . . . 0.0 109.217 178.502 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -108.75 176.78 4.98 Favored 'General case' 0 C--N 1.34 0.183 0 C-N-CA 127.494 2.317 . . . . 0.0 110.352 -178.137 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -127.32 134.02 50.05 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.062 1.345 . . . . 0.0 110.56 -170.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.5 m -124.58 -73.09 0.65 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.023 1.329 . . . . 0.0 107.805 166.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -103.12 168.02 9.45 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.411 1.485 . . . . 0.0 110.576 169.477 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -54.7 -57.08 12.91 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 126.231 1.812 . . . . 0.0 110.85 172.03 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -76.47 -31.07 57.56 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.987 1.315 . . . . 0.0 112.295 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -110.38 73.99 0.86 Allowed 'General case' 0 C--N 1.347 0.467 0 C-N-CA 124.404 1.081 . . . . 0.0 109.31 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.9 m -98.14 116.12 29.71 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.663 1.185 . . . . 0.0 107.83 165.194 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -116.87 149.44 40.06 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.138 1.375 . . . . 0.0 112.559 -163.372 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 52.0 t -71.22 119.83 15.92 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 126.003 1.721 . . . . 0.0 110.427 174.361 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.4 mt . . . . . 0 C--O 1.25 1.108 0 C-N-CA 125.011 1.324 . . . . 0.0 110.974 -170.445 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.544 0.725 0 CA-C-O 120.477 0.18 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 66.5 p -73.3 92.26 1.78 Allowed 'General case' 0 C--N 1.346 0.429 0 N-CA-C 107.033 -1.469 . . . . 0.0 107.033 172.312 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -89.89 132.52 35.25 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.882 1.673 . . . . 0.0 109.069 -160.264 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.5 t -63.86 173.47 1.79 Allowed 'General case' 0 C--N 1.346 0.423 0 CA-C-O 122.985 1.374 . . . . 0.0 112.854 -168.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.428 ' HA ' HG21 ' A' ' 25' ' ' THR . 1.0 OUTLIER -61.24 127.43 31.47 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 112.601 -2.091 . . . . 0.0 107.8 167.62 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 26.9 m-90 65.79 98.35 0.05 OUTLIER 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.155 1.382 . . . . 0.0 108.779 -165.591 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -171.51 115.06 0.56 Allowed Glycine 0 C--N 1.339 0.737 0 N-CA-C 107.551 -2.22 . . . . 0.0 107.551 -168.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -61.29 112.89 2.33 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.511 0.724 . . . . 0.0 109.442 -171.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.7 p -111.96 33.27 4.91 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.186 1.394 . . . . 0.0 111.665 -175.173 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 161.45 133.79 1.54 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 109.868 -1.293 . . . . 0.0 109.868 -177.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 164.8 146.13 4.65 Favored Glycine 0 CA--C 1.529 0.914 0 C-N-CA 124.985 1.279 . . . . 0.0 111.381 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 87.5 mt -72.95 97.11 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 175.106 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 135.77 -59.97 0.64 Allowed Glycine 0 N--CA 1.481 1.675 0 N-CA-C 109.17 -1.572 . . . . 0.0 109.17 -171.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -69.58 116.44 9.99 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.131 0.973 . . . . 0.0 109.359 177.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.3 m -136.38 85.74 2.17 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.233 1.413 . . . . 0.0 108.563 179.23 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -168.32 -127.86 0.95 Allowed Glycine 0 CA--C 1.531 1.052 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.17 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -70.26 99.84 1.6 Allowed 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 125.846 1.658 . . . . 0.0 114.031 -176.397 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.31 -21.67 42.33 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.396 1.478 . . . . 0.0 112.889 157.269 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 41.7 m -64.26 91.0 0.07 Allowed 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 126.4 1.88 . . . . 0.0 111.179 -179.414 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 62.4 m -64.77 146.43 54.82 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.556 1.942 . . . . 0.0 110.695 173.114 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.3 t -73.13 172.09 11.73 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.26 0.624 . . . . 0.0 110.762 -173.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 64.7 m -64.49 104.37 0.78 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.457 1.103 . . . . 0.0 109.695 176.481 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 132.29 -18.86 4.65 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 125.69 1.614 . . . . 0.0 112.978 -171.542 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.428 HG21 ' HA ' ' A' ' 6' ' ' HIS . 23.3 p -134.35 148.91 50.79 Favored 'General case' 0 C--N 1.344 0.329 0 C-N-CA 126.083 1.753 . . . . 0.0 111.26 -177.1 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 80.1 p -125.75 151.98 45.97 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.529 1.932 . . . . 0.0 108.606 171.425 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 40.8 t -69.63 110.16 4.7 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -177.491 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -105.17 173.77 6.16 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 126.711 2.004 . . . . 0.0 110.662 178.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -126.39 132.73 51.48 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 125.219 1.408 . . . . 0.0 110.273 -171.147 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 44.9 t -119.64 -75.56 0.58 Allowed 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.188 1.395 . . . . 0.0 107.718 168.389 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -104.02 166.16 10.59 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.986 1.714 . . . . 0.0 110.762 174.634 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -55.64 -51.29 67.72 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.005 1.722 . . . . 0.0 110.902 170.024 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -74.69 -31.79 62.0 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.622 1.169 . . . . 0.0 112.014 178.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -113.69 87.33 2.59 Favored 'General case' 0 C--N 1.345 0.411 0 C-N-CA 124.278 1.031 . . . . 0.0 110.516 -176.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.2 t -93.41 138.65 31.53 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 106.931 -1.507 . . . . 0.0 106.931 161.389 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -144.5 146.38 32.38 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 119.169 0.895 . . . . 0.0 113.084 -170.145 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 94.6 m -69.29 116.74 10.07 Favored 'General case' 0 C--N 1.345 0.372 0 C-N-CA 126.519 1.928 . . . . 0.0 111.286 175.146 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.3 mt . . . . . 0 C--O 1.252 1.189 0 CA-C-O 116.838 -1.553 . . . . 0.0 110.512 -176.854 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.541 0.614 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 36.6 p -82.38 98.1 8.68 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 163.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -74.27 135.57 42.64 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.347 1.459 . . . . 0.0 109.814 -164.188 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.1 t -65.32 173.23 2.67 Favored 'General case' 0 C--N 1.345 0.391 0 CA-C-O 122.943 1.354 . . . . 0.0 112.028 178.431 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 20.3 t-160 -66.21 127.26 31.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 112.822 -1.99 . . . . 0.0 108.204 171.136 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 28.1 m-90 66.47 97.45 0.05 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.884 1.274 . . . . 0.0 109.137 -169.355 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -174.38 114.31 0.5 Allowed Glycine 0 C--N 1.339 0.713 0 N-CA-C 106.902 -2.479 . . . . 0.0 106.902 -170.195 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -56.42 104.24 0.14 Allowed 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.317 1.047 . . . . 0.0 109.715 -177.059 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 24.3 p -91.84 -47.68 7.2 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.938 1.295 . . . . 0.0 110.638 -173.057 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -103.86 -145.14 14.3 Favored Glycine 0 CA--C 1.531 1.047 0 C-N-CA 125.042 1.305 . . . . 0.0 110.152 -179.164 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 84.45 136.45 3.36 Favored Glycine 0 CA--C 1.531 1.049 0 C-N-CA 124.039 0.828 . . . . 0.0 112.124 167.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 89.1 mt -67.64 124.45 23.07 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 C-N-CA 124.787 1.235 . . . . 0.0 108.977 -178.321 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 119.27 -47.32 1.04 Allowed Glycine 0 N--CA 1.483 1.832 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -178.466 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -60.38 141.76 55.85 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.949 1.3 . . . . 0.0 112.225 -172.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.4 m -136.47 84.4 2.07 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.345 1.458 . . . . 0.0 108.573 177.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -179.67 -169.38 39.92 Favored Glycine 0 CA--C 1.534 1.241 0 C-N-CA 123.6 0.619 . . . . 0.0 112.607 179.309 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -50.04 124.53 10.28 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 127.632 2.373 . . . . 0.0 114.37 -179.359 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.3 mtmm -93.01 -48.46 6.5 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.257 1.423 . . . . 0.0 109.549 173.295 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 90.1 m -59.26 103.04 0.15 Allowed 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 126.492 1.917 . . . . 0.0 111.062 -171.129 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.9 m -51.75 167.57 0.1 Allowed 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.805 2.042 . . . . 0.0 113.269 169.231 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.8 t -86.29 177.85 7.35 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.052 0.941 . . . . 0.0 109.551 168.525 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.1 t -60.7 136.69 58.14 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.252 1.021 . . . . 0.0 111.332 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.62 -33.51 5.13 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 124.903 1.239 . . . . 0.0 113.203 -176.006 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.4 p -101.47 144.61 30.04 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.711 1.605 . . . . 0.0 111.105 -176.474 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 81.5 p -127.7 145.41 50.91 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 127.541 2.336 . . . . 0.0 109.635 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 51.5 t -68.72 119.59 13.36 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 178.548 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -125.75 170.67 11.34 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 127.138 2.175 . . . . 0.0 110.776 -173.404 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -109.87 136.1 49.71 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 126.384 1.874 . . . . 0.0 109.432 -178.21 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.8 t -118.71 -74.33 0.61 Allowed 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.93 1.292 . . . . 0.0 107.895 169.38 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -102.66 168.26 9.37 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 126.251 1.82 . . . . 0.0 110.596 171.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -53.9 -53.78 47.86 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 126.206 1.803 . . . . 0.0 111.095 170.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -81.85 -29.26 32.61 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.043 1.337 . . . . 0.0 112.79 -177.055 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -115.44 104.57 11.89 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.375 1.47 . . . . 0.0 110.747 -179.101 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 57.2 m -115.22 115.82 27.32 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 125.93 1.692 . . . . 0.0 108.19 175.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -108.57 149.32 29.03 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.379 1.472 . . . . 0.0 113.709 -163.726 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 52.9 t -75.01 122.79 24.06 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.092 1.757 . . . . 0.0 110.191 171.589 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.9 mt . . . . . 0 C--O 1.251 1.139 0 CA-C-O 117.149 -1.405 . . . . 0.0 111.258 -166.973 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 p . . . . . 0 CA--C 1.535 0.394 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 66.5 p -52.34 108.51 0.3 Allowed 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.294 1.037 . . . . 0.0 109.599 -169.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -86.76 119.56 27.12 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 -150.29 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.9 t -57.02 167.09 0.88 Allowed 'General case' 0 C--N 1.347 0.469 0 CA-C-O 122.922 1.344 . . . . 0.0 112.426 -178.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -58.79 127.7 33.5 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 112.773 -2.012 . . . . 0.0 108.408 175.034 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 27.6 m-90 66.38 99.61 0.05 OUTLIER 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.278 1.431 . . . . 0.0 108.26 -163.086 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -166.27 112.51 0.5 Allowed Glycine 0 C--N 1.341 0.842 0 N-CA-C 107.722 -2.151 . . . . 0.0 107.722 -167.354 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -75.05 104.1 5.49 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 -168.619 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.1 p -96.76 -38.55 9.84 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 127.146 2.179 . . . . 0.0 111.465 -173.7 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.422 ' HA3' ' H ' ' A' ' 35' ' ' SER . . . -41.14 -65.75 1.04 Allowed Glycine 0 CA--C 1.536 1.39 0 C-N-CA 127.992 2.71 . . . . 0.0 116.829 -175.302 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -42.66 127.21 4.81 Favored Glycine 0 C--N 1.345 1.056 0 C-N-CA 126.407 1.956 . . . . 0.0 115.733 -159.641 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 72.0 mt -74.28 87.71 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 N-CA-C 105.347 -2.094 . . . . 0.0 105.347 165.396 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 142.25 -49.59 0.74 Allowed Glycine 0 N--CA 1.483 1.786 0 N-CA-C 109.361 -1.495 . . . . 0.0 109.361 -164.302 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -63.68 123.55 19.14 Favored 'General case' 0 C--N 1.347 0.457 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 167.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.7 m -135.56 177.65 7.66 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.315 1.046 . . . . 0.0 112.088 -173.44 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 87.16 -79.37 1.8 Allowed Glycine 0 C--N 1.342 0.882 0 N-CA-C 109.439 -1.464 . . . . 0.0 109.439 -175.2 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.5 p -118.98 87.36 2.72 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 125.936 1.694 . . . . 0.0 113.448 -170.422 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.08 -20.76 60.89 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.222 152.639 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 84.9 m -74.35 103.52 4.76 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 126.197 1.799 . . . . 0.0 110.839 -173.39 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 67.2 m -64.42 154.29 36.12 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.757 2.023 . . . . 0.0 111.288 170.651 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.4 t -77.55 173.74 11.66 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 121.226 0.536 . . . . 0.0 110.354 -177.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.7 t -60.08 126.3 27.01 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.924 0.89 . . . . 0.0 110.679 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 106.39 -36.48 4.37 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 125.13 1.348 . . . . 0.0 112.045 -172.027 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 36.8 p -107.72 142.56 37.53 Favored 'General case' 0 C--N 1.344 0.357 0 C-N-CA 125.219 1.408 . . . . 0.0 111.368 -175.39 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.8 p -128.18 157.94 39.43 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.01 1.724 . . . . 0.0 110.296 168.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 40.9 t -74.82 91.44 2.43 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.974 1.71 . . . . 0.0 110.321 -171.044 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -88.22 127.85 35.45 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 126.782 2.033 . . . . 0.0 111.101 -175.39 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -81.54 135.04 35.58 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 126.257 1.823 . . . . 0.0 111.257 -171.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.3 m -121.92 -70.89 0.76 Allowed 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.327 1.451 . . . . 0.0 107.425 166.615 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -102.5 171.98 7.13 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.844 1.658 . . . . 0.0 110.001 166.699 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -58.93 -55.99 28.01 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.84 1.256 . . . . 0.0 110.441 168.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -79.76 -26.38 40.73 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.5 1.12 . . . . 0.0 112.635 -174.344 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -112.58 94.28 4.84 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.995 1.318 . . . . 0.0 109.341 174.213 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.422 ' H ' ' HA3' ' A' ' 11' ' ' GLY . 12.0 t -115.76 143.5 45.3 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 106.883 -1.525 . . . . 0.0 106.883 162.676 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -135.38 145.59 47.49 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.951 0.9 . . . . 0.0 111.846 -168.585 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 87.2 m -71.38 115.81 10.98 Favored 'General case' 0 C--N 1.341 0.224 0 C-N-CA 125.578 1.551 . . . . 0.0 110.516 176.515 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 78.6 mt . . . . . 0 C--O 1.251 1.18 0 C-N-CA 125.144 1.377 . . . . 0.0 110.116 -174.777 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.541 0.625 0 CA-C-O 120.681 0.277 . . . . 0.0 111.398 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 64.3 p -77.71 85.57 4.02 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 106.956 -1.498 . . . . 0.0 106.956 168.015 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -74.6 129.81 38.4 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 126.712 2.005 . . . . 0.0 109.314 -166.085 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.8 t -67.1 174.4 3.15 Favored 'General case' 0 C--N 1.343 0.32 0 CA-C-O 122.998 1.38 . . . . 0.0 111.982 -171.12 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -64.4 125.78 25.7 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 112.581 -2.1 . . . . 0.0 108.119 170.743 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 27.1 m-90 66.03 97.42 0.05 OUTLIER 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.182 1.393 . . . . 0.0 108.533 -166.672 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -177.64 123.76 0.9 Allowed Glycine 0 C--N 1.34 0.777 0 N-CA-C 107.814 -2.115 . . . . 0.0 107.814 -165.277 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -69.79 151.2 46.04 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 117.001 0.4 . . . . 0.0 110.636 -171.575 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.0 p -143.15 -46.89 0.3 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.253 1.421 . . . . 0.0 110.511 -174.219 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -116.32 60.82 0.42 Allowed Glycine 0 CA--C 1.534 1.248 0 C-N-CA 124.444 1.021 . . . . 0.0 112.483 -170.683 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -110.08 135.54 12.94 Favored Glycine 0 C--N 1.343 0.925 0 C-N-CA 124.351 0.976 . . . . 0.0 110.946 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 52.3 mt -83.4 64.51 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 C-N-CA 124.897 1.279 . . . . 0.0 107.62 175.355 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 168.8 -62.24 0.19 Allowed Glycine 0 N--CA 1.486 1.989 0 N-CA-C 107.857 -2.097 . . . . 0.0 107.857 -167.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -62.86 124.29 20.68 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.758 1.623 . . . . 0.0 109.363 172.616 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.5 m -130.52 75.0 1.63 Allowed 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.282 1.433 . . . . 0.0 108.342 -176.448 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -157.79 -164.07 13.46 Favored Glycine 0 CA--C 1.532 1.127 0 C-N-CA 124.768 1.175 . . . . 0.0 111.576 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -41.56 118.35 1.06 Allowed 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 126.366 1.866 . . . . 0.0 115.939 -178.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.38 -33.23 16.13 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.548 1.939 . . . . 0.0 111.118 168.207 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 33.1 m -64.68 87.43 0.06 Allowed 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.84 2.056 . . . . 0.0 111.479 -173.656 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 59.9 m -56.98 146.67 26.22 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 127.123 2.169 . . . . 0.0 110.312 170.507 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.1 t -72.37 173.35 8.86 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.021 0.529 . . . . 0.0 110.494 -174.687 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.8 t -58.06 119.12 6.23 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.226 1.01 . . . . 0.0 110.657 179.175 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 107.17 -17.08 38.11 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 125.437 1.494 . . . . 0.0 113.858 -175.589 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 45.1 p -119.17 144.77 46.5 Favored 'General case' 0 C--N 1.344 0.358 0 C-N-CA 125.673 1.589 . . . . 0.0 111.061 -177.019 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 74.2 p -127.31 144.85 50.97 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 127.26 2.224 . . . . 0.0 109.343 179.425 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 36.3 t -68.01 101.13 1.07 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.072 0.949 . . . . 0.0 108.808 177.307 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -105.63 118.24 36.08 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 126.555 1.942 . . . . 0.0 109.426 -173.659 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -73.57 134.23 43.71 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.359 1.464 . . . . 0.0 110.133 177.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.3 t -120.55 -73.32 0.65 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.933 1.293 . . . . 0.0 107.768 169.406 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -102.49 168.02 9.56 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.605 1.562 . . . . 0.0 110.152 170.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -62.16 -45.72 92.18 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.169 0.988 . . . . 0.0 111.597 174.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -78.59 -34.15 47.05 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.297 1.039 . . . . 0.0 112.163 176.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -112.35 90.97 3.49 Favored 'General case' 0 C--N 1.348 0.51 0 CA-C-N 119.591 1.087 . . . . 0.0 110.135 -175.103 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 67.5 m -118.82 122.43 42.36 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.637 1.575 . . . . 0.0 108.467 172.146 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -129.33 147.93 51.2 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.773 1.229 . . . . 0.0 112.828 -160.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 88.3 m -70.5 119.06 14.1 Favored 'General case' 0 C--N 1.343 0.313 0 C-N-CA 125.906 1.682 . . . . 0.0 110.677 173.206 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 91.2 mt . . . . . 0 C--O 1.251 1.149 0 C-N-CA 125.763 1.625 . . . . 0.0 109.981 -173.289 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.542 0.667 0 N-CA-C 113.013 0.745 . . . . 0.0 113.013 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 37.5 p -98.93 118.52 35.87 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 105.351 -2.092 . . . . 0.0 105.351 156.037 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.68 142.33 37.23 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 -168.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.5 t -68.07 179.11 1.6 Allowed 'General case' 0 C--N 1.344 0.363 0 CA-C-O 122.637 1.208 . . . . 0.0 111.27 -178.36 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -62.16 125.0 22.35 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 113.58 -1.646 . . . . 0.0 107.741 167.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 25.5 m-90 64.91 96.63 0.05 OUTLIER 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.017 1.327 . . . . 0.0 109.145 -163.691 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -165.79 113.84 0.56 Allowed Glycine 0 C--N 1.341 0.835 0 N-CA-C 106.878 -2.489 . . . . 0.0 106.878 -173.545 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -69.51 101.12 1.53 Allowed 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 124.287 1.035 . . . . 0.0 109.196 -170.846 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 24.0 p -93.93 -44.02 8.28 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 126.312 1.845 . . . . 0.0 112.017 -165.505 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -84.58 -107.41 0.62 Allowed Glycine 0 CA--C 1.532 1.14 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 -178.784 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 74.64 126.88 0.16 Allowed Glycine 0 CA--C 1.53 1.029 0 C-N-CA 125.264 1.412 . . . . 0.0 113.517 166.738 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 48.5 mt -84.15 62.08 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 C-N-CA 124.678 1.191 . . . . 0.0 107.967 173.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 178.53 -64.54 0.08 OUTLIER Glycine 0 N--CA 1.487 2.033 0 N-CA-C 108.999 -1.64 . . . . 0.0 108.999 -170.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -67.0 127.36 32.29 Favored 'General case' 0 C--N 1.344 0.367 0 C-N-CA 125.52 1.528 . . . . 0.0 109.274 176.449 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.1 m -135.5 78.9 1.75 Allowed 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 125.239 1.416 . . . . 0.0 108.227 178.298 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -154.23 -135.44 2.09 Favored Glycine 0 CA--C 1.53 0.974 0 C-N-CA 124.637 1.113 . . . . 0.0 110.398 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.2 p -74.56 117.94 16.96 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.076 1.35 . . . . 0.0 113.723 -175.532 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.13 -15.74 14.59 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 127.182 2.193 . . . . 0.0 113.73 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.4 m -75.85 90.21 2.92 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.644 1.178 . . . . 0.0 110.061 -173.581 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 61.5 m -58.08 140.81 51.86 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 126.247 1.819 . . . . 0.0 110.725 176.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.8 t -72.29 175.18 6.34 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 121.227 0.537 . . . . 0.0 111.187 -173.422 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.2 t -57.09 127.63 32.9 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.144 0.978 . . . . 0.0 111.096 -178.307 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.42 -36.67 4.12 Favored Glycine 0 CA--C 1.535 1.337 0 C-N-CA 125.063 1.316 . . . . 0.0 112.101 -171.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 60.3 p -104.48 143.63 32.77 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 125.202 1.401 . . . . 0.0 111.543 -174.633 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 65.8 p -125.55 153.56 43.47 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 126.518 1.927 . . . . 0.0 108.944 174.444 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 52.4 t -71.2 107.06 4.03 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 -178.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -105.21 179.06 4.38 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.39 1.876 . . . . 0.0 111.154 -176.313 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -135.57 133.82 38.74 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.582 1.553 . . . . 0.0 109.483 -175.172 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 73.7 m -123.7 -77.72 0.59 Allowed 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 169.592 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -106.03 163.0 13.11 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.911 1.684 . . . . 0.0 110.22 165.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -47.77 -60.55 2.49 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 127.339 2.255 . . . . 0.0 113.038 -176.64 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -74.02 -27.55 61.01 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.639 1.176 . . . . 0.0 112.25 -175.138 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -110.65 69.7 0.7 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.878 1.671 . . . . 0.0 109.653 -178.687 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 69.0 m -97.41 105.75 17.95 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 127.128 2.171 . . . . 0.0 106.699 172.244 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -121.94 152.73 39.37 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.531 1.133 . . . . 0.0 112.984 -156.332 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 91.8 m -70.44 116.61 10.98 Favored 'General case' 0 C--N 1.344 0.328 0 C-N-CA 125.552 1.541 . . . . 0.0 111.125 174.661 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.3 mt . . . . . 0 C--O 1.252 1.206 0 C-N-CA 125.791 1.636 . . . . 0.0 109.821 -174.179 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.545 0.755 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 77.1 p -74.04 91.72 2.08 Favored 'General case' 0 C--N 1.344 0.368 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 174.01 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -86.4 132.76 33.87 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 126.74 2.016 . . . . 0.0 108.844 -164.31 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.5 t -68.87 176.86 2.85 Favored 'General case' 0 C--N 1.345 0.393 0 CA-C-O 122.917 1.341 . . . . 0.0 112.582 -166.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -64.65 126.63 28.52 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 112.674 -2.057 . . . . 0.0 108.076 169.724 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 25.8 m-90 65.44 98.19 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.071 1.348 . . . . 0.0 108.903 -166.065 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -177.35 114.57 0.47 Allowed Glycine 0 C--N 1.339 0.718 0 N-CA-C 107.38 -2.288 . . . . 0.0 107.38 -167.023 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -57.25 140.46 49.77 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.357 0.663 . . . . 0.0 109.706 -179.05 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.7 p -135.38 -42.35 0.71 Allowed 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.231 1.412 . . . . 0.0 110.473 -169.54 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -101.32 -137.15 9.61 Favored Glycine 0 CA--C 1.532 1.114 0 N-CA-C 109.062 -1.615 . . . . 0.0 109.062 169.327 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.84 127.41 0.64 Allowed Glycine 0 CA--C 1.532 1.148 0 C-N-CA 124.209 0.909 . . . . 0.0 112.04 175.643 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 83.1 mt -70.78 115.15 9.95 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 C-N-CA 124.549 1.14 . . . . 0.0 108.554 178.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 126.12 -55.79 0.73 Allowed Glycine 0 N--CA 1.482 1.717 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 -177.182 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -65.11 122.44 17.06 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.051 1.341 . . . . 0.0 109.886 178.261 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 64.4 m -130.86 72.44 1.5 Allowed 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.603 1.561 . . . . 0.0 108.257 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -151.91 -168.61 16.44 Favored Glycine 0 CA--C 1.531 1.042 0 C-N-CA 125.255 1.407 . . . . 0.0 111.189 179.311 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -42.34 118.46 1.18 Allowed 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 116.189 1.922 . . . . 0.0 116.189 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.464 ' H ' ' HD3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -93.4 -27.85 16.49 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 127.151 2.18 . . . . 0.0 112.148 169.275 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 52.2 m -65.61 89.94 0.11 Allowed 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.073 1.749 . . . . 0.0 110.789 -176.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 62.0 m -61.62 141.1 58.01 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 126.764 2.026 . . . . 0.0 110.02 171.638 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.7 t -69.62 171.77 8.45 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.184 0.594 . . . . 0.0 110.432 -174.556 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.9 t -58.21 124.42 19.35 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.758 0.823 . . . . 0.0 110.961 -179.135 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 109.56 -36.51 4.27 Favored Glycine 0 CA--C 1.536 1.385 0 C-N-CA 125.259 1.409 . . . . 0.0 111.974 -171.723 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 49.3 p -107.51 145.7 32.77 Favored 'General case' 0 C--N 1.344 0.36 0 C-N-CA 125.423 1.489 . . . . 0.0 111.577 -174.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 81.3 p -126.08 152.36 45.95 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 126.708 2.003 . . . . 0.0 109.112 174.018 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 43.4 t -69.27 110.37 4.59 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 179.493 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -106.19 178.84 4.44 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 126.281 1.832 . . . . 0.0 111.088 -177.51 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -144.12 131.38 20.76 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.38 1.472 . . . . 0.0 109.289 -170.457 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 43.8 t -110.87 -77.32 0.59 Allowed 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 106.814 -1.55 . . . . 0.0 106.814 169.194 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -106.2 -179.06 3.83 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.741 1.616 . . . . 0.0 111.219 165.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -54.8 -59.19 5.07 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.922 1.689 . . . . 0.0 112.059 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -74.79 -25.63 59.19 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.523 1.529 . . . . 0.0 112.547 -172.262 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -110.17 86.96 2.4 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.716 1.207 . . . . 0.0 109.137 -176.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 72.8 m -116.14 107.51 14.99 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 126.359 1.863 . . . . 0.0 107.79 175.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -123.57 150.73 43.71 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.433 1.493 . . . . 0.0 112.014 -163.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 68.8 m -70.54 118.33 13.21 Favored 'General case' 0 C--N 1.344 0.345 0 C-N-CA 125.641 1.577 . . . . 0.0 110.933 174.176 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.0 mt . . . . . 0 C--O 1.252 1.186 0 C-N-CA 125.773 1.629 . . . . 0.0 109.965 -175.042 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.541 0.616 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.3 p -78.67 90.34 4.59 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 106.925 -1.509 . . . . 0.0 106.925 166.7 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -84.31 134.35 34.51 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 126.426 1.891 . . . . 0.0 109.023 -167.678 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.4 t -65.84 172.92 3.2 Favored 'General case' 0 C--N 1.346 0.435 0 CA-C-O 122.957 1.361 . . . . 0.0 112.971 -168.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 22.2 t-160 -61.31 128.34 35.89 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 112.605 -2.088 . . . . 0.0 108.215 166.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 26.0 m-90 64.62 96.78 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.124 1.37 . . . . 0.0 108.94 -167.027 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -168.79 112.92 0.5 Allowed Glycine 0 C--N 1.34 0.765 0 N-CA-C 108.068 -2.013 . . . . 0.0 108.068 -168.176 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -63.85 108.98 1.6 Allowed 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.476 0.711 . . . . 0.0 109.142 -175.506 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.0 p -89.09 -52.72 4.93 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.118 1.367 . . . . 0.0 108.853 176.391 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -108.29 133.72 11.82 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 125.206 1.384 . . . . 0.0 109.66 174.107 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 167.12 131.45 1.27 Allowed Glycine 0 CA--C 1.53 1.022 0 N-CA-C 108.893 -1.683 . . . . 0.0 108.893 -178.281 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 69.5 mt -78.85 76.41 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 C-N-CA 124.809 1.244 . . . . 0.0 108.592 -172.38 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 175.21 -59.79 0.11 Allowed Glycine 0 N--CA 1.484 1.894 0 N-CA-C 108.032 -2.027 . . . . 0.0 108.032 -171.343 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -75.67 130.86 39.41 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.327 1.851 . . . . 0.0 109.929 177.163 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 71.1 m -136.93 89.87 2.48 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.481 1.512 . . . . 0.0 108.487 175.421 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -170.36 -133.49 1.61 Allowed Glycine 0 CA--C 1.531 1.035 0 N-CA-C 111.271 -0.731 . . . . 0.0 111.271 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -62.87 106.48 0.82 Allowed 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 126.836 2.054 . . . . 0.0 115.725 -179.727 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -80.01 -29.9 39.49 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.506 1.522 . . . . 0.0 112.083 160.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 51.1 m -63.71 92.43 0.07 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.614 1.566 . . . . 0.0 111.303 -173.631 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 62.3 m -64.83 144.49 57.23 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 127.229 2.212 . . . . 0.0 110.169 174.103 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.5 t -72.16 180.0 3.08 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.711 0.804 . . . . 0.0 111.231 -173.154 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.7 m -55.68 122.38 11.25 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.865 1.266 . . . . 0.0 111.018 178.733 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.79 8.86 69.19 Favored Glycine 0 CA--C 1.539 1.538 0 C-N-CA 125.223 1.392 . . . . 0.0 114.322 -177.696 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 66.2 p -137.84 142.34 40.75 Favored 'General case' 0 C--N 1.345 0.387 0 C-N-CA 125.4 1.48 . . . . 0.0 110.111 177.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 60.2 p -125.99 153.61 44.09 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 126.16 1.784 . . . . 0.0 109.308 175.586 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 32.4 t -68.04 101.61 1.16 Allowed 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 177.197 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -98.36 177.42 5.37 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 126.237 1.815 . . . . 0.0 110.345 178.725 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -136.12 132.48 36.13 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 125.078 1.351 . . . . 0.0 109.88 -172.662 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.7 m -120.88 -72.98 0.66 Allowed 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.209 1.404 . . . . 0.0 107.492 168.683 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -103.06 169.5 8.52 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.783 1.633 . . . . 0.0 110.3 170.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -57.19 -54.0 51.72 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.517 1.527 . . . . 0.0 110.545 168.525 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -74.37 -30.07 61.82 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.684 1.194 . . . . 0.0 111.822 -177.792 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -113.43 84.72 2.06 Favored 'General case' 0 C--N 1.346 0.413 0 C-N-CA 124.932 1.293 . . . . 0.0 109.951 179.191 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.0 m -114.08 115.61 27.84 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.65 1.18 . . . . 0.0 108.344 169.598 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -128.44 153.25 47.31 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.941 1.296 . . . . 0.0 112.641 -157.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 86.5 m -69.8 120.5 15.64 Favored 'General case' 0 C--N 1.344 0.355 0 C-N-CA 125.773 1.629 . . . . 0.0 111.108 174.399 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.0 mt . . . . . 0 C--O 1.251 1.136 0 C-N-CA 125.719 1.608 . . . . 0.0 109.615 -175.51 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.544 0.715 0 CA-C-O 121.046 0.451 . . . . 0.0 110.813 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 26.3 p -101.67 110.73 22.77 Favored 'General case' 0 C--N 1.343 0.287 0 N-CA-C 104.507 -2.405 . . . . 0.0 104.507 157.742 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.1 143.76 43.22 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 -159.778 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.1 t -64.15 174.7 1.48 Allowed 'General case' 0 C--N 1.344 0.367 0 CA-C-O 122.77 1.272 . . . . 0.0 111.588 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -59.73 126.55 28.03 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 113.205 -1.816 . . . . 0.0 107.878 166.394 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 23.9 m-90 63.51 95.7 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.347 1.459 . . . . 0.0 109.036 -164.059 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -161.51 125.55 1.45 Allowed Glycine 0 C--N 1.343 0.942 0 N-CA-C 108.161 -1.976 . . . . 0.0 108.161 -174.719 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -69.87 97.34 1.1 Allowed 'General case' 0 C--N 1.342 0.259 0 C-N-CA 124.133 0.973 . . . . 0.0 110.64 -174.025 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.6 p -89.61 -22.32 22.38 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.515 1.526 . . . . 0.0 111.137 175.523 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -74.73 -158.61 6.41 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 125.975 1.75 . . . . 0.0 110.867 172.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.45 106.83 0.44 Allowed Glycine 0 CA--C 1.527 0.794 0 N-CA-C 110.732 -0.947 . . . . 0.0 110.732 170.219 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 84.7 mt -69.48 95.24 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.442 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 173.279 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 144.67 -65.4 0.45 Allowed Glycine 0 N--CA 1.48 1.57 0 N-CA-C 108.333 -1.907 . . . . 0.0 108.333 -171.514 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -87.53 76.66 8.93 Favored 'General case' 0 C--N 1.345 0.382 0 C-N-CA 123.793 0.837 . . . . 0.0 108.778 172.032 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 65.0 m -123.65 47.49 2.02 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.572 1.149 . . . . 0.0 109.233 168.412 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -86.89 -83.96 1.14 Allowed Glycine 0 C--N 1.344 1.014 0 N-CA-C 108.06 -2.016 . . . . 0.0 108.06 173.519 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.9 p -89.8 117.07 28.37 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 124.64 1.176 . . . . 0.0 110.522 171.368 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.8 -23.0 5.16 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 127.948 2.499 . . . . 0.0 111.357 179.558 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 54.1 m -70.49 92.43 0.83 Allowed 'General case' 0 C--N 1.346 0.449 0 C-N-CA 125.966 1.706 . . . . 0.0 110.057 -175.402 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 65.8 m -57.05 142.71 41.16 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.666 1.986 . . . . 0.0 110.758 175.315 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.1 t -71.87 173.51 8.19 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 122.965 0.506 . . . . 0.0 111.168 -172.672 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.1 t -57.16 126.2 26.14 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.951 0.9 . . . . 0.0 111.133 -178.424 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 104.66 -36.86 4.11 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 125.13 1.347 . . . . 0.0 111.992 -171.648 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 58.6 p -106.53 140.05 40.03 Favored 'General case' 0 C--N 1.343 0.324 0 C-N-CA 125.446 1.498 . . . . 0.0 111.394 -174.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 29.4 p -127.28 157.52 39.64 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.047 1.739 . . . . 0.0 109.914 169.742 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 42.1 t -73.61 93.32 2.03 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.388 1.475 . . . . 0.0 110.423 -172.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -88.36 135.06 33.64 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 126.871 2.068 . . . . 0.0 110.381 -179.175 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -99.56 133.88 43.24 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.674 1.59 . . . . 0.0 111.026 -171.295 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.5 t -117.45 -73.17 0.65 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.54 1.536 . . . . 0.0 107.59 167.768 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -102.52 169.76 8.46 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.921 1.689 . . . . 0.0 110.451 172.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -55.09 -56.01 24.62 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.312 1.445 . . . . 0.0 110.541 168.216 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -78.44 -25.87 46.08 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.399 1.08 . . . . 0.0 112.723 -175.128 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -112.89 93.62 4.51 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.112 1.365 . . . . 0.0 109.839 177.305 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.0 t -115.72 129.9 56.64 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 106.143 -1.799 . . . . 0.0 106.143 164.582 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -128.13 146.52 50.68 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.401 1.081 . . . . 0.0 111.954 -169.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 98.1 m -72.77 115.66 12.33 Favored 'General case' 0 C--N 1.341 0.232 0 C-N-CA 125.652 1.581 . . . . 0.0 110.374 175.099 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 77.8 mt . . . . . 0 C--O 1.251 1.149 0 CA-C-O 116.945 -1.503 . . . . 0.0 110.104 -174.754 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.542 0.666 0 CA-C-O 120.812 0.339 . . . . 0.0 111.274 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 56.5 p -79.59 87.31 5.17 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 106.749 -1.575 . . . . 0.0 106.749 167.252 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -74.99 129.76 38.19 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 126.325 1.85 . . . . 0.0 109.933 -163.493 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.6 t -63.33 169.14 3.84 Favored 'General case' 0 C--N 1.344 0.36 0 CA-C-O 122.805 1.288 . . . . 0.0 112.028 -173.068 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.411 ' HA ' HG21 ' A' ' 25' ' ' THR . 1.1 t60 -62.09 125.26 23.24 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 112.866 -1.97 . . . . 0.0 107.597 167.696 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 25.6 m-90 65.94 98.07 0.05 OUTLIER 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.276 1.431 . . . . 0.0 108.672 -166.034 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -178.66 122.55 0.81 Allowed Glycine 0 C--N 1.339 0.732 0 N-CA-C 107.522 -2.231 . . . . 0.0 107.522 -166.038 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -65.96 144.57 56.68 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.992 0.396 . . . . 0.0 110.0 -170.696 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.7 p -146.42 14.79 1.27 Allowed 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.967 1.707 . . . . 0.0 111.985 -171.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 178.6 134.17 2.05 Favored Glycine 0 CA--C 1.531 1.062 0 N-CA-C 109.549 -1.421 . . . . 0.0 109.549 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 163.62 147.51 5.09 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 125.094 1.331 . . . . 0.0 111.563 -179.082 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 53.9 mt -84.43 64.66 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 C-N-CA 124.965 1.306 . . . . 0.0 107.936 177.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 177.34 -64.06 0.09 OUTLIER Glycine 0 N--CA 1.484 1.891 0 N-CA-C 108.121 -1.992 . . . . 0.0 108.121 -171.509 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -70.36 122.5 19.71 Favored 'General case' 0 C--N 1.345 0.399 0 C-N-CA 125.416 1.486 . . . . 0.0 109.115 174.189 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.0 m -130.79 73.87 1.56 Allowed 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 125.491 1.517 . . . . 0.0 107.955 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -153.44 -162.21 10.88 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 124.837 1.208 . . . . 0.0 111.748 -176.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -45.55 117.82 1.57 Allowed 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 126.536 1.934 . . . . 0.0 114.922 -178.411 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.92 -20.79 16.61 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 126.094 1.758 . . . . 0.0 112.571 167.361 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 41.2 m -67.39 86.35 0.18 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.028 1.731 . . . . 0.0 110.53 178.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 61.5 m -57.0 145.91 28.85 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.885 2.074 . . . . 0.0 110.559 171.11 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.7 t -73.12 169.16 17.59 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.299 0.64 . . . . 0.0 110.22 -175.21 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 80.5 p -59.47 120.1 8.75 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.844 0.858 . . . . 0.0 110.597 177.827 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 117.82 -38.67 2.86 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 125.285 1.421 . . . . 0.0 111.484 -169.449 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.411 HG21 ' HA ' ' A' ' 6' ' ' HIS . 31.8 p -112.68 147.77 36.07 Favored 'General case' 0 C--N 1.345 0.389 0 C-N-CA 125.455 1.502 . . . . 0.0 112.182 -175.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 73.6 p -128.01 157.62 40.14 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 127.375 2.27 . . . . 0.0 109.522 170.649 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 41.1 t -77.34 106.02 8.82 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.806 0.843 . . . . 0.0 110.589 -174.684 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -96.07 135.1 38.31 Favored 'General case' 0 C--N 1.343 0.29 0 C-N-CA 127.317 2.247 . . . . 0.0 110.47 178.754 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -92.9 134.18 35.35 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.836 1.654 . . . . 0.0 109.392 175.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 68.8 m -111.39 -80.02 0.58 Allowed 'General case' 0 C--N 1.344 0.342 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 171.084 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -107.56 177.46 4.83 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.673 1.589 . . . . 0.0 111.916 169.554 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -51.42 -55.51 18.3 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.397 1.879 . . . . 0.0 112.031 179.182 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -77.65 -27.54 51.04 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.085 1.354 . . . . 0.0 112.669 -173.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -115.27 100.23 7.98 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.706 1.202 . . . . 0.0 111.189 -176.023 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.1 t -112.38 129.84 56.17 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 159.739 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -129.77 148.46 51.65 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.543 1.537 . . . . 0.0 111.729 -171.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 94.8 m -72.5 116.5 13.04 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.964 1.706 . . . . 0.0 110.986 175.146 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 94.9 mt . . . . . 0 C--O 1.252 1.192 0 C-N-CA 125.783 1.633 . . . . 0.0 110.449 -174.256 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.545 0.755 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 38.2 p -102.54 118.92 37.91 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 105.904 -1.887 . . . . 0.0 105.904 166.595 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.96 144.44 31.86 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 -168.831 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.8 t -64.79 174.81 1.69 Allowed 'General case' 0 C--N 1.344 0.336 0 CA-C-O 122.759 1.266 . . . . 0.0 111.296 175.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 22.1 t-160 -58.25 128.03 35.09 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 113.299 -1.773 . . . . 0.0 107.817 164.195 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 27.0 m-90 65.7 96.35 0.05 Allowed 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.177 1.391 . . . . 0.0 109.1 -165.054 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -166.8 120.74 0.93 Allowed Glycine 0 CA--C 1.532 1.132 0 N-CA-C 108.917 -1.673 . . . . 0.0 108.917 -172.684 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -74.63 111.45 9.83 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 125.355 1.462 . . . . 0.0 111.342 -172.613 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.4 p -90.89 -48.46 7.0 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.001 0.52 . . . . 0.0 110.505 172.542 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -105.5 85.87 0.47 Allowed Glycine 0 C--N 1.344 0.998 0 N-CA-C 109.529 -1.428 . . . . 0.0 109.529 -174.103 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -142.58 116.43 1.04 Allowed Glycine 0 CA--C 1.529 0.912 0 C-N-CA 126.251 1.882 . . . . 0.0 109.029 170.397 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 93.1 mt -44.78 -30.33 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.558 1.254 0 N-CA-C 116.07 1.878 . . . . 0.0 116.07 -175.579 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -89.04 -43.64 5.3 Favored Glycine 0 N--CA 1.488 2.126 0 CA-C-N 121.567 1.985 . . . . 0.0 110.405 175.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -56.58 117.58 4.01 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.496 1.518 . . . . 0.0 110.226 176.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.9 m -136.39 79.41 1.76 Allowed 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 125.451 1.5 . . . . 0.0 108.32 178.325 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -149.54 -119.94 1.01 Allowed Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.154 -1.178 . . . . 0.0 110.154 -179.322 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.2 p -89.64 122.25 32.59 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 125.843 1.657 . . . . 0.0 113.627 -177.324 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -91.36 -48.05 7.12 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 126.663 1.985 . . . . 0.0 111.396 175.007 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 49.6 m -62.63 99.75 0.16 Allowed 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.979 1.712 . . . . 0.0 112.092 -166.164 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 65.4 m -57.66 153.24 13.72 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 126.355 1.862 . . . . 0.0 111.625 173.421 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.8 t -75.16 175.93 7.8 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 121.283 0.563 . . . . 0.0 111.054 -177.208 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 56.2 m -59.46 131.97 52.58 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.095 0.958 . . . . 0.0 111.115 -179.026 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.6 -37.81 3.32 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 124.908 1.242 . . . . 0.0 112.111 -172.438 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 37.9 p -101.33 141.18 34.58 Favored 'General case' 0 C--N 1.344 0.358 0 C-N-CA 125.092 1.357 . . . . 0.0 111.143 -175.32 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 71.7 p -125.64 149.01 48.79 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 126.535 1.934 . . . . 0.0 108.024 170.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 36.4 t -70.25 101.14 1.83 Allowed 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 -179.185 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -80.42 177.68 8.82 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.866 1.666 . . . . 0.0 110.024 175.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -137.86 132.28 32.29 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.338 1.055 . . . . 0.0 110.305 -170.325 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 68.9 m -122.09 -70.56 0.77 Allowed 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.537 1.535 . . . . 0.0 107.331 167.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -102.85 168.98 8.87 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.035 1.734 . . . . 0.0 110.23 171.483 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -60.23 -48.18 82.84 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.578 1.151 . . . . 0.0 110.435 168.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -76.62 -28.06 55.96 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.834 1.254 . . . . 0.0 111.884 -176.068 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -114.5 86.76 2.49 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.869 1.267 . . . . 0.0 109.727 178.771 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.8 m -115.67 113.09 23.06 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.476 1.11 . . . . 0.0 108.253 170.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -127.56 145.17 50.95 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.235 1.414 . . . . 0.0 112.724 -158.55 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 80.2 m -62.36 119.2 8.63 Favored 'General case' 0 C--N 1.346 0.437 0 C-N-CA 125.997 1.719 . . . . 0.0 112.019 176.009 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.1 mt . . . . . 0 C--O 1.251 1.171 0 C-N-CA 126.021 1.728 . . . . 0.0 109.718 -178.02 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.542 0.646 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.7 p -81.55 100.84 9.6 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 106.199 -1.778 . . . . 0.0 106.199 161.162 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -74.81 128.78 36.39 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.833 1.253 . . . . 0.0 109.221 -165.761 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.9 t -63.79 174.66 1.35 Allowed 'General case' 0 C--N 1.345 0.399 0 CA-C-O 122.968 1.366 . . . . 0.0 112.232 -179.225 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -64.26 128.05 34.13 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 112.88 -1.964 . . . . 0.0 108.25 170.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 28.5 m-90 66.12 98.29 0.05 OUTLIER 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.367 1.467 . . . . 0.0 108.982 -167.33 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -171.42 115.79 0.6 Allowed Glycine 0 C--N 1.34 0.803 0 N-CA-C 108.111 -1.995 . . . . 0.0 108.111 -172.345 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -62.32 104.47 0.5 Allowed 'General case' 0 C--N 1.342 0.245 0 C-N-CA 124.13 0.972 . . . . 0.0 109.486 -177.671 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.4 p -91.39 -42.85 10.09 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 125.786 1.634 . . . . 0.0 110.594 -171.708 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -120.4 143.58 16.64 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 125.995 1.76 . . . . 0.0 110.506 178.447 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 165.06 141.55 3.16 Favored Glycine 0 CA--C 1.529 0.919 0 C-N-CA 124.607 1.099 . . . . 0.0 112.062 179.447 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 55.1 mt -84.85 65.92 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 C-N-CA 125.199 1.399 . . . . 0.0 107.794 176.315 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -178.99 -64.36 0.07 OUTLIER Glycine 0 N--CA 1.485 1.916 0 N-CA-C 108.123 -1.991 . . . . 0.0 108.123 -173.053 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -67.42 133.4 49.5 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.388 1.475 . . . . 0.0 109.35 172.641 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.5 m -134.47 80.4 1.85 Allowed 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 125.27 1.428 . . . . 0.0 108.284 -177.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -165.1 -157.52 9.8 Favored Glycine 0 CA--C 1.532 1.136 0 C-N-CA 124.377 0.989 . . . . 0.0 111.734 -179.056 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -51.39 125.3 13.96 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 127.036 2.134 . . . . 0.0 114.523 -176.315 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.3 mtmm -95.57 -44.08 7.65 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.556 1.543 . . . . 0.0 110.145 174.289 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 62.2 m -59.96 95.81 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.938 2.095 . . . . 0.0 111.657 -168.556 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 63.7 m -61.41 145.46 51.58 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 126.429 1.892 . . . . 0.0 110.685 174.12 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.8 t -73.65 175.92 6.7 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.596 0.759 . . . . 0.0 111.015 -173.22 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.3 t -58.4 118.19 5.29 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.508 1.123 . . . . 0.0 110.426 177.692 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 107.74 -14.74 38.13 Favored Glycine 0 CA--C 1.538 1.489 0 C-N-CA 125.433 1.492 . . . . 0.0 113.793 -175.267 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 40.8 p -127.86 141.44 51.56 Favored 'General case' 0 C--N 1.344 0.33 0 C-N-CA 125.779 1.632 . . . . 0.0 110.739 -178.081 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.8 p -127.44 157.79 39.09 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 126.157 1.783 . . . . 0.0 109.97 169.385 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 42.9 t -74.28 94.46 2.5 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.349 1.46 . . . . 0.0 110.31 -171.527 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -91.21 134.94 34.14 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 126.407 1.883 . . . . 0.0 110.516 -177.524 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -82.91 133.89 35.1 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.748 1.619 . . . . 0.0 110.035 178.539 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.6 m -118.73 -73.47 0.64 Allowed 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.861 1.264 . . . . 0.0 107.824 168.783 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -102.95 166.59 10.36 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.802 1.641 . . . . 0.0 110.552 171.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -50.57 -53.68 28.55 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.416 1.887 . . . . 0.0 111.03 169.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -79.35 -29.99 42.45 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.925 1.29 . . . . 0.0 112.591 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -112.41 92.86 4.18 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 119.521 1.055 . . . . 0.0 111.041 -174.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.72 130.38 48.1 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 162.18 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -131.01 148.81 52.8 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.805 1.242 . . . . 0.0 111.923 -173.445 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 91.2 m -70.71 118.78 13.94 Favored 'General case' 0 C--N 1.343 0.29 0 C-N-CA 125.821 1.648 . . . . 0.0 110.832 174.762 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 79.2 mt . . . . . 0 C--O 1.251 1.135 0 CA-C-O 116.912 -1.518 . . . . 0.0 110.104 -175.475 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.542 0.653 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 63.6 p -77.42 83.86 3.84 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 168.085 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -74.99 130.52 39.5 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 126.791 2.036 . . . . 0.0 109.541 -166.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.5 t -65.28 173.85 2.36 Favored 'General case' 0 C--N 1.344 0.36 0 CA-C-O 123.073 1.416 . . . . 0.0 112.016 -173.61 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -62.2 127.02 29.37 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 112.656 -2.066 . . . . 0.0 108.082 170.217 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 26.0 m-90 66.59 98.93 0.05 OUTLIER 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.337 1.455 . . . . 0.0 108.562 -165.713 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -170.4 116.38 0.64 Allowed Glycine 0 C--N 1.34 0.796 0 N-CA-C 108.015 -2.034 . . . . 0.0 108.015 -166.462 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -67.77 108.76 3.08 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.51 0.724 . . . . 0.0 109.511 -171.724 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.1 p -89.77 -30.38 18.03 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.792 1.237 . . . . 0.0 110.83 171.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -77.48 -144.16 1.98 Allowed Glycine 0 CA--C 1.533 1.189 0 C-N-CA 125.324 1.44 . . . . 0.0 111.892 176.179 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.36 106.99 0.34 Allowed Glycine 0 C--N 1.342 0.863 0 C-N-CA 124.444 1.021 . . . . 0.0 110.882 176.269 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 57.6 mt -80.28 68.11 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 170.685 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 172.53 -59.71 0.15 Allowed Glycine 0 N--CA 1.485 1.946 0 N-CA-C 107.405 -2.278 . . . . 0.0 107.405 -164.085 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -62.54 126.83 28.67 Favored 'General case' 0 C--N 1.345 0.379 0 C-N-CA 125.338 1.455 . . . . 0.0 108.811 167.586 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.4 m -135.08 83.03 1.99 Allowed 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.757 1.223 . . . . 0.0 108.568 -177.312 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -169.75 -139.66 2.78 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 111.126 -0.789 . . . . 0.0 111.126 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.0 117.9 5.63 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 116.272 1.953 . . . . 0.0 116.272 -173.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.485 ' H ' ' HD3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -94.67 -28.77 15.17 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 127.091 2.156 . . . . 0.0 111.718 162.535 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.0 m -67.94 90.07 0.3 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.879 1.672 . . . . 0.0 110.923 -175.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 63.2 m -60.0 150.84 27.9 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 127.481 2.312 . . . . 0.0 110.824 172.51 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.0 t -75.63 173.84 10.52 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.244 0.618 . . . . 0.0 110.718 -174.017 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 78.2 p -59.17 114.44 2.62 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.63 1.172 . . . . 0.0 110.489 177.082 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 112.36 -13.92 25.6 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 125.498 1.523 . . . . 0.0 113.649 -174.574 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 40.3 p -129.25 145.69 51.3 Favored 'General case' 0 C--N 1.344 0.351 0 C-N-CA 125.652 1.581 . . . . 0.0 111.405 -178.297 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 56.5 p -128.87 152.62 48.32 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 127.473 2.309 . . . . 0.0 109.511 174.741 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 18.5 t -69.39 97.24 0.96 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.874 1.27 . . . . 0.0 109.86 -179.318 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.58 129.22 34.94 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 126.431 1.892 . . . . 0.0 109.442 177.849 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -93.88 133.97 36.74 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.334 1.454 . . . . 0.0 109.822 -178.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.9 m -124.08 -73.4 0.64 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.842 1.257 . . . . 0.0 107.878 168.702 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -103.09 166.6 10.34 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.59 1.556 . . . . 0.0 110.396 169.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -55.52 -52.04 65.02 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.827 1.651 . . . . 0.0 110.729 170.096 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -76.55 -31.47 57.61 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.511 1.124 . . . . 0.0 112.253 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -112.87 86.8 2.44 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.461 1.104 . . . . 0.0 109.873 -178.64 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.0 m -116.9 132.43 56.7 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.912 1.285 . . . . 0.0 107.866 162.256 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -138.0 148.75 45.46 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.815 1.246 . . . . 0.0 111.449 -165.575 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 86.8 m -71.99 118.33 14.71 Favored 'General case' 0 C--N 1.342 0.269 0 C-N-CA 125.624 1.57 . . . . 0.0 111.05 176.732 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.1 mt . . . . . 0 C--O 1.252 1.203 0 C-N-CA 125.488 1.515 . . . . 0.0 110.251 -176.37 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 90.5 p . . . . . 0 N--CA 1.475 0.798 0 N-CA-C 111.743 0.275 . . . . 0.0 111.743 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -64.21 155.81 30.66 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.959 1.303 . . . . 0.0 112.734 179.327 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 34.1 p -80.44 105.03 11.39 Favored 'General case' 0 C--N 1.342 0.256 0 N-CA-C 105.923 -1.88 . . . . 0.0 105.923 159.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -74.24 137.49 43.05 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.789 1.236 . . . . 0.0 109.747 -164.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.8 t -68.43 171.14 7.77 Favored 'General case' 0 C--N 1.344 0.356 0 CA-C-O 122.694 1.235 . . . . 0.0 112.181 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -62.63 130.02 43.18 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 113.005 -1.907 . . . . 0.0 108.081 166.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 28.5 m-90 64.17 96.09 0.05 OUTLIER 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.432 1.493 . . . . 0.0 109.062 -166.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -167.62 119.22 0.83 Allowed Glycine 0 C--N 1.345 1.03 0 N-CA-C 110.447 -1.061 . . . . 0.0 110.447 -171.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -69.95 111.99 6.04 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.819 1.247 . . . . 0.0 110.909 -177.021 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.1 p -90.35 -47.42 7.76 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 164.11 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -38.97 -56.36 2.18 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 127.901 2.667 . . . . 0.0 116.431 -175.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -55.33 121.13 21.27 Favored Glycine 0 C--N 1.344 1.026 0 C-N-CA 125.186 1.374 . . . . 0.0 112.493 -168.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 65.0 mt -77.74 75.47 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 125.319 1.448 . . . . 0.0 107.448 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 171.1 -40.07 0.18 Allowed Glycine 0 N--CA 1.485 1.941 0 N-CA-C 110.274 -1.131 . . . . 0.0 110.274 -161.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -51.81 153.7 2.37 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 127.097 2.159 . . . . 0.0 113.297 -176.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.4 m -78.83 69.01 4.93 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.121 1.369 . . . . 0.0 111.838 -178.204 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 82.38 -66.61 3.86 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 124.802 1.192 . . . . 0.0 114.592 162.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.2 p -71.14 120.54 16.86 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.71 1.204 . . . . 0.0 113.835 -161.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.01 -27.56 11.08 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 127.041 2.136 . . . . 0.0 112.438 172.692 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 87.7 m -72.1 86.62 1.05 Allowed 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.537 1.535 . . . . 0.0 110.474 -171.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 69.4 m -50.81 142.09 12.08 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.638 1.975 . . . . 0.0 111.012 169.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.5 t -69.24 172.67 6.61 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.955 0.902 . . . . 0.0 110.682 -173.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 84.0 p -55.81 127.53 30.59 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.899 0.88 . . . . 0.0 111.544 -179.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.86 -36.8 4.06 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 125.109 1.338 . . . . 0.0 112.284 -171.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 70.4 p -106.27 139.29 41.01 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.403 1.481 . . . . 0.0 111.074 -174.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.8 p -127.51 153.49 46.28 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.71 2.004 . . . . 0.0 109.244 167.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 36.9 t -75.48 94.61 3.15 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.362 0.665 . . . . 0.0 110.302 -172.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -81.87 128.52 34.12 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 127.322 2.249 . . . . 0.0 110.818 -177.28 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -83.34 136.64 34.28 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 126.071 1.749 . . . . 0.0 110.839 -172.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.5 m -124.83 -69.12 0.81 Allowed 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.045 1.338 . . . . 0.0 107.69 165.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -103.22 169.01 8.81 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.928 1.691 . . . . 0.0 110.015 166.417 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -56.09 -52.73 63.24 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.611 1.565 . . . . 0.0 110.991 169.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -81.65 -24.5 36.29 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.998 1.319 . . . . 0.0 112.674 -177.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -112.73 85.66 2.21 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.695 1.198 . . . . 0.0 109.666 175.074 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.9 m -116.73 120.01 37.23 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.445 1.498 . . . . 0.0 107.346 166.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -121.92 141.77 50.96 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.542 1.537 . . . . 0.0 112.052 -164.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 73.1 m -62.01 118.36 7.19 Favored 'General case' 0 C--N 1.343 0.289 0 C-N-CA 125.358 1.463 . . . . 0.0 111.109 173.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.4 mt . . . . . 0 C--O 1.251 1.163 0 CA-C-O 116.957 -1.497 . . . . 0.0 109.972 -179.53 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 66.1 m . . . . . 0 N--CA 1.475 0.822 0 CA-C-O 120.696 0.284 . . . . 0.0 111.687 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.1 p -58.68 144.0 44.86 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.629 1.572 . . . . 0.0 112.609 177.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 47.6 p -76.84 93.92 3.81 Favored 'General case' 0 C--N 1.344 0.331 0 N-CA-C 106.695 -1.594 . . . . 0.0 106.695 170.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -76.77 130.13 37.26 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 126.611 1.964 . . . . 0.0 109.346 -161.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.9 t -64.91 169.69 4.99 Favored 'General case' 0 C--N 1.343 0.308 0 CA-C-O 122.904 1.335 . . . . 0.0 111.668 -174.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -64.29 125.05 23.35 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 112.764 -2.016 . . . . 0.0 107.913 170.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 27.2 m-90 65.8 98.01 0.05 OUTLIER 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.683 1.193 . . . . 0.0 108.528 -165.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -177.4 118.32 0.63 Allowed Glycine 0 C--N 1.339 0.711 0 N-CA-C 106.933 -2.467 . . . . 0.0 106.933 -165.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -64.12 143.19 58.06 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 109.881 -0.415 . . . . 0.0 109.881 -170.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.5 p -143.45 18.03 1.87 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.135 1.774 . . . . 0.0 112.121 -173.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 174.28 140.22 3.2 Favored Glycine 0 CA--C 1.531 1.065 0 C-N-CA 125.015 1.293 . . . . 0.0 110.072 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 161.26 149.05 5.49 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 125.372 1.463 . . . . 0.0 111.125 -178.135 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 56.3 mt -82.62 66.51 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 C-N-CA 124.929 1.291 . . . . 0.0 107.742 177.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 172.38 -56.57 0.16 Allowed Glycine 0 N--CA 1.485 1.932 0 N-CA-C 109.501 -1.44 . . . . 0.0 109.501 -167.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -63.5 134.07 54.96 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.87 1.668 . . . . 0.0 111.503 -175.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.6 m -135.92 78.7 1.73 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.71 1.604 . . . . 0.0 108.214 177.266 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -163.45 -166.98 23.19 Favored Glycine 0 CA--C 1.532 1.148 0 C-N-CA 124.365 0.983 . . . . 0.0 111.756 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -56.91 122.75 12.99 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 114.919 1.452 . . . . 0.0 114.919 -177.456 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -79.97 -43.43 22.07 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.312 1.445 . . . . 0.0 111.731 163.099 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.6 m -59.08 92.53 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.803 2.041 . . . . 0.0 112.123 -172.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 58.9 m -59.78 151.82 24.45 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 127.634 2.374 . . . . 0.0 110.964 172.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.7 t -77.32 177.3 8.04 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 123.354 0.662 . . . . 0.0 110.604 -176.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 55.6 m -57.82 125.46 23.14 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.526 1.13 . . . . 0.0 110.793 178.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 99.59 -22.09 42.14 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 125.124 1.345 . . . . 0.0 113.755 -176.048 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 49.0 p -113.65 141.6 47.02 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 125.633 1.573 . . . . 0.0 110.741 -177.415 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 60.7 p -126.36 151.09 48.08 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.131 1.773 . . . . 0.0 109.057 173.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 41.8 t -69.45 106.8 3.09 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.262 0.625 . . . . 0.0 109.348 -178.381 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -104.9 175.73 5.39 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 126.844 2.057 . . . . 0.0 110.89 -178.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -132.26 136.22 46.8 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.279 1.432 . . . . 0.0 110.404 -168.324 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 71.9 m -116.67 -79.22 0.59 Allowed 'General case' 0 C--N 1.344 0.343 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 168.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -107.19 177.22 4.91 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.86 1.664 . . . . 0.0 111.455 167.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -64.57 -44.05 91.93 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.795 1.238 . . . . 0.0 112.832 -175.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -73.69 -29.44 62.29 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.403 1.081 . . . . 0.0 111.899 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -114.21 88.22 2.81 Favored 'General case' 0 C--N 1.344 0.364 0 C-N-CA 124.918 1.287 . . . . 0.0 110.306 -174.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.3 t -99.95 126.64 46.14 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 164.426 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -135.04 146.1 48.64 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.48 1.112 . . . . 0.0 112.305 -168.451 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 92.2 m -69.23 120.44 15.06 Favored 'General case' 0 C--N 1.343 0.321 0 C-N-CA 126.058 1.743 . . . . 0.0 111.487 175.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.6 mt . . . . . 0 C--O 1.251 1.165 0 C-N-CA 126.052 1.741 . . . . 0.0 109.719 -174.325 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 52.6 m . . . . . 0 N--CA 1.476 0.87 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.56 167.55 8.75 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.222 1.409 . . . . 0.0 112.539 177.418 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 37.2 p -103.55 115.47 30.56 Favored 'General case' 0 C--N 1.342 0.264 0 N-CA-C 105.81 -1.922 . . . . 0.0 105.81 162.115 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.46 141.86 28.3 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 -169.693 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.2 t -65.95 -179.58 0.75 Allowed 'General case' 0 C--N 1.344 0.335 0 CA-C-O 122.829 1.299 . . . . 0.0 111.194 178.08 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.424 ' HA ' HG21 ' A' ' 25' ' ' THR . 1.0 OUTLIER -61.79 126.86 28.84 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 113.467 -1.697 . . . . 0.0 107.68 167.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 26.6 m-90 67.09 98.57 0.05 Allowed 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.603 1.561 . . . . 0.0 108.954 -164.3 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -174.89 123.67 0.96 Allowed Glycine 0 CA--C 1.528 0.855 0 N-CA-C 107.613 -2.195 . . . . 0.0 107.613 -175.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -61.36 152.14 30.3 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.729 0.811 . . . . 0.0 112.321 -171.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.4 p -138.76 -31.45 0.72 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.424 1.49 . . . . 0.0 111.815 177.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -76.1 -171.08 31.29 Favored Glycine 0 CA--C 1.536 1.367 0 N-CA-C 111.618 -0.593 . . . . 0.0 111.618 171.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 98.46 117.02 3.73 Favored Glycine 0 C--N 1.341 0.85 0 C-N-CA 124.392 0.996 . . . . 0.0 110.702 176.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 69.3 mt -77.31 83.03 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 C-N-CA 125.25 1.42 . . . . 0.0 107.538 178.419 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 115.27 36.62 1.19 Allowed Glycine 0 N--CA 1.483 1.809 0 C-N-CA 124.181 0.896 . . . . 0.0 111.343 -175.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -88.53 156.53 19.03 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.455 1.502 . . . . 0.0 110.456 174.401 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.9 m -73.32 87.8 1.52 Allowed 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.45 1.1 . . . . 0.0 108.034 174.208 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -83.48 60.92 4.83 Favored Glycine 0 CA--C 1.528 0.854 0 N-CA-C 116.231 1.252 . . . . 0.0 116.231 -146.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.3 p -79.5 78.27 6.04 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 123.568 0.747 . . . . 0.0 111.804 148.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.38 -21.15 64.72 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.077 1.351 . . . . 0.0 112.952 169.082 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 61.3 m -70.59 95.36 1.08 Allowed 'General case' 0 C--N 1.346 0.414 0 C-N-CA 125.663 1.585 . . . . 0.0 110.317 -173.384 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 57.4 m -61.51 149.49 38.68 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.006 1.722 . . . . 0.0 110.886 172.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.9 t -75.01 172.1 12.92 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 121.097 0.475 . . . . 0.0 110.397 -176.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.7 m -66.44 99.55 0.57 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.322 1.049 . . . . 0.0 109.477 175.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 138.24 -16.47 3.41 Favored Glycine 0 CA--C 1.537 1.444 0 C-N-CA 125.696 1.617 . . . . 0.0 112.92 -171.032 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.424 HG21 ' HA ' ' A' ' 6' ' ' HIS . 17.8 p -137.89 149.88 46.62 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.867 1.667 . . . . 0.0 111.431 -177.153 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 44.3 p -127.96 157.73 39.78 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.342 1.857 . . . . 0.0 110.27 167.248 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.3 t -74.47 97.83 3.19 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.456 1.502 . . . . 0.0 109.867 -173.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -92.66 135.34 34.18 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 126.852 2.061 . . . . 0.0 110.126 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -82.81 135.62 34.91 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.649 1.58 . . . . 0.0 110.547 -177.588 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 67.6 m -121.53 -74.49 0.61 Allowed 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.817 1.247 . . . . 0.0 107.88 168.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -103.06 167.98 9.48 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 126.199 1.8 . . . . 0.0 110.529 170.416 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -55.8 -53.56 55.25 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.846 1.658 . . . . 0.0 111.014 169.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -85.25 -27.19 26.21 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.844 1.257 . . . . 0.0 112.712 -175.235 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -115.03 103.44 10.9 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.065 0.946 . . . . 0.0 110.398 174.157 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.0 m -117.22 150.54 38.58 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.601 1.161 . . . . 0.0 108.81 162.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -140.09 147.7 40.65 Favored 'General case' 0 C--N 1.345 0.381 0 C-N-CA 123.607 0.763 . . . . 0.0 112.906 -167.028 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 89.6 m -73.53 110.89 8.16 Favored 'General case' 0 C--N 1.341 0.201 0 C-N-CA 126.392 1.877 . . . . 0.0 110.097 173.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.8 mt . . . . . 0 C--O 1.252 1.197 0 CA-C-O 116.537 -1.697 . . . . 0.0 110.803 -172.524 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 93.5 p . . . . . 0 N--CA 1.476 0.847 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.78 137.37 58.07 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.31 1.444 . . . . 0.0 112.547 -176.51 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 53.3 p -75.91 92.82 3.14 Favored 'General case' 0 C--N 1.344 0.362 0 N-CA-C 106.791 -1.559 . . . . 0.0 106.791 171.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -79.8 129.25 34.33 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 126.103 1.761 . . . . 0.0 109.364 -160.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.9 t -65.32 170.98 4.19 Favored 'General case' 0 C--N 1.343 0.316 0 CA-C-O 122.9 1.333 . . . . 0.0 111.76 -172.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -63.44 124.69 21.97 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 112.823 -1.989 . . . . 0.0 107.725 170.155 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 26.9 m-90 67.72 99.29 0.05 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.987 1.315 . . . . 0.0 108.595 -165.533 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -179.06 117.03 0.55 Allowed Glycine 0 C--N 1.338 0.674 0 N-CA-C 107.109 -2.396 . . . . 0.0 107.109 -166.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -63.41 143.26 57.96 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 117.059 0.429 . . . . 0.0 109.881 -171.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 27.2 p -134.78 -40.44 0.77 Allowed 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 125.326 1.451 . . . . 0.0 110.602 -173.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -117.55 138.54 14.17 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 125.542 1.544 . . . . 0.0 109.95 175.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 161.7 136.8 2.06 Favored Glycine 0 CA--C 1.529 0.933 0 C-N-CA 124.452 1.025 . . . . 0.0 111.207 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 56.5 mt -83.23 67.83 0.53 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 C-N-CA 125.136 1.374 . . . . 0.0 108.031 179.038 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 177.38 -60.47 0.1 OUTLIER Glycine 0 N--CA 1.485 1.941 0 N-CA-C 108.481 -1.847 . . . . 0.0 108.481 -171.342 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -65.46 132.05 47.96 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.911 1.685 . . . . 0.0 110.209 175.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.7 m -135.05 76.47 1.63 Allowed 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.569 1.548 . . . . 0.0 108.048 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -158.5 -162.84 12.19 Favored Glycine 0 CA--C 1.53 1.023 0 C-N-CA 124.797 1.189 . . . . 0.0 111.589 -178.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -51.86 119.03 3.84 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 125.654 1.582 . . . . 0.0 114.718 -178.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.19 -29.05 18.49 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.06 1.744 . . . . 0.0 112.545 164.177 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 39.4 m -63.47 88.12 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.611 1.965 . . . . 0.0 111.28 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 59.1 m -59.02 150.59 24.3 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 127.37 2.268 . . . . 0.0 110.779 172.107 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.1 t -75.99 172.14 13.25 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.353 0.661 . . . . 0.0 110.308 -175.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 79.3 p -57.91 118.62 5.55 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.333 1.053 . . . . 0.0 110.623 176.335 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 112.66 -22.85 16.13 Favored Glycine 0 CA--C 1.536 1.356 0 C-N-CA 125.36 1.457 . . . . 0.0 113.436 -174.061 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 35.1 p -122.25 145.76 47.92 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 125.886 1.674 . . . . 0.0 111.312 -177.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 64.4 p -126.67 153.22 45.69 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.6 1.96 . . . . 0.0 108.952 172.032 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 39.2 t -68.44 111.3 4.59 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -109.85 176.61 5.0 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 126.395 1.878 . . . . 0.0 111.471 -176.239 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -116.03 134.12 55.3 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.086 1.754 . . . . 0.0 109.625 -177.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 68.9 m -123.25 -70.91 0.75 Allowed 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 165.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -104.08 167.94 9.44 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.4 1.48 . . . . 0.0 110.147 163.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -57.2 -53.95 52.33 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.698 1.599 . . . . 0.0 110.628 169.163 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -74.93 -31.07 61.43 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.603 1.161 . . . . 0.0 112.092 -179.322 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -112.6 84.23 1.95 Allowed 'General case' 0 C--N 1.345 0.398 0 C-N-CA 124.632 1.173 . . . . 0.0 109.745 178.277 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.9 m -108.82 125.1 51.61 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.943 1.697 . . . . 0.0 107.784 171.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -135.13 151.39 50.66 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.163 1.385 . . . . 0.0 112.302 -157.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 84.3 m -69.11 117.19 10.45 Favored 'General case' 0 C--N 1.343 0.318 0 C-N-CA 125.909 1.684 . . . . 0.0 111.276 175.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.7 mt . . . . . 0 C--O 1.251 1.175 0 C-N-CA 125.878 1.671 . . . . 0.0 110.323 -175.495 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 85.3 p . . . . . 0 N--CA 1.478 0.956 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -61.66 153.88 26.84 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.971 1.308 . . . . 0.0 112.905 -177.147 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 28.6 p -85.75 104.51 15.51 Favored 'General case' 0 C--N 1.342 0.26 0 N-CA-C 105.897 -1.89 . . . . 0.0 105.897 161.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -79.34 135.59 36.76 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.85 0.86 . . . . 0.0 109.916 -159.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.5 t -62.75 170.36 2.63 Favored 'General case' 0 C--N 1.345 0.399 0 CA-C-O 123.096 1.427 . . . . 0.0 111.995 177.095 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 17.8 t-160 -61.41 131.29 49.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 112.503 -2.135 . . . . 0.0 108.045 168.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 26.2 m-90 67.79 97.98 0.06 Allowed 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.853 1.261 . . . . 0.0 109.154 -169.162 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -176.47 114.05 0.46 Allowed Glycine 0 C--N 1.343 0.939 0 N-CA-C 109.556 -1.417 . . . . 0.0 109.556 -167.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -54.81 146.08 18.13 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.558 1.543 . . . . 0.0 111.339 179.007 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 10.4 p -142.45 -30.82 0.54 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.878 1.271 . . . . 0.0 112.384 -175.431 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -133.68 92.09 0.25 Allowed Glycine 0 C--N 1.343 0.955 0 C-N-CA 126.127 1.822 . . . . 0.0 109.559 -167.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -142.27 151.44 22.94 Favored Glycine 0 CA--C 1.528 0.906 0 C-N-CA 124.835 1.207 . . . . 0.0 111.533 174.399 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 80.9 mt -75.11 90.27 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 N-CA-C 106.678 -1.601 . . . . 0.0 106.678 176.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 127.99 -56.22 0.74 Allowed Glycine 0 N--CA 1.482 1.724 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 -169.376 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -65.93 135.14 54.35 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.341 1.056 . . . . 0.0 110.744 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 75.0 m -130.88 -85.8 0.51 Allowed 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 125.317 1.447 . . . . 0.0 107.602 173.213 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 52.04 -155.1 4.64 Favored Glycine 0 C--N 1.346 1.111 0 C-N-CA 125.015 1.293 . . . . 0.0 114.081 172.314 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.1 p -71.13 89.39 0.83 Allowed 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 125.259 1.424 . . . . 0.0 111.624 168.106 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.471 ' HD2' ' H ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -69.67 -32.5 71.17 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.5 1.12 . . . . 0.0 112.516 172.142 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 98.0 m -71.69 108.83 5.23 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 126.438 1.895 . . . . 0.0 110.69 -174.078 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.5 m -53.41 168.74 0.15 Allowed 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 126.028 1.731 . . . . 0.0 113.445 166.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.1 t -89.17 175.47 7.36 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.964 1.306 . . . . 0.0 109.657 167.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.4 m -59.9 138.43 57.82 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.241 1.016 . . . . 0.0 111.552 179.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.87 -37.91 3.28 Favored Glycine 0 CA--C 1.533 1.212 0 C-N-CA 124.919 1.247 . . . . 0.0 112.726 -174.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 40.7 p -101.27 134.67 43.96 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.03 1.732 . . . . 0.0 110.215 -178.192 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.6 p -128.18 135.21 49.41 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 125.894 1.677 . . . . 0.0 108.225 168.607 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 11.7 t -64.86 126.54 28.31 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 118.439 0.563 . . . . 0.0 112.419 -164.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -112.52 172.95 6.61 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 127.685 2.394 . . . . 0.0 110.836 -174.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -106.23 131.6 53.27 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.986 1.314 . . . . 0.0 109.975 -175.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 68.6 m -119.07 -74.72 0.6 Allowed 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 168.036 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -103.75 169.71 8.35 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.821 1.648 . . . . 0.0 110.567 170.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -56.39 -54.79 41.45 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.478 1.511 . . . . 0.0 110.618 169.065 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -74.68 -31.57 61.94 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.604 1.162 . . . . 0.0 111.85 -178.297 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -113.4 88.89 2.94 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.644 1.177 . . . . 0.0 109.684 -177.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.8 t -95.45 104.71 16.62 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 106.381 -1.711 . . . . 0.0 106.381 168.247 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -96.72 146.02 25.26 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.072 1.349 . . . . 0.0 112.613 -167.126 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 48.3 t -70.48 119.6 14.88 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.277 1.431 . . . . 0.0 110.552 174.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 97.1 mt . . . . . 0 C--O 1.251 1.151 0 CA-C-O 116.879 -1.534 . . . . 0.0 111.535 -171.828 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 60.1 m . . . . . 0 N--CA 1.477 0.887 0 CA-C-O 121.286 0.565 . . . . 0.0 112.125 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -61.11 136.24 58.01 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.861 1.664 . . . . 0.0 112.078 -178.055 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.5 p -77.39 97.35 4.9 Favored 'General case' 0 C--N 1.345 0.389 0 N-CA-C 106.557 -1.646 . . . . 0.0 106.557 169.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -74.7 129.26 37.39 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.592 1.157 . . . . 0.0 109.497 -159.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.1 t -59.78 167.23 2.21 Favored 'General case' 0 C--N 1.345 0.409 0 CA-C-O 122.901 1.334 . . . . 0.0 112.449 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -62.8 127.51 31.58 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 112.773 -2.012 . . . . 0.0 108.118 169.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 28.3 m-90 66.1 98.44 0.05 OUTLIER 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.733 1.613 . . . . 0.0 108.71 -166.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -173.32 120.7 0.82 Allowed Glycine 0 C--N 1.34 0.778 0 N-CA-C 108.431 -1.867 . . . . 0.0 108.431 -171.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -62.09 103.45 0.37 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.107 0.963 . . . . 0.0 110.032 -176.384 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.5 p -89.82 -36.44 15.11 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.334 1.454 . . . . 0.0 111.161 178.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -77.4 -178.17 47.42 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 124.12 0.867 . . . . 0.0 111.338 175.504 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 108.04 119.98 4.42 Favored Glycine 0 C--N 1.34 0.791 0 N-CA-C 110.272 -1.131 . . . . 0.0 110.272 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 69.5 mt -76.82 80.52 0.7 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 C-N-CA 125.216 1.406 . . . . 0.0 107.248 177.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 122.65 24.69 2.07 Favored Glycine 0 N--CA 1.483 1.804 0 C-N-CA 124.153 0.883 . . . . 0.0 112.412 -175.404 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -66.24 160.54 24.1 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 118.743 1.272 . . . . 0.0 111.493 171.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.9 m -75.0 67.66 1.73 Allowed 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.406 1.482 . . . . 0.0 111.749 178.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 82.34 -79.87 1.84 Allowed Glycine 0 CA--C 1.532 1.094 0 C-N-CA 125.102 1.334 . . . . 0.0 113.431 167.016 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.5 p -76.42 120.59 21.87 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.422 1.089 . . . . 0.0 113.743 -160.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.463 ' H ' ' HD3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -103.23 -23.8 13.59 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.861 1.664 . . . . 0.0 111.711 165.91 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.4 m -68.87 93.11 0.53 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.196 1.798 . . . . 0.0 110.654 -175.077 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 64.0 m -59.57 144.93 46.16 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 126.597 1.959 . . . . 0.0 110.797 172.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.3 t -73.56 172.53 11.18 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.449 0.699 . . . . 0.0 110.742 -175.108 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 54.0 m -59.52 124.09 18.95 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.975 0.91 . . . . 0.0 110.653 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 110.5 -37.43 3.75 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 125.214 1.388 . . . . 0.0 111.784 -170.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 37.6 p -109.54 143.07 39.72 Favored 'General case' 0 C--N 1.344 0.345 0 C-N-CA 125.399 1.48 . . . . 0.0 111.675 -175.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.4 p -127.48 158.8 36.42 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.185 1.794 . . . . 0.0 109.984 168.386 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 46.3 t -76.69 93.95 3.73 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.503 1.521 . . . . 0.0 110.465 -170.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -90.67 131.93 36.07 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 126.791 2.036 . . . . 0.0 111.052 -175.802 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -76.44 135.17 39.42 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 126.03 1.732 . . . . 0.0 110.902 -177.173 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.7 m -123.72 -71.14 0.73 Allowed 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.039 1.336 . . . . 0.0 107.501 165.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -103.2 168.87 8.9 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.712 1.605 . . . . 0.0 110.178 164.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -56.93 -54.69 43.78 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.708 1.603 . . . . 0.0 110.692 169.441 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -79.13 -28.43 42.87 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.446 1.099 . . . . 0.0 112.663 -177.494 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -112.77 90.1 3.25 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.477 1.111 . . . . 0.0 109.589 176.062 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.2 t -103.92 140.81 37.18 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 107.054 -1.461 . . . . 0.0 107.054 161.045 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -130.49 146.28 52.0 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.54 1.136 . . . . 0.0 111.745 -170.43 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 94.8 m -72.84 114.64 11.21 Favored 'General case' 0 C--N 1.341 0.231 0 C-N-CA 125.62 1.568 . . . . 0.0 110.533 175.277 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 76.5 mt . . . . . 0 C--O 1.251 1.152 0 CA-C-O 116.776 -1.583 . . . . 0.0 110.337 -174.14 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 69.0 m . . . . . 0 N--CA 1.475 0.802 0 N-CA-C 111.325 0.12 . . . . 0.0 111.325 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -62.14 160.25 13.14 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.473 1.509 . . . . 0.0 112.819 175.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 39.3 p -86.46 100.54 12.43 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 106.361 -1.718 . . . . 0.0 106.361 162.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.414 ' HB2' ' HB2' ' A' ' 18' ' ' CYS . 2.7 tt0 -90.57 128.53 36.61 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 126.079 1.752 . . . . 0.0 108.939 -161.507 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.9 t -66.56 173.35 3.43 Favored 'General case' 0 C--N 1.347 0.474 0 CA-C-O 122.735 1.255 . . . . 0.0 113.26 -165.662 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -57.88 126.58 28.04 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 112.768 -2.015 . . . . 0.0 108.037 166.54 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 25.7 m-90 64.98 96.95 0.05 OUTLIER 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.788 1.235 . . . . 0.0 109.263 -166.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -171.15 114.14 0.52 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 108.139 -1.984 . . . . 0.0 108.139 -171.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -65.95 105.43 1.32 Allowed 'General case' 0 C--N 1.34 0.177 0 C-N-CA 125.634 1.573 . . . . 0.0 109.204 -173.079 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.2 p -92.96 -55.82 3.21 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 126.275 1.83 . . . . 0.0 110.732 -173.127 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -112.46 76.47 0.23 Allowed Glycine 0 CA--C 1.531 1.054 0 C-N-CA 123.941 0.782 . . . . 0.0 112.19 -166.142 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -138.12 142.26 13.0 Favored Glycine 0 CA--C 1.531 1.045 0 C-N-CA 124.635 1.112 . . . . 0.0 111.24 -175.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 58.0 mt -83.16 69.31 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 C-N-CA 125.168 1.387 . . . . 0.0 108.328 -178.223 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 178.75 -61.55 0.08 OUTLIER Glycine 0 N--CA 1.485 1.94 0 N-CA-C 107.951 -2.06 . . . . 0.0 107.951 -173.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -67.54 125.27 25.63 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 126.051 1.741 . . . . 0.0 109.079 172.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 71.2 m -137.03 90.29 2.52 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.759 1.224 . . . . 0.0 109.677 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -168.88 -109.13 0.21 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.346 -1.102 . . . . 0.0 110.346 173.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.414 ' HB2' ' HB2' ' A' ' 4' ' ' GLN . 1.0 OUTLIER -88.83 103.87 16.39 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 126.296 1.838 . . . . 0.0 113.593 -176.153 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.47 -45.63 68.57 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.066 1.347 . . . . 0.0 110.433 163.377 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 93.0 m -59.22 104.63 0.26 Allowed 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 126.924 2.09 . . . . 0.0 112.291 -164.033 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.1 m -50.26 158.51 0.56 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.757 1.623 . . . . 0.0 113.243 166.141 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.0 t -78.0 172.01 14.14 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.316 0.647 . . . . 0.0 109.334 164.255 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 57.1 m -60.95 138.9 58.14 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.859 0.864 . . . . 0.0 111.688 -179.417 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.35 -40.19 2.55 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 124.986 1.279 . . . . 0.0 111.989 -174.107 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.9 p -99.52 146.67 26.13 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.396 1.478 . . . . 0.0 111.037 -176.05 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.6 p -128.01 148.05 50.52 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 126.402 1.881 . . . . 0.0 109.848 175.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 44.8 t -65.78 108.93 2.28 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.59 0.756 . . . . 0.0 109.217 178.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -108.75 176.78 4.98 Favored 'General case' 0 C--N 1.34 0.183 0 C-N-CA 127.494 2.317 . . . . 0.0 110.352 -178.137 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -127.32 134.02 50.05 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.062 1.345 . . . . 0.0 110.56 -170.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.5 m -124.58 -73.09 0.65 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.023 1.329 . . . . 0.0 107.805 166.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -103.12 168.02 9.45 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.411 1.485 . . . . 0.0 110.576 169.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -54.7 -57.08 12.91 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 126.231 1.812 . . . . 0.0 110.85 172.03 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -76.47 -31.07 57.56 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.987 1.315 . . . . 0.0 112.295 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -110.38 73.99 0.86 Allowed 'General case' 0 C--N 1.347 0.467 0 C-N-CA 124.404 1.081 . . . . 0.0 109.31 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.9 m -98.14 116.12 29.71 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.663 1.185 . . . . 0.0 107.83 165.194 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -116.87 149.44 40.06 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.138 1.375 . . . . 0.0 112.559 -163.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 52.0 t -71.22 119.83 15.92 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 126.003 1.721 . . . . 0.0 110.427 174.361 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.4 mt . . . . . 0 C--O 1.25 1.108 0 C-N-CA 125.011 1.324 . . . . 0.0 110.974 -170.445 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.7 t . . . . . 0 N--CA 1.474 0.756 0 CA-C-O 120.862 0.363 . . . . 0.0 111.54 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.96 129.82 41.11 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.333 1.453 . . . . 0.0 110.851 177.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 66.5 p -73.3 92.26 1.78 Allowed 'General case' 0 C--N 1.346 0.429 0 N-CA-C 107.033 -1.469 . . . . 0.0 107.033 172.312 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -89.89 132.52 35.25 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.882 1.673 . . . . 0.0 109.069 -160.264 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.5 t -63.86 173.47 1.79 Allowed 'General case' 0 C--N 1.346 0.423 0 CA-C-O 122.985 1.374 . . . . 0.0 112.854 -168.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.428 ' HA ' HG21 ' A' ' 25' ' ' THR . 1.0 OUTLIER -61.24 127.43 31.47 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 112.601 -2.091 . . . . 0.0 107.8 167.62 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 26.9 m-90 65.79 98.35 0.05 OUTLIER 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.155 1.382 . . . . 0.0 108.779 -165.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -171.51 115.06 0.56 Allowed Glycine 0 C--N 1.339 0.737 0 N-CA-C 107.551 -2.22 . . . . 0.0 107.551 -168.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -61.29 112.89 2.33 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.511 0.724 . . . . 0.0 109.442 -171.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.7 p -111.96 33.27 4.91 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.186 1.394 . . . . 0.0 111.665 -175.173 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 161.45 133.79 1.54 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 109.868 -1.293 . . . . 0.0 109.868 -177.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 164.8 146.13 4.65 Favored Glycine 0 CA--C 1.529 0.914 0 C-N-CA 124.985 1.279 . . . . 0.0 111.381 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 87.5 mt -72.95 97.11 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 175.106 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 135.77 -59.97 0.64 Allowed Glycine 0 N--CA 1.481 1.675 0 N-CA-C 109.17 -1.572 . . . . 0.0 109.17 -171.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -69.58 116.44 9.99 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.131 0.973 . . . . 0.0 109.359 177.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.3 m -136.38 85.74 2.17 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.233 1.413 . . . . 0.0 108.563 179.23 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -168.32 -127.86 0.95 Allowed Glycine 0 CA--C 1.531 1.052 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.17 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -70.26 99.84 1.6 Allowed 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 125.846 1.658 . . . . 0.0 114.031 -176.397 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.31 -21.67 42.33 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.396 1.478 . . . . 0.0 112.889 157.269 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 41.7 m -64.26 91.0 0.07 Allowed 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 126.4 1.88 . . . . 0.0 111.179 -179.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 62.4 m -64.77 146.43 54.82 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.556 1.942 . . . . 0.0 110.695 173.114 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.3 t -73.13 172.09 11.73 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.26 0.624 . . . . 0.0 110.762 -173.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 64.7 m -64.49 104.37 0.78 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.457 1.103 . . . . 0.0 109.695 176.481 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 132.29 -18.86 4.65 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 125.69 1.614 . . . . 0.0 112.978 -171.542 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.428 HG21 ' HA ' ' A' ' 6' ' ' HIS . 23.3 p -134.35 148.91 50.79 Favored 'General case' 0 C--N 1.344 0.329 0 C-N-CA 126.083 1.753 . . . . 0.0 111.26 -177.1 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 80.1 p -125.75 151.98 45.97 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.529 1.932 . . . . 0.0 108.606 171.425 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 40.8 t -69.63 110.16 4.7 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -177.491 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -105.17 173.77 6.16 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 126.711 2.004 . . . . 0.0 110.662 178.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -126.39 132.73 51.48 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 125.219 1.408 . . . . 0.0 110.273 -171.147 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 44.9 t -119.64 -75.56 0.58 Allowed 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.188 1.395 . . . . 0.0 107.718 168.389 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -104.02 166.16 10.59 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.986 1.714 . . . . 0.0 110.762 174.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -55.64 -51.29 67.72 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.005 1.722 . . . . 0.0 110.902 170.024 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -74.69 -31.79 62.0 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.622 1.169 . . . . 0.0 112.014 178.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -113.69 87.33 2.59 Favored 'General case' 0 C--N 1.345 0.411 0 C-N-CA 124.278 1.031 . . . . 0.0 110.516 -176.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.2 t -93.41 138.65 31.53 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 106.931 -1.507 . . . . 0.0 106.931 161.389 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -144.5 146.38 32.38 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 119.169 0.895 . . . . 0.0 113.084 -170.145 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 94.6 m -69.29 116.74 10.07 Favored 'General case' 0 C--N 1.345 0.372 0 C-N-CA 126.519 1.928 . . . . 0.0 111.286 175.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.3 mt . . . . . 0 C--O 1.252 1.189 0 CA-C-O 116.838 -1.553 . . . . 0.0 110.512 -176.854 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 84.1 p . . . . . 0 N--CA 1.478 0.927 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.61 151.88 27.77 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.587 1.155 . . . . 0.0 112.595 -177.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 36.6 p -82.38 98.1 8.68 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 163.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -74.27 135.57 42.64 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.347 1.459 . . . . 0.0 109.814 -164.188 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.1 t -65.32 173.23 2.67 Favored 'General case' 0 C--N 1.345 0.391 0 CA-C-O 122.943 1.354 . . . . 0.0 112.028 178.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 20.3 t-160 -66.21 127.26 31.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 112.822 -1.99 . . . . 0.0 108.204 171.136 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 28.1 m-90 66.47 97.45 0.05 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.884 1.274 . . . . 0.0 109.137 -169.355 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -174.38 114.31 0.5 Allowed Glycine 0 C--N 1.339 0.713 0 N-CA-C 106.902 -2.479 . . . . 0.0 106.902 -170.195 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -56.42 104.24 0.14 Allowed 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.317 1.047 . . . . 0.0 109.715 -177.059 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 24.3 p -91.84 -47.68 7.2 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.938 1.295 . . . . 0.0 110.638 -173.057 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -103.86 -145.14 14.3 Favored Glycine 0 CA--C 1.531 1.047 0 C-N-CA 125.042 1.305 . . . . 0.0 110.152 -179.164 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 84.45 136.45 3.36 Favored Glycine 0 CA--C 1.531 1.049 0 C-N-CA 124.039 0.828 . . . . 0.0 112.124 167.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 89.1 mt -67.64 124.45 23.07 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 C-N-CA 124.787 1.235 . . . . 0.0 108.977 -178.321 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 119.27 -47.32 1.04 Allowed Glycine 0 N--CA 1.483 1.832 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -178.466 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -60.38 141.76 55.85 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.949 1.3 . . . . 0.0 112.225 -172.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.4 m -136.47 84.4 2.07 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.345 1.458 . . . . 0.0 108.573 177.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -179.67 -169.38 39.92 Favored Glycine 0 CA--C 1.534 1.241 0 C-N-CA 123.6 0.619 . . . . 0.0 112.607 179.309 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -50.04 124.53 10.28 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 127.632 2.373 . . . . 0.0 114.37 -179.359 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.3 mtmm -93.01 -48.46 6.5 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.257 1.423 . . . . 0.0 109.549 173.295 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 90.1 m -59.26 103.04 0.15 Allowed 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 126.492 1.917 . . . . 0.0 111.062 -171.129 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.9 m -51.75 167.57 0.1 Allowed 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.805 2.042 . . . . 0.0 113.269 169.231 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.8 t -86.29 177.85 7.35 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.052 0.941 . . . . 0.0 109.551 168.525 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.1 t -60.7 136.69 58.14 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.252 1.021 . . . . 0.0 111.332 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.62 -33.51 5.13 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 124.903 1.239 . . . . 0.0 113.203 -176.006 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.4 p -101.47 144.61 30.04 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.711 1.605 . . . . 0.0 111.105 -176.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 81.5 p -127.7 145.41 50.91 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 127.541 2.336 . . . . 0.0 109.635 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 51.5 t -68.72 119.59 13.36 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 178.548 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -125.75 170.67 11.34 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 127.138 2.175 . . . . 0.0 110.776 -173.404 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -109.87 136.1 49.71 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 126.384 1.874 . . . . 0.0 109.432 -178.21 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.8 t -118.71 -74.33 0.61 Allowed 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.93 1.292 . . . . 0.0 107.895 169.38 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -102.66 168.26 9.37 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 126.251 1.82 . . . . 0.0 110.596 171.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -53.9 -53.78 47.86 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 126.206 1.803 . . . . 0.0 111.095 170.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -81.85 -29.26 32.61 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.043 1.337 . . . . 0.0 112.79 -177.055 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -115.44 104.57 11.89 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.375 1.47 . . . . 0.0 110.747 -179.101 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 57.2 m -115.22 115.82 27.32 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 125.93 1.692 . . . . 0.0 108.19 175.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -108.57 149.32 29.03 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.379 1.472 . . . . 0.0 113.709 -163.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 52.9 t -75.01 122.79 24.06 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.092 1.757 . . . . 0.0 110.191 171.589 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.9 mt . . . . . 0 C--O 1.251 1.139 0 CA-C-O 117.149 -1.405 . . . . 0.0 111.258 -166.973 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 66.5 m . . . . . 0 N--CA 1.476 0.843 0 CA-C-O 121.016 0.436 . . . . 0.0 112.066 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 p -70.62 86.08 0.64 Allowed 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 126.302 1.841 . . . . 0.0 110.276 173.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 66.5 p -52.34 108.51 0.3 Allowed 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.294 1.037 . . . . 0.0 109.599 -169.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -86.76 119.56 27.12 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 -150.29 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.9 t -57.02 167.09 0.88 Allowed 'General case' 0 C--N 1.347 0.469 0 CA-C-O 122.922 1.344 . . . . 0.0 112.426 -178.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -58.79 127.7 33.5 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 112.773 -2.012 . . . . 0.0 108.408 175.034 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 27.6 m-90 66.38 99.61 0.05 OUTLIER 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.278 1.431 . . . . 0.0 108.26 -163.086 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -166.27 112.51 0.5 Allowed Glycine 0 C--N 1.341 0.842 0 N-CA-C 107.722 -2.151 . . . . 0.0 107.722 -167.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -75.05 104.1 5.49 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 -168.619 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.1 p -96.76 -38.55 9.84 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 127.146 2.179 . . . . 0.0 111.465 -173.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.422 ' HA3' ' H ' ' A' ' 35' ' ' SER . . . -41.14 -65.75 1.04 Allowed Glycine 0 CA--C 1.536 1.39 0 C-N-CA 127.992 2.71 . . . . 0.0 116.829 -175.302 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -42.66 127.21 4.81 Favored Glycine 0 C--N 1.345 1.056 0 C-N-CA 126.407 1.956 . . . . 0.0 115.733 -159.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 72.0 mt -74.28 87.71 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 N-CA-C 105.347 -2.094 . . . . 0.0 105.347 165.396 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 142.25 -49.59 0.74 Allowed Glycine 0 N--CA 1.483 1.786 0 N-CA-C 109.361 -1.495 . . . . 0.0 109.361 -164.302 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -63.68 123.55 19.14 Favored 'General case' 0 C--N 1.347 0.457 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 167.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.7 m -135.56 177.65 7.66 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.315 1.046 . . . . 0.0 112.088 -173.44 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 87.16 -79.37 1.8 Allowed Glycine 0 C--N 1.342 0.882 0 N-CA-C 109.439 -1.464 . . . . 0.0 109.439 -175.2 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.5 p -118.98 87.36 2.72 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 125.936 1.694 . . . . 0.0 113.448 -170.422 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.08 -20.76 60.89 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.222 152.639 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 84.9 m -74.35 103.52 4.76 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 126.197 1.799 . . . . 0.0 110.839 -173.39 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 67.2 m -64.42 154.29 36.12 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.757 2.023 . . . . 0.0 111.288 170.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.4 t -77.55 173.74 11.66 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 121.226 0.536 . . . . 0.0 110.354 -177.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.7 t -60.08 126.3 27.01 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.924 0.89 . . . . 0.0 110.679 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 106.39 -36.48 4.37 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 125.13 1.348 . . . . 0.0 112.045 -172.027 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 36.8 p -107.72 142.56 37.53 Favored 'General case' 0 C--N 1.344 0.357 0 C-N-CA 125.219 1.408 . . . . 0.0 111.368 -175.39 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.8 p -128.18 157.94 39.43 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.01 1.724 . . . . 0.0 110.296 168.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 40.9 t -74.82 91.44 2.43 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.974 1.71 . . . . 0.0 110.321 -171.044 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -88.22 127.85 35.45 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 126.782 2.033 . . . . 0.0 111.101 -175.39 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -81.54 135.04 35.58 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 126.257 1.823 . . . . 0.0 111.257 -171.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.3 m -121.92 -70.89 0.76 Allowed 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.327 1.451 . . . . 0.0 107.425 166.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -102.5 171.98 7.13 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.844 1.658 . . . . 0.0 110.001 166.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -58.93 -55.99 28.01 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.84 1.256 . . . . 0.0 110.441 168.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -79.76 -26.38 40.73 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.5 1.12 . . . . 0.0 112.635 -174.344 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -112.58 94.28 4.84 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.995 1.318 . . . . 0.0 109.341 174.213 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.422 ' H ' ' HA3' ' A' ' 11' ' ' GLY . 12.0 t -115.76 143.5 45.3 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 106.883 -1.525 . . . . 0.0 106.883 162.676 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -135.38 145.59 47.49 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.951 0.9 . . . . 0.0 111.846 -168.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 87.2 m -71.38 115.81 10.98 Favored 'General case' 0 C--N 1.341 0.224 0 C-N-CA 125.578 1.551 . . . . 0.0 110.516 176.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 78.6 mt . . . . . 0 C--O 1.251 1.18 0 C-N-CA 125.144 1.377 . . . . 0.0 110.116 -174.777 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 88.0 p . . . . . 0 N--CA 1.475 0.813 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -56.82 147.51 23.08 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.698 1.199 . . . . 0.0 111.398 171.683 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 64.3 p -77.71 85.57 4.02 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 106.956 -1.498 . . . . 0.0 106.956 168.015 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -74.6 129.81 38.4 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 126.712 2.005 . . . . 0.0 109.314 -166.085 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.8 t -67.1 174.4 3.15 Favored 'General case' 0 C--N 1.343 0.32 0 CA-C-O 122.998 1.38 . . . . 0.0 111.982 -171.12 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -64.4 125.78 25.7 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 112.581 -2.1 . . . . 0.0 108.119 170.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 27.1 m-90 66.03 97.42 0.05 OUTLIER 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.182 1.393 . . . . 0.0 108.533 -166.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -177.64 123.76 0.9 Allowed Glycine 0 C--N 1.34 0.777 0 N-CA-C 107.814 -2.115 . . . . 0.0 107.814 -165.277 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -69.79 151.2 46.04 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 117.001 0.4 . . . . 0.0 110.636 -171.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.0 p -143.15 -46.89 0.3 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.253 1.421 . . . . 0.0 110.511 -174.219 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -116.32 60.82 0.42 Allowed Glycine 0 CA--C 1.534 1.248 0 C-N-CA 124.444 1.021 . . . . 0.0 112.483 -170.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -110.08 135.54 12.94 Favored Glycine 0 C--N 1.343 0.925 0 C-N-CA 124.351 0.976 . . . . 0.0 110.946 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 52.3 mt -83.4 64.51 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 C-N-CA 124.897 1.279 . . . . 0.0 107.62 175.355 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 168.8 -62.24 0.19 Allowed Glycine 0 N--CA 1.486 1.989 0 N-CA-C 107.857 -2.097 . . . . 0.0 107.857 -167.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -62.86 124.29 20.68 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.758 1.623 . . . . 0.0 109.363 172.616 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.5 m -130.52 75.0 1.63 Allowed 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.282 1.433 . . . . 0.0 108.342 -176.448 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -157.79 -164.07 13.46 Favored Glycine 0 CA--C 1.532 1.127 0 C-N-CA 124.768 1.175 . . . . 0.0 111.576 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -41.56 118.35 1.06 Allowed 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 126.366 1.866 . . . . 0.0 115.939 -178.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.38 -33.23 16.13 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.548 1.939 . . . . 0.0 111.118 168.207 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 33.1 m -64.68 87.43 0.06 Allowed 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.84 2.056 . . . . 0.0 111.479 -173.656 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 59.9 m -56.98 146.67 26.22 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 127.123 2.169 . . . . 0.0 110.312 170.507 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.1 t -72.37 173.35 8.86 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.021 0.529 . . . . 0.0 110.494 -174.687 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.8 t -58.06 119.12 6.23 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.226 1.01 . . . . 0.0 110.657 179.175 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 107.17 -17.08 38.11 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 125.437 1.494 . . . . 0.0 113.858 -175.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 45.1 p -119.17 144.77 46.5 Favored 'General case' 0 C--N 1.344 0.358 0 C-N-CA 125.673 1.589 . . . . 0.0 111.061 -177.019 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 74.2 p -127.31 144.85 50.97 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 127.26 2.224 . . . . 0.0 109.343 179.425 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 36.3 t -68.01 101.13 1.07 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.072 0.949 . . . . 0.0 108.808 177.307 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -105.63 118.24 36.08 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 126.555 1.942 . . . . 0.0 109.426 -173.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -73.57 134.23 43.71 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.359 1.464 . . . . 0.0 110.133 177.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.3 t -120.55 -73.32 0.65 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.933 1.293 . . . . 0.0 107.768 169.406 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -102.49 168.02 9.56 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.605 1.562 . . . . 0.0 110.152 170.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -62.16 -45.72 92.18 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.169 0.988 . . . . 0.0 111.597 174.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -78.59 -34.15 47.05 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.297 1.039 . . . . 0.0 112.163 176.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -112.35 90.97 3.49 Favored 'General case' 0 C--N 1.348 0.51 0 CA-C-N 119.591 1.087 . . . . 0.0 110.135 -175.103 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 67.5 m -118.82 122.43 42.36 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.637 1.575 . . . . 0.0 108.467 172.146 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -129.33 147.93 51.2 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.773 1.229 . . . . 0.0 112.828 -160.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 88.3 m -70.5 119.06 14.1 Favored 'General case' 0 C--N 1.343 0.313 0 C-N-CA 125.906 1.682 . . . . 0.0 110.677 173.206 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 91.2 mt . . . . . 0 C--O 1.251 1.149 0 C-N-CA 125.763 1.625 . . . . 0.0 109.981 -173.289 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 27.7 t . . . . . 0 N--CA 1.475 0.819 0 CA-C-O 120.055 -0.021 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -69.31 174.86 4.35 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.109 1.364 . . . . 0.0 113.013 -178.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 37.5 p -98.93 118.52 35.87 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 105.351 -2.092 . . . . 0.0 105.351 156.037 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.68 142.33 37.23 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 -168.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.5 t -68.07 179.11 1.6 Allowed 'General case' 0 C--N 1.344 0.363 0 CA-C-O 122.637 1.208 . . . . 0.0 111.27 -178.36 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -62.16 125.0 22.35 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 113.58 -1.646 . . . . 0.0 107.741 167.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 25.5 m-90 64.91 96.63 0.05 OUTLIER 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.017 1.327 . . . . 0.0 109.145 -163.691 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -165.79 113.84 0.56 Allowed Glycine 0 C--N 1.341 0.835 0 N-CA-C 106.878 -2.489 . . . . 0.0 106.878 -173.545 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -69.51 101.12 1.53 Allowed 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 124.287 1.035 . . . . 0.0 109.196 -170.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 24.0 p -93.93 -44.02 8.28 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 126.312 1.845 . . . . 0.0 112.017 -165.505 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -84.58 -107.41 0.62 Allowed Glycine 0 CA--C 1.532 1.14 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 -178.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 74.64 126.88 0.16 Allowed Glycine 0 CA--C 1.53 1.029 0 C-N-CA 125.264 1.412 . . . . 0.0 113.517 166.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 48.5 mt -84.15 62.08 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 C-N-CA 124.678 1.191 . . . . 0.0 107.967 173.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 178.53 -64.54 0.08 OUTLIER Glycine 0 N--CA 1.487 2.033 0 N-CA-C 108.999 -1.64 . . . . 0.0 108.999 -170.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -67.0 127.36 32.29 Favored 'General case' 0 C--N 1.344 0.367 0 C-N-CA 125.52 1.528 . . . . 0.0 109.274 176.449 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.1 m -135.5 78.9 1.75 Allowed 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 125.239 1.416 . . . . 0.0 108.227 178.298 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -154.23 -135.44 2.09 Favored Glycine 0 CA--C 1.53 0.974 0 C-N-CA 124.637 1.113 . . . . 0.0 110.398 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.2 p -74.56 117.94 16.96 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.076 1.35 . . . . 0.0 113.723 -175.532 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.13 -15.74 14.59 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 127.182 2.193 . . . . 0.0 113.73 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.4 m -75.85 90.21 2.92 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.644 1.178 . . . . 0.0 110.061 -173.581 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 61.5 m -58.08 140.81 51.86 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 126.247 1.819 . . . . 0.0 110.725 176.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.8 t -72.29 175.18 6.34 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 121.227 0.537 . . . . 0.0 111.187 -173.422 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.2 t -57.09 127.63 32.9 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.144 0.978 . . . . 0.0 111.096 -178.307 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.42 -36.67 4.12 Favored Glycine 0 CA--C 1.535 1.337 0 C-N-CA 125.063 1.316 . . . . 0.0 112.101 -171.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 60.3 p -104.48 143.63 32.77 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 125.202 1.401 . . . . 0.0 111.543 -174.633 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 65.8 p -125.55 153.56 43.47 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 126.518 1.927 . . . . 0.0 108.944 174.444 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 52.4 t -71.2 107.06 4.03 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 -178.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -105.21 179.06 4.38 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.39 1.876 . . . . 0.0 111.154 -176.313 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -135.57 133.82 38.74 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.582 1.553 . . . . 0.0 109.483 -175.172 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 73.7 m -123.7 -77.72 0.59 Allowed 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 169.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -106.03 163.0 13.11 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.911 1.684 . . . . 0.0 110.22 165.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -47.77 -60.55 2.49 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 127.339 2.255 . . . . 0.0 113.038 -176.64 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -74.02 -27.55 61.01 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.639 1.176 . . . . 0.0 112.25 -175.138 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -110.65 69.7 0.7 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.878 1.671 . . . . 0.0 109.653 -178.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 69.0 m -97.41 105.75 17.95 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 127.128 2.171 . . . . 0.0 106.699 172.244 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -121.94 152.73 39.37 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.531 1.133 . . . . 0.0 112.984 -156.332 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 91.8 m -70.44 116.61 10.98 Favored 'General case' 0 C--N 1.344 0.328 0 C-N-CA 125.552 1.541 . . . . 0.0 111.125 174.661 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.3 mt . . . . . 0 C--O 1.252 1.206 0 C-N-CA 125.791 1.636 . . . . 0.0 109.821 -174.179 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 80.5 p . . . . . 0 N--CA 1.475 0.778 0 N-CA-C 111.593 0.219 . . . . 0.0 111.593 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -47.86 138.03 9.18 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.399 1.88 . . . . 0.0 112.76 175.802 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 77.1 p -74.04 91.72 2.08 Favored 'General case' 0 C--N 1.344 0.368 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 174.01 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -86.4 132.76 33.87 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 126.74 2.016 . . . . 0.0 108.844 -164.31 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.5 t -68.87 176.86 2.85 Favored 'General case' 0 C--N 1.345 0.393 0 CA-C-O 122.917 1.341 . . . . 0.0 112.582 -166.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -64.65 126.63 28.52 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 112.674 -2.057 . . . . 0.0 108.076 169.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 25.8 m-90 65.44 98.19 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.071 1.348 . . . . 0.0 108.903 -166.065 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -177.35 114.57 0.47 Allowed Glycine 0 C--N 1.339 0.718 0 N-CA-C 107.38 -2.288 . . . . 0.0 107.38 -167.023 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -57.25 140.46 49.77 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.357 0.663 . . . . 0.0 109.706 -179.05 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.7 p -135.38 -42.35 0.71 Allowed 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.231 1.412 . . . . 0.0 110.473 -169.54 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -101.32 -137.15 9.61 Favored Glycine 0 CA--C 1.532 1.114 0 N-CA-C 109.062 -1.615 . . . . 0.0 109.062 169.327 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.84 127.41 0.64 Allowed Glycine 0 CA--C 1.532 1.148 0 C-N-CA 124.209 0.909 . . . . 0.0 112.04 175.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 83.1 mt -70.78 115.15 9.95 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 C-N-CA 124.549 1.14 . . . . 0.0 108.554 178.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 126.12 -55.79 0.73 Allowed Glycine 0 N--CA 1.482 1.717 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 -177.182 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -65.11 122.44 17.06 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.051 1.341 . . . . 0.0 109.886 178.261 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 64.4 m -130.86 72.44 1.5 Allowed 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.603 1.561 . . . . 0.0 108.257 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -151.91 -168.61 16.44 Favored Glycine 0 CA--C 1.531 1.042 0 C-N-CA 125.255 1.407 . . . . 0.0 111.189 179.311 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -42.34 118.46 1.18 Allowed 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 116.189 1.922 . . . . 0.0 116.189 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.464 ' H ' ' HD3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -93.4 -27.85 16.49 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 127.151 2.18 . . . . 0.0 112.148 169.275 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 52.2 m -65.61 89.94 0.11 Allowed 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.073 1.749 . . . . 0.0 110.789 -176.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 62.0 m -61.62 141.1 58.01 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 126.764 2.026 . . . . 0.0 110.02 171.638 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.7 t -69.62 171.77 8.45 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.184 0.594 . . . . 0.0 110.432 -174.556 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.9 t -58.21 124.42 19.35 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.758 0.823 . . . . 0.0 110.961 -179.135 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 109.56 -36.51 4.27 Favored Glycine 0 CA--C 1.536 1.385 0 C-N-CA 125.259 1.409 . . . . 0.0 111.974 -171.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 49.3 p -107.51 145.7 32.77 Favored 'General case' 0 C--N 1.344 0.36 0 C-N-CA 125.423 1.489 . . . . 0.0 111.577 -174.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 81.3 p -126.08 152.36 45.95 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 126.708 2.003 . . . . 0.0 109.112 174.018 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 43.4 t -69.27 110.37 4.59 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 179.493 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -106.19 178.84 4.44 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 126.281 1.832 . . . . 0.0 111.088 -177.51 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -144.12 131.38 20.76 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.38 1.472 . . . . 0.0 109.289 -170.457 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 43.8 t -110.87 -77.32 0.59 Allowed 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 106.814 -1.55 . . . . 0.0 106.814 169.194 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -106.2 -179.06 3.83 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.741 1.616 . . . . 0.0 111.219 165.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -54.8 -59.19 5.07 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.922 1.689 . . . . 0.0 112.059 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -74.79 -25.63 59.19 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.523 1.529 . . . . 0.0 112.547 -172.262 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -110.17 86.96 2.4 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.716 1.207 . . . . 0.0 109.137 -176.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 72.8 m -116.14 107.51 14.99 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 126.359 1.863 . . . . 0.0 107.79 175.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -123.57 150.73 43.71 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.433 1.493 . . . . 0.0 112.014 -163.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 68.8 m -70.54 118.33 13.21 Favored 'General case' 0 C--N 1.344 0.345 0 C-N-CA 125.641 1.577 . . . . 0.0 110.933 174.176 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.0 mt . . . . . 0 C--O 1.252 1.186 0 C-N-CA 125.773 1.629 . . . . 0.0 109.965 -175.042 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 33.9 t . . . . . 0 N--CA 1.475 0.781 0 N-CA-C 110.897 -0.038 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.85 153.69 20.24 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.953 1.301 . . . . 0.0 112.0 175.194 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.3 p -78.67 90.34 4.59 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 106.925 -1.509 . . . . 0.0 106.925 166.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -84.31 134.35 34.51 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 126.426 1.891 . . . . 0.0 109.023 -167.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.4 t -65.84 172.92 3.2 Favored 'General case' 0 C--N 1.346 0.435 0 CA-C-O 122.957 1.361 . . . . 0.0 112.971 -168.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 22.2 t-160 -61.31 128.34 35.89 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 112.605 -2.088 . . . . 0.0 108.215 166.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 26.0 m-90 64.62 96.78 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.124 1.37 . . . . 0.0 108.94 -167.027 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -168.79 112.92 0.5 Allowed Glycine 0 C--N 1.34 0.765 0 N-CA-C 108.068 -2.013 . . . . 0.0 108.068 -168.176 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -63.85 108.98 1.6 Allowed 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.476 0.711 . . . . 0.0 109.142 -175.506 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.0 p -89.09 -52.72 4.93 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.118 1.367 . . . . 0.0 108.853 176.391 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -108.29 133.72 11.82 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 125.206 1.384 . . . . 0.0 109.66 174.107 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 167.12 131.45 1.27 Allowed Glycine 0 CA--C 1.53 1.022 0 N-CA-C 108.893 -1.683 . . . . 0.0 108.893 -178.281 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 69.5 mt -78.85 76.41 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 C-N-CA 124.809 1.244 . . . . 0.0 108.592 -172.38 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 175.21 -59.79 0.11 Allowed Glycine 0 N--CA 1.484 1.894 0 N-CA-C 108.032 -2.027 . . . . 0.0 108.032 -171.343 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -75.67 130.86 39.41 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.327 1.851 . . . . 0.0 109.929 177.163 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 71.1 m -136.93 89.87 2.48 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.481 1.512 . . . . 0.0 108.487 175.421 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -170.36 -133.49 1.61 Allowed Glycine 0 CA--C 1.531 1.035 0 N-CA-C 111.271 -0.731 . . . . 0.0 111.271 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -62.87 106.48 0.82 Allowed 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 126.836 2.054 . . . . 0.0 115.725 -179.727 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -80.01 -29.9 39.49 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.506 1.522 . . . . 0.0 112.083 160.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 51.1 m -63.71 92.43 0.07 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.614 1.566 . . . . 0.0 111.303 -173.631 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 62.3 m -64.83 144.49 57.23 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 127.229 2.212 . . . . 0.0 110.169 174.103 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.5 t -72.16 180.0 3.08 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.711 0.804 . . . . 0.0 111.231 -173.154 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.7 m -55.68 122.38 11.25 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.865 1.266 . . . . 0.0 111.018 178.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.79 8.86 69.19 Favored Glycine 0 CA--C 1.539 1.538 0 C-N-CA 125.223 1.392 . . . . 0.0 114.322 -177.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 66.2 p -137.84 142.34 40.75 Favored 'General case' 0 C--N 1.345 0.387 0 C-N-CA 125.4 1.48 . . . . 0.0 110.111 177.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 60.2 p -125.99 153.61 44.09 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 126.16 1.784 . . . . 0.0 109.308 175.586 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 32.4 t -68.04 101.61 1.16 Allowed 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 177.197 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -98.36 177.42 5.37 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 126.237 1.815 . . . . 0.0 110.345 178.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -136.12 132.48 36.13 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 125.078 1.351 . . . . 0.0 109.88 -172.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.7 m -120.88 -72.98 0.66 Allowed 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.209 1.404 . . . . 0.0 107.492 168.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -103.06 169.5 8.52 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.783 1.633 . . . . 0.0 110.3 170.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -57.19 -54.0 51.72 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.517 1.527 . . . . 0.0 110.545 168.525 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -74.37 -30.07 61.82 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.684 1.194 . . . . 0.0 111.822 -177.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -113.43 84.72 2.06 Favored 'General case' 0 C--N 1.346 0.413 0 C-N-CA 124.932 1.293 . . . . 0.0 109.951 179.191 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.0 m -114.08 115.61 27.84 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.65 1.18 . . . . 0.0 108.344 169.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -128.44 153.25 47.31 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.941 1.296 . . . . 0.0 112.641 -157.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 86.5 m -69.8 120.5 15.64 Favored 'General case' 0 C--N 1.344 0.355 0 C-N-CA 125.773 1.629 . . . . 0.0 111.108 174.399 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.0 mt . . . . . 0 C--O 1.251 1.136 0 C-N-CA 125.719 1.608 . . . . 0.0 109.615 -175.51 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.4 m . . . . . 0 N--CA 1.477 0.907 0 CA-C-O 121.153 0.502 . . . . 0.0 112.316 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -100.1 148.51 24.49 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.17 1.788 . . . . 0.0 110.813 -176.44 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 26.3 p -101.67 110.73 22.77 Favored 'General case' 0 C--N 1.343 0.287 0 N-CA-C 104.507 -2.405 . . . . 0.0 104.507 157.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.1 143.76 43.22 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 -159.778 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.1 t -64.15 174.7 1.48 Allowed 'General case' 0 C--N 1.344 0.367 0 CA-C-O 122.77 1.272 . . . . 0.0 111.588 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -59.73 126.55 28.03 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 113.205 -1.816 . . . . 0.0 107.878 166.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 23.9 m-90 63.51 95.7 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.347 1.459 . . . . 0.0 109.036 -164.059 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -161.51 125.55 1.45 Allowed Glycine 0 C--N 1.343 0.942 0 N-CA-C 108.161 -1.976 . . . . 0.0 108.161 -174.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -69.87 97.34 1.1 Allowed 'General case' 0 C--N 1.342 0.259 0 C-N-CA 124.133 0.973 . . . . 0.0 110.64 -174.025 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.6 p -89.61 -22.32 22.38 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.515 1.526 . . . . 0.0 111.137 175.523 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -74.73 -158.61 6.41 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 125.975 1.75 . . . . 0.0 110.867 172.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.45 106.83 0.44 Allowed Glycine 0 CA--C 1.527 0.794 0 N-CA-C 110.732 -0.947 . . . . 0.0 110.732 170.219 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 84.7 mt -69.48 95.24 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.442 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 173.279 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 144.67 -65.4 0.45 Allowed Glycine 0 N--CA 1.48 1.57 0 N-CA-C 108.333 -1.907 . . . . 0.0 108.333 -171.514 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -87.53 76.66 8.93 Favored 'General case' 0 C--N 1.345 0.382 0 C-N-CA 123.793 0.837 . . . . 0.0 108.778 172.032 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 65.0 m -123.65 47.49 2.02 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.572 1.149 . . . . 0.0 109.233 168.412 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -86.89 -83.96 1.14 Allowed Glycine 0 C--N 1.344 1.014 0 N-CA-C 108.06 -2.016 . . . . 0.0 108.06 173.519 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.9 p -89.8 117.07 28.37 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 124.64 1.176 . . . . 0.0 110.522 171.368 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.8 -23.0 5.16 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 127.948 2.499 . . . . 0.0 111.357 179.558 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 54.1 m -70.49 92.43 0.83 Allowed 'General case' 0 C--N 1.346 0.449 0 C-N-CA 125.966 1.706 . . . . 0.0 110.057 -175.402 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 65.8 m -57.05 142.71 41.16 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.666 1.986 . . . . 0.0 110.758 175.315 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.1 t -71.87 173.51 8.19 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 122.965 0.506 . . . . 0.0 111.168 -172.672 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.1 t -57.16 126.2 26.14 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.951 0.9 . . . . 0.0 111.133 -178.424 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 104.66 -36.86 4.11 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 125.13 1.347 . . . . 0.0 111.992 -171.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 58.6 p -106.53 140.05 40.03 Favored 'General case' 0 C--N 1.343 0.324 0 C-N-CA 125.446 1.498 . . . . 0.0 111.394 -174.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 29.4 p -127.28 157.52 39.64 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.047 1.739 . . . . 0.0 109.914 169.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 42.1 t -73.61 93.32 2.03 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.388 1.475 . . . . 0.0 110.423 -172.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -88.36 135.06 33.64 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 126.871 2.068 . . . . 0.0 110.381 -179.175 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -99.56 133.88 43.24 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.674 1.59 . . . . 0.0 111.026 -171.295 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.5 t -117.45 -73.17 0.65 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.54 1.536 . . . . 0.0 107.59 167.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -102.52 169.76 8.46 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.921 1.689 . . . . 0.0 110.451 172.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -55.09 -56.01 24.62 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.312 1.445 . . . . 0.0 110.541 168.216 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -78.44 -25.87 46.08 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.399 1.08 . . . . 0.0 112.723 -175.128 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -112.89 93.62 4.51 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.112 1.365 . . . . 0.0 109.839 177.305 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.0 t -115.72 129.9 56.64 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 106.143 -1.799 . . . . 0.0 106.143 164.582 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -128.13 146.52 50.68 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.401 1.081 . . . . 0.0 111.954 -169.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 98.1 m -72.77 115.66 12.33 Favored 'General case' 0 C--N 1.341 0.232 0 C-N-CA 125.652 1.581 . . . . 0.0 110.374 175.099 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 77.8 mt . . . . . 0 C--O 1.251 1.149 0 CA-C-O 116.945 -1.503 . . . . 0.0 110.104 -174.754 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 40.5 t . . . . . 0 N--CA 1.475 0.786 0 N-CA-C 111.292 0.108 . . . . 0.0 111.292 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.14 149.16 33.57 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.357 1.063 . . . . 0.0 111.274 168.661 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 56.5 p -79.59 87.31 5.17 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 106.749 -1.575 . . . . 0.0 106.749 167.252 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -74.99 129.76 38.19 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 126.325 1.85 . . . . 0.0 109.933 -163.493 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.6 t -63.33 169.14 3.84 Favored 'General case' 0 C--N 1.344 0.36 0 CA-C-O 122.805 1.288 . . . . 0.0 112.028 -173.068 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.411 ' HA ' HG21 ' A' ' 25' ' ' THR . 1.1 t60 -62.09 125.26 23.24 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 112.866 -1.97 . . . . 0.0 107.597 167.696 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 25.6 m-90 65.94 98.07 0.05 OUTLIER 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.276 1.431 . . . . 0.0 108.672 -166.034 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -178.66 122.55 0.81 Allowed Glycine 0 C--N 1.339 0.732 0 N-CA-C 107.522 -2.231 . . . . 0.0 107.522 -166.038 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -65.96 144.57 56.68 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.992 0.396 . . . . 0.0 110.0 -170.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.7 p -146.42 14.79 1.27 Allowed 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.967 1.707 . . . . 0.0 111.985 -171.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 178.6 134.17 2.05 Favored Glycine 0 CA--C 1.531 1.062 0 N-CA-C 109.549 -1.421 . . . . 0.0 109.549 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 163.62 147.51 5.09 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 125.094 1.331 . . . . 0.0 111.563 -179.082 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 53.9 mt -84.43 64.66 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 C-N-CA 124.965 1.306 . . . . 0.0 107.936 177.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 177.34 -64.06 0.09 OUTLIER Glycine 0 N--CA 1.484 1.891 0 N-CA-C 108.121 -1.992 . . . . 0.0 108.121 -171.509 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -70.36 122.5 19.71 Favored 'General case' 0 C--N 1.345 0.399 0 C-N-CA 125.416 1.486 . . . . 0.0 109.115 174.189 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.0 m -130.79 73.87 1.56 Allowed 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 125.491 1.517 . . . . 0.0 107.955 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -153.44 -162.21 10.88 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 124.837 1.208 . . . . 0.0 111.748 -176.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -45.55 117.82 1.57 Allowed 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 126.536 1.934 . . . . 0.0 114.922 -178.411 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.92 -20.79 16.61 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 126.094 1.758 . . . . 0.0 112.571 167.361 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 41.2 m -67.39 86.35 0.18 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.028 1.731 . . . . 0.0 110.53 178.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 61.5 m -57.0 145.91 28.85 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.885 2.074 . . . . 0.0 110.559 171.11 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.7 t -73.12 169.16 17.59 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.299 0.64 . . . . 0.0 110.22 -175.21 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 80.5 p -59.47 120.1 8.75 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.844 0.858 . . . . 0.0 110.597 177.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 117.82 -38.67 2.86 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 125.285 1.421 . . . . 0.0 111.484 -169.449 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.411 HG21 ' HA ' ' A' ' 6' ' ' HIS . 31.8 p -112.68 147.77 36.07 Favored 'General case' 0 C--N 1.345 0.389 0 C-N-CA 125.455 1.502 . . . . 0.0 112.182 -175.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 73.6 p -128.01 157.62 40.14 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 127.375 2.27 . . . . 0.0 109.522 170.649 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 41.1 t -77.34 106.02 8.82 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.806 0.843 . . . . 0.0 110.589 -174.684 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -96.07 135.1 38.31 Favored 'General case' 0 C--N 1.343 0.29 0 C-N-CA 127.317 2.247 . . . . 0.0 110.47 178.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -92.9 134.18 35.35 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.836 1.654 . . . . 0.0 109.392 175.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 68.8 m -111.39 -80.02 0.58 Allowed 'General case' 0 C--N 1.344 0.342 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 171.084 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -107.56 177.46 4.83 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.673 1.589 . . . . 0.0 111.916 169.554 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -51.42 -55.51 18.3 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.397 1.879 . . . . 0.0 112.031 179.182 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -77.65 -27.54 51.04 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.085 1.354 . . . . 0.0 112.669 -173.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -115.27 100.23 7.98 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.706 1.202 . . . . 0.0 111.189 -176.023 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.1 t -112.38 129.84 56.17 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 159.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -129.77 148.46 51.65 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.543 1.537 . . . . 0.0 111.729 -171.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 94.8 m -72.5 116.5 13.04 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.964 1.706 . . . . 0.0 110.986 175.146 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 94.9 mt . . . . . 0 C--O 1.252 1.192 0 C-N-CA 125.783 1.633 . . . . 0.0 110.449 -174.256 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 48.8 m . . . . . 0 N--CA 1.476 0.863 0 CA-C-O 121.476 0.655 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -58.59 164.2 2.8 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.39 1.876 . . . . 0.0 113.187 178.371 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 38.2 p -102.54 118.92 37.91 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 105.904 -1.887 . . . . 0.0 105.904 166.595 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.96 144.44 31.86 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 -168.831 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.8 t -64.79 174.81 1.69 Allowed 'General case' 0 C--N 1.344 0.336 0 CA-C-O 122.759 1.266 . . . . 0.0 111.296 175.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 22.1 t-160 -58.25 128.03 35.09 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 113.299 -1.773 . . . . 0.0 107.817 164.195 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 27.0 m-90 65.7 96.35 0.05 Allowed 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.177 1.391 . . . . 0.0 109.1 -165.054 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -166.8 120.74 0.93 Allowed Glycine 0 CA--C 1.532 1.132 0 N-CA-C 108.917 -1.673 . . . . 0.0 108.917 -172.684 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -74.63 111.45 9.83 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 125.355 1.462 . . . . 0.0 111.342 -172.613 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.4 p -90.89 -48.46 7.0 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.001 0.52 . . . . 0.0 110.505 172.542 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -105.5 85.87 0.47 Allowed Glycine 0 C--N 1.344 0.998 0 N-CA-C 109.529 -1.428 . . . . 0.0 109.529 -174.103 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -142.58 116.43 1.04 Allowed Glycine 0 CA--C 1.529 0.912 0 C-N-CA 126.251 1.882 . . . . 0.0 109.029 170.397 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 93.1 mt -44.78 -30.33 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.558 1.254 0 N-CA-C 116.07 1.878 . . . . 0.0 116.07 -175.579 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -89.04 -43.64 5.3 Favored Glycine 0 N--CA 1.488 2.126 0 CA-C-N 121.567 1.985 . . . . 0.0 110.405 175.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -56.58 117.58 4.01 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.496 1.518 . . . . 0.0 110.226 176.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.9 m -136.39 79.41 1.76 Allowed 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 125.451 1.5 . . . . 0.0 108.32 178.325 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -149.54 -119.94 1.01 Allowed Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.154 -1.178 . . . . 0.0 110.154 -179.322 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.2 p -89.64 122.25 32.59 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 125.843 1.657 . . . . 0.0 113.627 -177.324 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -91.36 -48.05 7.12 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 126.663 1.985 . . . . 0.0 111.396 175.007 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 49.6 m -62.63 99.75 0.16 Allowed 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.979 1.712 . . . . 0.0 112.092 -166.164 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 65.4 m -57.66 153.24 13.72 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 126.355 1.862 . . . . 0.0 111.625 173.421 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.8 t -75.16 175.93 7.8 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 121.283 0.563 . . . . 0.0 111.054 -177.208 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 56.2 m -59.46 131.97 52.58 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.095 0.958 . . . . 0.0 111.115 -179.026 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.6 -37.81 3.32 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 124.908 1.242 . . . . 0.0 112.111 -172.438 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 37.9 p -101.33 141.18 34.58 Favored 'General case' 0 C--N 1.344 0.358 0 C-N-CA 125.092 1.357 . . . . 0.0 111.143 -175.32 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 71.7 p -125.64 149.01 48.79 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 126.535 1.934 . . . . 0.0 108.024 170.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 36.4 t -70.25 101.14 1.83 Allowed 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 -179.185 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -80.42 177.68 8.82 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.866 1.666 . . . . 0.0 110.024 175.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -137.86 132.28 32.29 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.338 1.055 . . . . 0.0 110.305 -170.325 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 68.9 m -122.09 -70.56 0.77 Allowed 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.537 1.535 . . . . 0.0 107.331 167.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -102.85 168.98 8.87 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.035 1.734 . . . . 0.0 110.23 171.483 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -60.23 -48.18 82.84 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.578 1.151 . . . . 0.0 110.435 168.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -76.62 -28.06 55.96 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.834 1.254 . . . . 0.0 111.884 -176.068 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -114.5 86.76 2.49 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.869 1.267 . . . . 0.0 109.727 178.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.8 m -115.67 113.09 23.06 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.476 1.11 . . . . 0.0 108.253 170.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -127.56 145.17 50.95 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.235 1.414 . . . . 0.0 112.724 -158.55 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 80.2 m -62.36 119.2 8.63 Favored 'General case' 0 C--N 1.346 0.437 0 C-N-CA 125.997 1.719 . . . . 0.0 112.019 176.009 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.1 mt . . . . . 0 C--O 1.251 1.171 0 C-N-CA 126.021 1.728 . . . . 0.0 109.718 -178.02 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 71.8 m . . . . . 0 N--CA 1.476 0.831 0 N-CA-C 111.333 0.123 . . . . 0.0 111.333 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -59.37 157.95 10.2 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.333 1.453 . . . . 0.0 112.449 172.488 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.7 p -81.55 100.84 9.6 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 106.199 -1.778 . . . . 0.0 106.199 161.162 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -74.81 128.78 36.39 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.833 1.253 . . . . 0.0 109.221 -165.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.9 t -63.79 174.66 1.35 Allowed 'General case' 0 C--N 1.345 0.399 0 CA-C-O 122.968 1.366 . . . . 0.0 112.232 -179.225 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -64.26 128.05 34.13 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 112.88 -1.964 . . . . 0.0 108.25 170.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 28.5 m-90 66.12 98.29 0.05 OUTLIER 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.367 1.467 . . . . 0.0 108.982 -167.33 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -171.42 115.79 0.6 Allowed Glycine 0 C--N 1.34 0.803 0 N-CA-C 108.111 -1.995 . . . . 0.0 108.111 -172.345 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -62.32 104.47 0.5 Allowed 'General case' 0 C--N 1.342 0.245 0 C-N-CA 124.13 0.972 . . . . 0.0 109.486 -177.671 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.4 p -91.39 -42.85 10.09 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 125.786 1.634 . . . . 0.0 110.594 -171.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -120.4 143.58 16.64 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 125.995 1.76 . . . . 0.0 110.506 178.447 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 165.06 141.55 3.16 Favored Glycine 0 CA--C 1.529 0.919 0 C-N-CA 124.607 1.099 . . . . 0.0 112.062 179.447 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 55.1 mt -84.85 65.92 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 C-N-CA 125.199 1.399 . . . . 0.0 107.794 176.315 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -178.99 -64.36 0.07 OUTLIER Glycine 0 N--CA 1.485 1.916 0 N-CA-C 108.123 -1.991 . . . . 0.0 108.123 -173.053 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -67.42 133.4 49.5 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.388 1.475 . . . . 0.0 109.35 172.641 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.5 m -134.47 80.4 1.85 Allowed 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 125.27 1.428 . . . . 0.0 108.284 -177.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -165.1 -157.52 9.8 Favored Glycine 0 CA--C 1.532 1.136 0 C-N-CA 124.377 0.989 . . . . 0.0 111.734 -179.056 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -51.39 125.3 13.96 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 127.036 2.134 . . . . 0.0 114.523 -176.315 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.3 mtmm -95.57 -44.08 7.65 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.556 1.543 . . . . 0.0 110.145 174.289 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 62.2 m -59.96 95.81 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.938 2.095 . . . . 0.0 111.657 -168.556 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 63.7 m -61.41 145.46 51.58 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 126.429 1.892 . . . . 0.0 110.685 174.12 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.8 t -73.65 175.92 6.7 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.596 0.759 . . . . 0.0 111.015 -173.22 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.3 t -58.4 118.19 5.29 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.508 1.123 . . . . 0.0 110.426 177.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 107.74 -14.74 38.13 Favored Glycine 0 CA--C 1.538 1.489 0 C-N-CA 125.433 1.492 . . . . 0.0 113.793 -175.267 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 40.8 p -127.86 141.44 51.56 Favored 'General case' 0 C--N 1.344 0.33 0 C-N-CA 125.779 1.632 . . . . 0.0 110.739 -178.081 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.8 p -127.44 157.79 39.09 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 126.157 1.783 . . . . 0.0 109.97 169.385 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 42.9 t -74.28 94.46 2.5 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.349 1.46 . . . . 0.0 110.31 -171.527 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -91.21 134.94 34.14 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 126.407 1.883 . . . . 0.0 110.516 -177.524 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -82.91 133.89 35.1 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.748 1.619 . . . . 0.0 110.035 178.539 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.6 m -118.73 -73.47 0.64 Allowed 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.861 1.264 . . . . 0.0 107.824 168.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -102.95 166.59 10.36 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.802 1.641 . . . . 0.0 110.552 171.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -50.57 -53.68 28.55 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.416 1.887 . . . . 0.0 111.03 169.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -79.35 -29.99 42.45 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.925 1.29 . . . . 0.0 112.591 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -112.41 92.86 4.18 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 119.521 1.055 . . . . 0.0 111.041 -174.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.72 130.38 48.1 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 162.18 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -131.01 148.81 52.8 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.805 1.242 . . . . 0.0 111.923 -173.445 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 91.2 m -70.71 118.78 13.94 Favored 'General case' 0 C--N 1.343 0.29 0 C-N-CA 125.821 1.648 . . . . 0.0 110.832 174.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 79.2 mt . . . . . 0 C--O 1.251 1.135 0 CA-C-O 116.912 -1.518 . . . . 0.0 110.104 -175.475 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 34.8 t . . . . . 0 N--CA 1.474 0.733 0 CA-C-O 120.003 -0.046 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -53.74 150.09 7.73 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.365 1.466 . . . . 0.0 112.033 172.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 63.6 p -77.42 83.86 3.84 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 168.085 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -74.99 130.52 39.5 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 126.791 2.036 . . . . 0.0 109.541 -166.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.5 t -65.28 173.85 2.36 Favored 'General case' 0 C--N 1.344 0.36 0 CA-C-O 123.073 1.416 . . . . 0.0 112.016 -173.61 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -62.2 127.02 29.37 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 112.656 -2.066 . . . . 0.0 108.082 170.217 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 26.0 m-90 66.59 98.93 0.05 OUTLIER 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.337 1.455 . . . . 0.0 108.562 -165.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -170.4 116.38 0.64 Allowed Glycine 0 C--N 1.34 0.796 0 N-CA-C 108.015 -2.034 . . . . 0.0 108.015 -166.462 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -67.77 108.76 3.08 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.51 0.724 . . . . 0.0 109.511 -171.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.1 p -89.77 -30.38 18.03 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.792 1.237 . . . . 0.0 110.83 171.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -77.48 -144.16 1.98 Allowed Glycine 0 CA--C 1.533 1.189 0 C-N-CA 125.324 1.44 . . . . 0.0 111.892 176.179 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.36 106.99 0.34 Allowed Glycine 0 C--N 1.342 0.863 0 C-N-CA 124.444 1.021 . . . . 0.0 110.882 176.269 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 57.6 mt -80.28 68.11 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 170.685 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 172.53 -59.71 0.15 Allowed Glycine 0 N--CA 1.485 1.946 0 N-CA-C 107.405 -2.278 . . . . 0.0 107.405 -164.085 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -62.54 126.83 28.67 Favored 'General case' 0 C--N 1.345 0.379 0 C-N-CA 125.338 1.455 . . . . 0.0 108.811 167.586 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.4 m -135.08 83.03 1.99 Allowed 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.757 1.223 . . . . 0.0 108.568 -177.312 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -169.75 -139.66 2.78 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 111.126 -0.789 . . . . 0.0 111.126 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.0 117.9 5.63 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 116.272 1.953 . . . . 0.0 116.272 -173.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.485 ' H ' ' HD3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -94.67 -28.77 15.17 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 127.091 2.156 . . . . 0.0 111.718 162.535 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.0 m -67.94 90.07 0.3 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.879 1.672 . . . . 0.0 110.923 -175.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 63.2 m -60.0 150.84 27.9 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 127.481 2.312 . . . . 0.0 110.824 172.51 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.0 t -75.63 173.84 10.52 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.244 0.618 . . . . 0.0 110.718 -174.017 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 78.2 p -59.17 114.44 2.62 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.63 1.172 . . . . 0.0 110.489 177.082 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 112.36 -13.92 25.6 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 125.498 1.523 . . . . 0.0 113.649 -174.574 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 40.3 p -129.25 145.69 51.3 Favored 'General case' 0 C--N 1.344 0.351 0 C-N-CA 125.652 1.581 . . . . 0.0 111.405 -178.297 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 56.5 p -128.87 152.62 48.32 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 127.473 2.309 . . . . 0.0 109.511 174.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 18.5 t -69.39 97.24 0.96 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.874 1.27 . . . . 0.0 109.86 -179.318 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.58 129.22 34.94 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 126.431 1.892 . . . . 0.0 109.442 177.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -93.88 133.97 36.74 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.334 1.454 . . . . 0.0 109.822 -178.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.9 m -124.08 -73.4 0.64 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.842 1.257 . . . . 0.0 107.878 168.702 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -103.09 166.6 10.34 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.59 1.556 . . . . 0.0 110.396 169.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -55.52 -52.04 65.02 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.827 1.651 . . . . 0.0 110.729 170.096 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -76.55 -31.47 57.61 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.511 1.124 . . . . 0.0 112.253 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -112.87 86.8 2.44 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.461 1.104 . . . . 0.0 109.873 -178.64 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.0 m -116.9 132.43 56.7 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.912 1.285 . . . . 0.0 107.866 162.256 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -138.0 148.75 45.46 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.815 1.246 . . . . 0.0 111.449 -165.575 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 86.8 m -71.99 118.33 14.71 Favored 'General case' 0 C--N 1.342 0.269 0 C-N-CA 125.624 1.57 . . . . 0.0 111.05 176.732 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.1 mt . . . . . 0 C--O 1.252 1.203 0 C-N-CA 125.488 1.515 . . . . 0.0 110.251 -176.37 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.541 0.623 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 34.1 p -80.44 105.03 11.39 Favored 'General case' 0 C--N 1.342 0.256 0 N-CA-C 105.923 -1.88 . . . . 0.0 105.923 159.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -74.24 137.49 43.05 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.789 1.236 . . . . 0.0 109.747 -164.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.8 t -68.43 171.14 7.77 Favored 'General case' 0 C--N 1.344 0.356 0 CA-C-O 122.694 1.235 . . . . 0.0 112.181 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -62.63 130.02 43.18 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 113.005 -1.907 . . . . 0.0 108.081 166.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 28.5 m-90 64.17 96.09 0.05 OUTLIER 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.432 1.493 . . . . 0.0 109.062 -166.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -167.62 119.22 0.83 Allowed Glycine 0 C--N 1.345 1.03 0 N-CA-C 110.447 -1.061 . . . . 0.0 110.447 -171.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -69.95 111.99 6.04 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.819 1.247 . . . . 0.0 110.909 -177.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.1 p -90.35 -47.42 7.76 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 164.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -38.97 -56.36 2.18 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 127.901 2.667 . . . . 0.0 116.431 -175.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -55.33 121.13 21.27 Favored Glycine 0 C--N 1.344 1.026 0 C-N-CA 125.186 1.374 . . . . 0.0 112.493 -168.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 65.0 mt -77.74 75.47 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 125.319 1.448 . . . . 0.0 107.448 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 171.1 -40.07 0.18 Allowed Glycine 0 N--CA 1.485 1.941 0 N-CA-C 110.274 -1.131 . . . . 0.0 110.274 -161.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -51.81 153.7 2.37 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 127.097 2.159 . . . . 0.0 113.297 -176.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.4 m -78.83 69.01 4.93 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.121 1.369 . . . . 0.0 111.838 -178.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 82.38 -66.61 3.86 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 124.802 1.192 . . . . 0.0 114.592 162.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.2 p -71.14 120.54 16.86 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.71 1.204 . . . . 0.0 113.835 -161.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.01 -27.56 11.08 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 127.041 2.136 . . . . 0.0 112.438 172.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 87.7 m -72.1 86.62 1.05 Allowed 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.537 1.535 . . . . 0.0 110.474 -171.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 69.4 m -50.81 142.09 12.08 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.638 1.975 . . . . 0.0 111.012 169.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.5 t -69.24 172.67 6.61 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.955 0.902 . . . . 0.0 110.682 -173.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 84.0 p -55.81 127.53 30.59 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.899 0.88 . . . . 0.0 111.544 -179.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.86 -36.8 4.06 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 125.109 1.338 . . . . 0.0 112.284 -171.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 70.4 p -106.27 139.29 41.01 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.403 1.481 . . . . 0.0 111.074 -174.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.8 p -127.51 153.49 46.28 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.71 2.004 . . . . 0.0 109.244 167.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 36.9 t -75.48 94.61 3.15 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.362 0.665 . . . . 0.0 110.302 -172.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -81.87 128.52 34.12 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 127.322 2.249 . . . . 0.0 110.818 -177.28 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -83.34 136.64 34.28 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 126.071 1.749 . . . . 0.0 110.839 -172.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.5 m -124.83 -69.12 0.81 Allowed 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.045 1.338 . . . . 0.0 107.69 165.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -103.22 169.01 8.81 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.928 1.691 . . . . 0.0 110.015 166.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -56.09 -52.73 63.24 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.611 1.565 . . . . 0.0 110.991 169.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -81.65 -24.5 36.29 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.998 1.319 . . . . 0.0 112.674 -177.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -112.73 85.66 2.21 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.695 1.198 . . . . 0.0 109.666 175.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.9 m -116.73 120.01 37.23 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.445 1.498 . . . . 0.0 107.346 166.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -121.92 141.77 50.96 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.542 1.537 . . . . 0.0 112.052 -164.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 73.1 m -62.01 118.36 7.19 Favored 'General case' 0 C--N 1.343 0.289 0 C-N-CA 125.358 1.463 . . . . 0.0 111.109 173.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.4 mt . . . . . 0 C--O 1.251 1.163 0 CA-C-O 116.957 -1.497 . . . . 0.0 109.972 -179.53 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.1 p . . . . . 0 CA--C 1.543 0.69 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 47.6 p -76.84 93.92 3.81 Favored 'General case' 0 C--N 1.344 0.331 0 N-CA-C 106.695 -1.594 . . . . 0.0 106.695 170.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -76.77 130.13 37.26 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 126.611 1.964 . . . . 0.0 109.346 -161.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.9 t -64.91 169.69 4.99 Favored 'General case' 0 C--N 1.343 0.308 0 CA-C-O 122.904 1.335 . . . . 0.0 111.668 -174.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -64.29 125.05 23.35 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 112.764 -2.016 . . . . 0.0 107.913 170.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 27.2 m-90 65.8 98.01 0.05 OUTLIER 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.683 1.193 . . . . 0.0 108.528 -165.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -177.4 118.32 0.63 Allowed Glycine 0 C--N 1.339 0.711 0 N-CA-C 106.933 -2.467 . . . . 0.0 106.933 -165.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -64.12 143.19 58.06 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 109.881 -0.415 . . . . 0.0 109.881 -170.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.5 p -143.45 18.03 1.87 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.135 1.774 . . . . 0.0 112.121 -173.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 174.28 140.22 3.2 Favored Glycine 0 CA--C 1.531 1.065 0 C-N-CA 125.015 1.293 . . . . 0.0 110.072 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 161.26 149.05 5.49 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 125.372 1.463 . . . . 0.0 111.125 -178.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 56.3 mt -82.62 66.51 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 C-N-CA 124.929 1.291 . . . . 0.0 107.742 177.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 172.38 -56.57 0.16 Allowed Glycine 0 N--CA 1.485 1.932 0 N-CA-C 109.501 -1.44 . . . . 0.0 109.501 -167.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -63.5 134.07 54.96 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.87 1.668 . . . . 0.0 111.503 -175.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.6 m -135.92 78.7 1.73 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.71 1.604 . . . . 0.0 108.214 177.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -163.45 -166.98 23.19 Favored Glycine 0 CA--C 1.532 1.148 0 C-N-CA 124.365 0.983 . . . . 0.0 111.756 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -56.91 122.75 12.99 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 114.919 1.452 . . . . 0.0 114.919 -177.456 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -79.97 -43.43 22.07 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.312 1.445 . . . . 0.0 111.731 163.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.6 m -59.08 92.53 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.803 2.041 . . . . 0.0 112.123 -172.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 58.9 m -59.78 151.82 24.45 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 127.634 2.374 . . . . 0.0 110.964 172.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.7 t -77.32 177.3 8.04 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 123.354 0.662 . . . . 0.0 110.604 -176.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 55.6 m -57.82 125.46 23.14 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.526 1.13 . . . . 0.0 110.793 178.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 99.59 -22.09 42.14 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 125.124 1.345 . . . . 0.0 113.755 -176.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 49.0 p -113.65 141.6 47.02 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 125.633 1.573 . . . . 0.0 110.741 -177.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 60.7 p -126.36 151.09 48.08 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.131 1.773 . . . . 0.0 109.057 173.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 41.8 t -69.45 106.8 3.09 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.262 0.625 . . . . 0.0 109.348 -178.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -104.9 175.73 5.39 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 126.844 2.057 . . . . 0.0 110.89 -178.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -132.26 136.22 46.8 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.279 1.432 . . . . 0.0 110.404 -168.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 71.9 m -116.67 -79.22 0.59 Allowed 'General case' 0 C--N 1.344 0.343 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 168.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -107.19 177.22 4.91 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.86 1.664 . . . . 0.0 111.455 167.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -64.57 -44.05 91.93 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.795 1.238 . . . . 0.0 112.832 -175.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -73.69 -29.44 62.29 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.403 1.081 . . . . 0.0 111.899 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -114.21 88.22 2.81 Favored 'General case' 0 C--N 1.344 0.364 0 C-N-CA 124.918 1.287 . . . . 0.0 110.306 -174.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.3 t -99.95 126.64 46.14 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 164.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -135.04 146.1 48.64 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.48 1.112 . . . . 0.0 112.305 -168.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 92.2 m -69.23 120.44 15.06 Favored 'General case' 0 C--N 1.343 0.321 0 C-N-CA 126.058 1.743 . . . . 0.0 111.487 175.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.6 mt . . . . . 0 C--O 1.251 1.165 0 C-N-CA 126.052 1.741 . . . . 0.0 109.719 -174.325 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.547 0.833 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 37.2 p -103.55 115.47 30.56 Favored 'General case' 0 C--N 1.342 0.264 0 N-CA-C 105.81 -1.922 . . . . 0.0 105.81 162.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.46 141.86 28.3 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 -169.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.2 t -65.95 -179.58 0.75 Allowed 'General case' 0 C--N 1.344 0.335 0 CA-C-O 122.829 1.299 . . . . 0.0 111.194 178.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.424 ' HA ' HG21 ' A' ' 25' ' ' THR . 18.4 t-160 -61.79 126.86 28.84 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 113.467 -1.697 . . . . 0.0 107.68 167.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 26.6 m-90 67.09 98.57 0.05 Allowed 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.603 1.561 . . . . 0.0 108.954 -164.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -174.89 123.67 0.96 Allowed Glycine 0 CA--C 1.528 0.855 0 N-CA-C 107.613 -2.195 . . . . 0.0 107.613 -175.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -61.36 152.14 30.3 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.729 0.811 . . . . 0.0 112.321 -171.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.4 p -138.76 -31.45 0.72 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.424 1.49 . . . . 0.0 111.815 177.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -76.1 -171.08 31.29 Favored Glycine 0 CA--C 1.536 1.367 0 N-CA-C 111.618 -0.593 . . . . 0.0 111.618 171.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 98.46 117.02 3.73 Favored Glycine 0 C--N 1.341 0.85 0 C-N-CA 124.392 0.996 . . . . 0.0 110.702 176.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 69.3 mt -77.31 83.03 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 C-N-CA 125.25 1.42 . . . . 0.0 107.538 178.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 115.27 36.62 1.19 Allowed Glycine 0 N--CA 1.483 1.809 0 C-N-CA 124.181 0.896 . . . . 0.0 111.343 -175.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -88.53 156.53 19.03 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.455 1.502 . . . . 0.0 110.456 174.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.9 m -73.32 87.8 1.52 Allowed 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.45 1.1 . . . . 0.0 108.034 174.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -83.48 60.92 4.83 Favored Glycine 0 CA--C 1.528 0.854 0 N-CA-C 116.231 1.252 . . . . 0.0 116.231 -146.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.3 p -79.5 78.27 6.04 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 123.568 0.747 . . . . 0.0 111.804 148.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.38 -21.15 64.72 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.077 1.351 . . . . 0.0 112.952 169.082 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 61.3 m -70.59 95.36 1.08 Allowed 'General case' 0 C--N 1.346 0.414 0 C-N-CA 125.663 1.585 . . . . 0.0 110.317 -173.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 57.4 m -61.51 149.49 38.68 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.006 1.722 . . . . 0.0 110.886 172.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.9 t -75.01 172.1 12.92 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 121.097 0.475 . . . . 0.0 110.397 -176.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.7 m -66.44 99.55 0.57 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.322 1.049 . . . . 0.0 109.477 175.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 138.24 -16.47 3.41 Favored Glycine 0 CA--C 1.537 1.444 0 C-N-CA 125.696 1.617 . . . . 0.0 112.92 -171.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.424 HG21 ' HA ' ' A' ' 6' ' ' HIS . 17.8 p -137.89 149.88 46.62 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.867 1.667 . . . . 0.0 111.431 -177.153 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 44.3 p -127.96 157.73 39.78 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.342 1.857 . . . . 0.0 110.27 167.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.3 t -74.47 97.83 3.19 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.456 1.502 . . . . 0.0 109.867 -173.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -92.66 135.34 34.18 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 126.852 2.061 . . . . 0.0 110.126 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -82.81 135.62 34.91 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.649 1.58 . . . . 0.0 110.547 -177.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 67.6 m -121.53 -74.49 0.61 Allowed 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.817 1.247 . . . . 0.0 107.88 168.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -103.06 167.98 9.48 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 126.199 1.8 . . . . 0.0 110.529 170.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -55.8 -53.56 55.25 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.846 1.658 . . . . 0.0 111.014 169.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -85.25 -27.19 26.21 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.844 1.257 . . . . 0.0 112.712 -175.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -115.03 103.44 10.9 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.065 0.946 . . . . 0.0 110.398 174.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.0 m -117.22 150.54 38.58 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.601 1.161 . . . . 0.0 108.81 162.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -140.09 147.7 40.65 Favored 'General case' 0 C--N 1.345 0.381 0 C-N-CA 123.607 0.763 . . . . 0.0 112.906 -167.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 89.6 m -73.53 110.89 8.16 Favored 'General case' 0 C--N 1.341 0.201 0 C-N-CA 126.392 1.877 . . . . 0.0 110.097 173.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.8 mt . . . . . 0 C--O 1.252 1.197 0 CA-C-O 116.537 -1.697 . . . . 0.0 110.803 -172.524 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.544 0.737 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 53.3 p -75.91 92.82 3.14 Favored 'General case' 0 C--N 1.344 0.362 0 N-CA-C 106.791 -1.559 . . . . 0.0 106.791 171.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -79.8 129.25 34.33 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 126.103 1.761 . . . . 0.0 109.364 -160.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.9 t -65.32 170.98 4.19 Favored 'General case' 0 C--N 1.343 0.316 0 CA-C-O 122.9 1.333 . . . . 0.0 111.76 -172.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 19.5 t-160 -63.44 124.69 21.97 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 112.823 -1.989 . . . . 0.0 107.725 170.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 26.9 m-90 67.72 99.29 0.05 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.987 1.315 . . . . 0.0 108.595 -165.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -179.06 117.03 0.55 Allowed Glycine 0 C--N 1.338 0.674 0 N-CA-C 107.109 -2.396 . . . . 0.0 107.109 -166.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -63.41 143.26 57.96 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 117.059 0.429 . . . . 0.0 109.881 -171.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 27.2 p -134.78 -40.44 0.77 Allowed 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 125.326 1.451 . . . . 0.0 110.602 -173.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -117.55 138.54 14.17 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 125.542 1.544 . . . . 0.0 109.95 175.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 161.7 136.8 2.06 Favored Glycine 0 CA--C 1.529 0.933 0 C-N-CA 124.452 1.025 . . . . 0.0 111.207 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 56.5 mt -83.23 67.83 0.53 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 C-N-CA 125.136 1.374 . . . . 0.0 108.031 179.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 177.38 -60.47 0.1 OUTLIER Glycine 0 N--CA 1.485 1.941 0 N-CA-C 108.481 -1.847 . . . . 0.0 108.481 -171.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -65.46 132.05 47.96 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.911 1.685 . . . . 0.0 110.209 175.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.7 m -135.05 76.47 1.63 Allowed 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.569 1.548 . . . . 0.0 108.048 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -158.5 -162.84 12.19 Favored Glycine 0 CA--C 1.53 1.023 0 C-N-CA 124.797 1.189 . . . . 0.0 111.589 -178.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -51.86 119.03 3.84 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 125.654 1.582 . . . . 0.0 114.718 -178.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.19 -29.05 18.49 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.06 1.744 . . . . 0.0 112.545 164.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 39.4 m -63.47 88.12 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.611 1.965 . . . . 0.0 111.28 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 59.1 m -59.02 150.59 24.3 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 127.37 2.268 . . . . 0.0 110.779 172.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.1 t -75.99 172.14 13.25 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.353 0.661 . . . . 0.0 110.308 -175.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 79.3 p -57.91 118.62 5.55 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.333 1.053 . . . . 0.0 110.623 176.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 112.66 -22.85 16.13 Favored Glycine 0 CA--C 1.536 1.356 0 C-N-CA 125.36 1.457 . . . . 0.0 113.436 -174.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 35.1 p -122.25 145.76 47.92 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 125.886 1.674 . . . . 0.0 111.312 -177.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 64.4 p -126.67 153.22 45.69 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.6 1.96 . . . . 0.0 108.952 172.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 39.2 t -68.44 111.3 4.59 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -109.85 176.61 5.0 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 126.395 1.878 . . . . 0.0 111.471 -176.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -116.03 134.12 55.3 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.086 1.754 . . . . 0.0 109.625 -177.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 68.9 m -123.25 -70.91 0.75 Allowed 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 165.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -104.08 167.94 9.44 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.4 1.48 . . . . 0.0 110.147 163.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -57.2 -53.95 52.33 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.698 1.599 . . . . 0.0 110.628 169.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -74.93 -31.07 61.43 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.603 1.161 . . . . 0.0 112.092 -179.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -112.6 84.23 1.95 Allowed 'General case' 0 C--N 1.345 0.398 0 C-N-CA 124.632 1.173 . . . . 0.0 109.745 178.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.9 m -108.82 125.1 51.61 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.943 1.697 . . . . 0.0 107.784 171.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -135.13 151.39 50.66 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.163 1.385 . . . . 0.0 112.302 -157.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 84.3 m -69.11 117.19 10.45 Favored 'General case' 0 C--N 1.343 0.318 0 C-N-CA 125.909 1.684 . . . . 0.0 111.276 175.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.7 mt . . . . . 0 C--O 1.251 1.175 0 C-N-CA 125.878 1.671 . . . . 0.0 110.323 -175.495 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.543 0.709 0 N-CA-C 112.905 0.706 . . . . 0.0 112.905 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 28.6 p -85.75 104.51 15.51 Favored 'General case' 0 C--N 1.342 0.26 0 N-CA-C 105.897 -1.89 . . . . 0.0 105.897 161.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -79.34 135.59 36.76 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.85 0.86 . . . . 0.0 109.916 -159.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.5 t -62.75 170.36 2.63 Favored 'General case' 0 C--N 1.345 0.399 0 CA-C-O 123.096 1.427 . . . . 0.0 111.995 177.095 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 17.8 t-160 -61.41 131.29 49.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 112.503 -2.135 . . . . 0.0 108.045 168.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 26.2 m-90 67.79 97.98 0.06 Allowed 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.853 1.261 . . . . 0.0 109.154 -169.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -176.47 114.05 0.46 Allowed Glycine 0 C--N 1.343 0.939 0 N-CA-C 109.556 -1.417 . . . . 0.0 109.556 -167.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -54.81 146.08 18.13 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.558 1.543 . . . . 0.0 111.339 179.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 10.4 p -142.45 -30.82 0.54 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.878 1.271 . . . . 0.0 112.384 -175.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -133.68 92.09 0.25 Allowed Glycine 0 C--N 1.343 0.955 0 C-N-CA 126.127 1.822 . . . . 0.0 109.559 -167.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -142.27 151.44 22.94 Favored Glycine 0 CA--C 1.528 0.906 0 C-N-CA 124.835 1.207 . . . . 0.0 111.533 174.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 80.9 mt -75.11 90.27 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 N-CA-C 106.678 -1.601 . . . . 0.0 106.678 176.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 127.99 -56.22 0.74 Allowed Glycine 0 N--CA 1.482 1.724 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 -169.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -65.93 135.14 54.35 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.341 1.056 . . . . 0.0 110.744 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 75.0 m -130.88 -85.8 0.51 Allowed 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 125.317 1.447 . . . . 0.0 107.602 173.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 52.04 -155.1 4.64 Favored Glycine 0 C--N 1.346 1.111 0 C-N-CA 125.015 1.293 . . . . 0.0 114.081 172.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.1 p -71.13 89.39 0.83 Allowed 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 125.259 1.424 . . . . 0.0 111.624 168.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.471 ' HD2' ' H ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -69.67 -32.5 71.17 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.5 1.12 . . . . 0.0 112.516 172.142 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 98.0 m -71.69 108.83 5.23 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 126.438 1.895 . . . . 0.0 110.69 -174.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.5 m -53.41 168.74 0.15 Allowed 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 126.028 1.731 . . . . 0.0 113.445 166.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.1 t -89.17 175.47 7.36 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.964 1.306 . . . . 0.0 109.657 167.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.4 m -59.9 138.43 57.82 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.241 1.016 . . . . 0.0 111.552 179.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.87 -37.91 3.28 Favored Glycine 0 CA--C 1.533 1.212 0 C-N-CA 124.919 1.247 . . . . 0.0 112.726 -174.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 40.7 p -101.27 134.67 43.96 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.03 1.732 . . . . 0.0 110.215 -178.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.6 p -128.18 135.21 49.41 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 125.894 1.677 . . . . 0.0 108.225 168.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 11.7 t -64.86 126.54 28.31 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 118.439 0.563 . . . . 0.0 112.419 -164.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -112.52 172.95 6.61 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 127.685 2.394 . . . . 0.0 110.836 -174.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -106.23 131.6 53.27 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.986 1.314 . . . . 0.0 109.975 -175.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 68.6 m -119.07 -74.72 0.6 Allowed 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 168.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -103.75 169.71 8.35 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.821 1.648 . . . . 0.0 110.567 170.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -56.39 -54.79 41.45 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.478 1.511 . . . . 0.0 110.618 169.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -74.68 -31.57 61.94 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.604 1.162 . . . . 0.0 111.85 -178.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -113.4 88.89 2.94 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.644 1.177 . . . . 0.0 109.684 -177.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.8 t -95.45 104.71 16.62 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 106.381 -1.711 . . . . 0.0 106.381 168.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -96.72 146.02 25.26 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.072 1.349 . . . . 0.0 112.613 -167.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 48.3 t -70.48 119.6 14.88 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.277 1.431 . . . . 0.0 110.552 174.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 97.1 mt . . . . . 0 C--O 1.251 1.151 0 CA-C-O 116.879 -1.534 . . . . 0.0 111.535 -171.828 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.544 0.735 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.5 p -77.39 97.35 4.9 Favored 'General case' 0 C--N 1.345 0.389 0 N-CA-C 106.557 -1.646 . . . . 0.0 106.557 169.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -74.7 129.26 37.39 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.592 1.157 . . . . 0.0 109.497 -159.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.1 t -59.78 167.23 2.21 Favored 'General case' 0 C--N 1.345 0.409 0 CA-C-O 122.901 1.334 . . . . 0.0 112.449 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 19.2 t-160 -62.8 127.51 31.58 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 112.773 -2.012 . . . . 0.0 108.118 169.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 28.3 m-90 66.1 98.44 0.05 OUTLIER 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.733 1.613 . . . . 0.0 108.71 -166.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -173.32 120.7 0.82 Allowed Glycine 0 C--N 1.34 0.778 0 N-CA-C 108.431 -1.867 . . . . 0.0 108.431 -171.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -62.09 103.45 0.37 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.107 0.963 . . . . 0.0 110.032 -176.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.5 p -89.82 -36.44 15.11 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.334 1.454 . . . . 0.0 111.161 178.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -77.4 -178.17 47.42 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 124.12 0.867 . . . . 0.0 111.338 175.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 108.04 119.98 4.42 Favored Glycine 0 C--N 1.34 0.791 0 N-CA-C 110.272 -1.131 . . . . 0.0 110.272 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 69.5 mt -76.82 80.52 0.7 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 C-N-CA 125.216 1.406 . . . . 0.0 107.248 177.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 122.65 24.69 2.07 Favored Glycine 0 N--CA 1.483 1.804 0 C-N-CA 124.153 0.883 . . . . 0.0 112.412 -175.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -66.24 160.54 24.1 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 118.743 1.272 . . . . 0.0 111.493 171.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.9 m -75.0 67.66 1.73 Allowed 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.406 1.482 . . . . 0.0 111.749 178.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 82.34 -79.87 1.84 Allowed Glycine 0 CA--C 1.532 1.094 0 C-N-CA 125.102 1.334 . . . . 0.0 113.431 167.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.5 p -76.42 120.59 21.87 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.422 1.089 . . . . 0.0 113.743 -160.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.463 ' H ' ' HD3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -103.23 -23.8 13.59 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.861 1.664 . . . . 0.0 111.711 165.91 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.4 m -68.87 93.11 0.53 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.196 1.798 . . . . 0.0 110.654 -175.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 64.0 m -59.57 144.93 46.16 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 126.597 1.959 . . . . 0.0 110.797 172.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.3 t -73.56 172.53 11.18 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.449 0.699 . . . . 0.0 110.742 -175.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 54.0 m -59.52 124.09 18.95 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.975 0.91 . . . . 0.0 110.653 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 110.5 -37.43 3.75 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 125.214 1.388 . . . . 0.0 111.784 -170.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 37.6 p -109.54 143.07 39.72 Favored 'General case' 0 C--N 1.344 0.345 0 C-N-CA 125.399 1.48 . . . . 0.0 111.675 -175.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.4 p -127.48 158.8 36.42 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.185 1.794 . . . . 0.0 109.984 168.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 46.3 t -76.69 93.95 3.73 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.503 1.521 . . . . 0.0 110.465 -170.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -90.67 131.93 36.07 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 126.791 2.036 . . . . 0.0 111.052 -175.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -76.44 135.17 39.42 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 126.03 1.732 . . . . 0.0 110.902 -177.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.7 m -123.72 -71.14 0.73 Allowed 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.039 1.336 . . . . 0.0 107.501 165.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -103.2 168.87 8.9 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.712 1.605 . . . . 0.0 110.178 164.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -56.93 -54.69 43.78 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.708 1.603 . . . . 0.0 110.692 169.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -79.13 -28.43 42.87 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.446 1.099 . . . . 0.0 112.663 -177.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -112.77 90.1 3.25 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.477 1.111 . . . . 0.0 109.589 176.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.2 t -103.92 140.81 37.18 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 107.054 -1.461 . . . . 0.0 107.054 161.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -130.49 146.28 52.0 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.54 1.136 . . . . 0.0 111.745 -170.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 94.8 m -72.84 114.64 11.21 Favored 'General case' 0 C--N 1.341 0.231 0 C-N-CA 125.62 1.568 . . . . 0.0 110.533 175.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 76.5 mt . . . . . 0 C--O 1.251 1.152 0 CA-C-O 116.776 -1.583 . . . . 0.0 110.337 -174.14 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.543 0.674 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 39.3 p -86.46 100.54 12.43 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 106.361 -1.718 . . . . 0.0 106.361 162.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.414 ' HB2' ' HB2' ' A' ' 18' ' ' CYS . 2.7 tt0 -90.57 128.53 36.61 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 126.079 1.752 . . . . 0.0 108.939 -161.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.9 t -66.56 173.35 3.43 Favored 'General case' 0 C--N 1.347 0.474 0 CA-C-O 122.735 1.255 . . . . 0.0 113.26 -165.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 20.7 t-160 -57.88 126.58 28.04 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 112.768 -2.015 . . . . 0.0 108.037 166.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 25.7 m-90 64.98 96.95 0.05 OUTLIER 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.788 1.235 . . . . 0.0 109.263 -166.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -171.15 114.14 0.52 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 108.139 -1.984 . . . . 0.0 108.139 -171.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.95 105.43 1.32 Allowed 'General case' 0 C--N 1.34 0.177 0 C-N-CA 125.634 1.573 . . . . 0.0 109.204 -173.079 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.2 p -92.96 -55.82 3.21 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 126.275 1.83 . . . . 0.0 110.732 -173.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -112.46 76.47 0.23 Allowed Glycine 0 CA--C 1.531 1.054 0 C-N-CA 123.941 0.782 . . . . 0.0 112.19 -166.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -138.12 142.26 13.0 Favored Glycine 0 CA--C 1.531 1.045 0 C-N-CA 124.635 1.112 . . . . 0.0 111.24 -175.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 58.0 mt -83.16 69.31 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 C-N-CA 125.168 1.387 . . . . 0.0 108.328 -178.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 178.75 -61.55 0.08 OUTLIER Glycine 0 N--CA 1.485 1.94 0 N-CA-C 107.951 -2.06 . . . . 0.0 107.951 -173.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -67.54 125.27 25.63 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 126.051 1.741 . . . . 0.0 109.079 172.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 71.2 m -137.03 90.29 2.52 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.759 1.224 . . . . 0.0 109.677 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -168.88 -109.13 0.21 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.346 -1.102 . . . . 0.0 110.346 173.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.414 ' HB2' ' HB2' ' A' ' 4' ' ' GLN . 1.0 OUTLIER -88.83 103.87 16.39 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 126.296 1.838 . . . . 0.0 113.593 -176.153 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.47 -45.63 68.57 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.066 1.347 . . . . 0.0 110.433 163.377 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 93.0 m -59.22 104.63 0.26 Allowed 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 126.924 2.09 . . . . 0.0 112.291 -164.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.1 m -50.26 158.51 0.56 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.757 1.623 . . . . 0.0 113.243 166.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.0 t -78.0 172.01 14.14 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.316 0.647 . . . . 0.0 109.334 164.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 57.1 m -60.95 138.9 58.14 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.859 0.864 . . . . 0.0 111.688 -179.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.35 -40.19 2.55 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 124.986 1.279 . . . . 0.0 111.989 -174.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.9 p -99.52 146.67 26.13 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.396 1.478 . . . . 0.0 111.037 -176.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.6 p -128.01 148.05 50.52 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 126.402 1.881 . . . . 0.0 109.848 175.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 44.8 t -65.78 108.93 2.28 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.59 0.756 . . . . 0.0 109.217 178.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -108.75 176.78 4.98 Favored 'General case' 0 C--N 1.34 0.183 0 C-N-CA 127.494 2.317 . . . . 0.0 110.352 -178.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -127.32 134.02 50.05 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.062 1.345 . . . . 0.0 110.56 -170.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.5 m -124.58 -73.09 0.65 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.023 1.329 . . . . 0.0 107.805 166.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -103.12 168.02 9.45 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.411 1.485 . . . . 0.0 110.576 169.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -54.7 -57.08 12.91 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 126.231 1.812 . . . . 0.0 110.85 172.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -76.47 -31.07 57.56 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.987 1.315 . . . . 0.0 112.295 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -110.38 73.99 0.86 Allowed 'General case' 0 C--N 1.347 0.467 0 C-N-CA 124.404 1.081 . . . . 0.0 109.31 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.9 m -98.14 116.12 29.71 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.663 1.185 . . . . 0.0 107.83 165.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -116.87 149.44 40.06 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.138 1.375 . . . . 0.0 112.559 -163.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 52.0 t -71.22 119.83 15.92 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 126.003 1.721 . . . . 0.0 110.427 174.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.4 mt . . . . . 0 C--O 1.25 1.108 0 C-N-CA 125.011 1.324 . . . . 0.0 110.974 -170.445 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.544 0.725 0 CA-C-O 120.477 0.18 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 66.5 p -73.3 92.26 1.78 Allowed 'General case' 0 C--N 1.346 0.429 0 N-CA-C 107.033 -1.469 . . . . 0.0 107.033 172.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -89.89 132.52 35.25 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.882 1.673 . . . . 0.0 109.069 -160.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.5 t -63.86 173.47 1.79 Allowed 'General case' 0 C--N 1.346 0.423 0 CA-C-O 122.985 1.374 . . . . 0.0 112.854 -168.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.428 ' HA ' HG21 ' A' ' 25' ' ' THR . 18.7 t-160 -61.24 127.43 31.47 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 112.601 -2.091 . . . . 0.0 107.8 167.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 26.9 m-90 65.79 98.35 0.05 OUTLIER 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.155 1.382 . . . . 0.0 108.779 -165.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -171.51 115.06 0.56 Allowed Glycine 0 C--N 1.339 0.737 0 N-CA-C 107.551 -2.22 . . . . 0.0 107.551 -168.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -61.29 112.89 2.33 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.511 0.724 . . . . 0.0 109.442 -171.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.7 p -111.96 33.27 4.91 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.186 1.394 . . . . 0.0 111.665 -175.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 161.45 133.79 1.54 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 109.868 -1.293 . . . . 0.0 109.868 -177.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 164.8 146.13 4.65 Favored Glycine 0 CA--C 1.529 0.914 0 C-N-CA 124.985 1.279 . . . . 0.0 111.381 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 87.5 mt -72.95 97.11 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 175.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 135.77 -59.97 0.64 Allowed Glycine 0 N--CA 1.481 1.675 0 N-CA-C 109.17 -1.572 . . . . 0.0 109.17 -171.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -69.58 116.44 9.99 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.131 0.973 . . . . 0.0 109.359 177.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.3 m -136.38 85.74 2.17 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.233 1.413 . . . . 0.0 108.563 179.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -168.32 -127.86 0.95 Allowed Glycine 0 CA--C 1.531 1.052 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -70.26 99.84 1.6 Allowed 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 125.846 1.658 . . . . 0.0 114.031 -176.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.31 -21.67 42.33 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.396 1.478 . . . . 0.0 112.889 157.269 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 41.7 m -64.26 91.0 0.07 Allowed 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 126.4 1.88 . . . . 0.0 111.179 -179.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 62.4 m -64.77 146.43 54.82 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.556 1.942 . . . . 0.0 110.695 173.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.3 t -73.13 172.09 11.73 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.26 0.624 . . . . 0.0 110.762 -173.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 64.7 m -64.49 104.37 0.78 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.457 1.103 . . . . 0.0 109.695 176.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 132.29 -18.86 4.65 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 125.69 1.614 . . . . 0.0 112.978 -171.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.428 HG21 ' HA ' ' A' ' 6' ' ' HIS . 23.3 p -134.35 148.91 50.79 Favored 'General case' 0 C--N 1.344 0.329 0 C-N-CA 126.083 1.753 . . . . 0.0 111.26 -177.1 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 80.1 p -125.75 151.98 45.97 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.529 1.932 . . . . 0.0 108.606 171.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 40.8 t -69.63 110.16 4.7 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -177.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -105.17 173.77 6.16 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 126.711 2.004 . . . . 0.0 110.662 178.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -126.39 132.73 51.48 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 125.219 1.408 . . . . 0.0 110.273 -171.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 44.9 t -119.64 -75.56 0.58 Allowed 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.188 1.395 . . . . 0.0 107.718 168.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -104.02 166.16 10.59 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.986 1.714 . . . . 0.0 110.762 174.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -55.64 -51.29 67.72 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.005 1.722 . . . . 0.0 110.902 170.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -74.69 -31.79 62.0 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.622 1.169 . . . . 0.0 112.014 178.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -113.69 87.33 2.59 Favored 'General case' 0 C--N 1.345 0.411 0 C-N-CA 124.278 1.031 . . . . 0.0 110.516 -176.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.2 t -93.41 138.65 31.53 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 106.931 -1.507 . . . . 0.0 106.931 161.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -144.5 146.38 32.38 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 119.169 0.895 . . . . 0.0 113.084 -170.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 94.6 m -69.29 116.74 10.07 Favored 'General case' 0 C--N 1.345 0.372 0 C-N-CA 126.519 1.928 . . . . 0.0 111.286 175.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.3 mt . . . . . 0 C--O 1.252 1.189 0 CA-C-O 116.838 -1.553 . . . . 0.0 110.512 -176.854 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.541 0.614 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 36.6 p -82.38 98.1 8.68 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 163.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -74.27 135.57 42.64 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.347 1.459 . . . . 0.0 109.814 -164.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.1 t -65.32 173.23 2.67 Favored 'General case' 0 C--N 1.345 0.391 0 CA-C-O 122.943 1.354 . . . . 0.0 112.028 178.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 20.3 t-160 -66.21 127.26 31.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 112.822 -1.99 . . . . 0.0 108.204 171.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 28.1 m-90 66.47 97.45 0.05 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.884 1.274 . . . . 0.0 109.137 -169.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -174.38 114.31 0.5 Allowed Glycine 0 C--N 1.339 0.713 0 N-CA-C 106.902 -2.479 . . . . 0.0 106.902 -170.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -56.42 104.24 0.14 Allowed 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.317 1.047 . . . . 0.0 109.715 -177.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 24.3 p -91.84 -47.68 7.2 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.938 1.295 . . . . 0.0 110.638 -173.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -103.86 -145.14 14.3 Favored Glycine 0 CA--C 1.531 1.047 0 C-N-CA 125.042 1.305 . . . . 0.0 110.152 -179.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 84.45 136.45 3.36 Favored Glycine 0 CA--C 1.531 1.049 0 C-N-CA 124.039 0.828 . . . . 0.0 112.124 167.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 89.1 mt -67.64 124.45 23.07 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 C-N-CA 124.787 1.235 . . . . 0.0 108.977 -178.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 119.27 -47.32 1.04 Allowed Glycine 0 N--CA 1.483 1.832 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -178.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -60.38 141.76 55.85 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.949 1.3 . . . . 0.0 112.225 -172.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.4 m -136.47 84.4 2.07 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.345 1.458 . . . . 0.0 108.573 177.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -179.67 -169.38 39.92 Favored Glycine 0 CA--C 1.534 1.241 0 C-N-CA 123.6 0.619 . . . . 0.0 112.607 179.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -50.04 124.53 10.28 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 127.632 2.373 . . . . 0.0 114.37 -179.359 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.3 mtmm -93.01 -48.46 6.5 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.257 1.423 . . . . 0.0 109.549 173.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 90.1 m -59.26 103.04 0.15 Allowed 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 126.492 1.917 . . . . 0.0 111.062 -171.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.9 m -51.75 167.57 0.1 Allowed 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.805 2.042 . . . . 0.0 113.269 169.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.8 t -86.29 177.85 7.35 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.052 0.941 . . . . 0.0 109.551 168.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.1 t -60.7 136.69 58.14 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.252 1.021 . . . . 0.0 111.332 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.62 -33.51 5.13 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 124.903 1.239 . . . . 0.0 113.203 -176.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.4 p -101.47 144.61 30.04 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.711 1.605 . . . . 0.0 111.105 -176.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 81.5 p -127.7 145.41 50.91 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 127.541 2.336 . . . . 0.0 109.635 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 51.5 t -68.72 119.59 13.36 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 178.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -125.75 170.67 11.34 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 127.138 2.175 . . . . 0.0 110.776 -173.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -109.87 136.1 49.71 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 126.384 1.874 . . . . 0.0 109.432 -178.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.8 t -118.71 -74.33 0.61 Allowed 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.93 1.292 . . . . 0.0 107.895 169.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -102.66 168.26 9.37 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 126.251 1.82 . . . . 0.0 110.596 171.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -53.9 -53.78 47.86 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 126.206 1.803 . . . . 0.0 111.095 170.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -81.85 -29.26 32.61 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.043 1.337 . . . . 0.0 112.79 -177.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -115.44 104.57 11.89 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.375 1.47 . . . . 0.0 110.747 -179.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 57.2 m -115.22 115.82 27.32 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 125.93 1.692 . . . . 0.0 108.19 175.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -108.57 149.32 29.03 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.379 1.472 . . . . 0.0 113.709 -163.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 52.9 t -75.01 122.79 24.06 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.092 1.757 . . . . 0.0 110.191 171.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.9 mt . . . . . 0 C--O 1.251 1.139 0 CA-C-O 117.149 -1.405 . . . . 0.0 111.258 -166.973 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 p . . . . . 0 CA--C 1.535 0.394 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 66.5 p -52.34 108.51 0.3 Allowed 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.294 1.037 . . . . 0.0 109.599 -169.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -86.76 119.56 27.12 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 -150.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.9 t -57.02 167.09 0.88 Allowed 'General case' 0 C--N 1.347 0.469 0 CA-C-O 122.922 1.344 . . . . 0.0 112.426 -178.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 19.3 t-160 -58.79 127.7 33.5 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 112.773 -2.012 . . . . 0.0 108.408 175.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 27.6 m-90 66.38 99.61 0.05 OUTLIER 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.278 1.431 . . . . 0.0 108.26 -163.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -166.27 112.51 0.5 Allowed Glycine 0 C--N 1.341 0.842 0 N-CA-C 107.722 -2.151 . . . . 0.0 107.722 -167.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -75.05 104.1 5.49 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 -168.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.1 p -96.76 -38.55 9.84 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 127.146 2.179 . . . . 0.0 111.465 -173.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.422 ' HA3' ' H ' ' A' ' 35' ' ' SER . . . -41.14 -65.75 1.04 Allowed Glycine 0 CA--C 1.536 1.39 0 C-N-CA 127.992 2.71 . . . . 0.0 116.829 -175.302 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -42.66 127.21 4.81 Favored Glycine 0 C--N 1.345 1.056 0 C-N-CA 126.407 1.956 . . . . 0.0 115.733 -159.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 72.0 mt -74.28 87.71 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 N-CA-C 105.347 -2.094 . . . . 0.0 105.347 165.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 142.25 -49.59 0.74 Allowed Glycine 0 N--CA 1.483 1.786 0 N-CA-C 109.361 -1.495 . . . . 0.0 109.361 -164.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -63.68 123.55 19.14 Favored 'General case' 0 C--N 1.347 0.457 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 167.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.7 m -135.56 177.65 7.66 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.315 1.046 . . . . 0.0 112.088 -173.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 87.16 -79.37 1.8 Allowed Glycine 0 C--N 1.342 0.882 0 N-CA-C 109.439 -1.464 . . . . 0.0 109.439 -175.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.5 p -118.98 87.36 2.72 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 125.936 1.694 . . . . 0.0 113.448 -170.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.08 -20.76 60.89 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.222 152.639 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 84.9 m -74.35 103.52 4.76 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 126.197 1.799 . . . . 0.0 110.839 -173.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 67.2 m -64.42 154.29 36.12 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.757 2.023 . . . . 0.0 111.288 170.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.4 t -77.55 173.74 11.66 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 121.226 0.536 . . . . 0.0 110.354 -177.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.7 t -60.08 126.3 27.01 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.924 0.89 . . . . 0.0 110.679 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 106.39 -36.48 4.37 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 125.13 1.348 . . . . 0.0 112.045 -172.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 36.8 p -107.72 142.56 37.53 Favored 'General case' 0 C--N 1.344 0.357 0 C-N-CA 125.219 1.408 . . . . 0.0 111.368 -175.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.8 p -128.18 157.94 39.43 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.01 1.724 . . . . 0.0 110.296 168.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 40.9 t -74.82 91.44 2.43 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.974 1.71 . . . . 0.0 110.321 -171.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -88.22 127.85 35.45 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 126.782 2.033 . . . . 0.0 111.101 -175.39 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -81.54 135.04 35.58 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 126.257 1.823 . . . . 0.0 111.257 -171.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.3 m -121.92 -70.89 0.76 Allowed 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.327 1.451 . . . . 0.0 107.425 166.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -102.5 171.98 7.13 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.844 1.658 . . . . 0.0 110.001 166.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -58.93 -55.99 28.01 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.84 1.256 . . . . 0.0 110.441 168.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -79.76 -26.38 40.73 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.5 1.12 . . . . 0.0 112.635 -174.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -112.58 94.28 4.84 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.995 1.318 . . . . 0.0 109.341 174.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.422 ' H ' ' HA3' ' A' ' 11' ' ' GLY . 12.0 t -115.76 143.5 45.3 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 106.883 -1.525 . . . . 0.0 106.883 162.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -135.38 145.59 47.49 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.951 0.9 . . . . 0.0 111.846 -168.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 87.2 m -71.38 115.81 10.98 Favored 'General case' 0 C--N 1.341 0.224 0 C-N-CA 125.578 1.551 . . . . 0.0 110.516 176.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 78.6 mt . . . . . 0 C--O 1.251 1.18 0 C-N-CA 125.144 1.377 . . . . 0.0 110.116 -174.777 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.541 0.625 0 CA-C-O 120.681 0.277 . . . . 0.0 111.398 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 64.3 p -77.71 85.57 4.02 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 106.956 -1.498 . . . . 0.0 106.956 168.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -74.6 129.81 38.4 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 126.712 2.005 . . . . 0.0 109.314 -166.085 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.8 t -67.1 174.4 3.15 Favored 'General case' 0 C--N 1.343 0.32 0 CA-C-O 122.998 1.38 . . . . 0.0 111.982 -171.12 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -64.4 125.78 25.7 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 112.581 -2.1 . . . . 0.0 108.119 170.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 27.1 m-90 66.03 97.42 0.05 OUTLIER 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.182 1.393 . . . . 0.0 108.533 -166.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -177.64 123.76 0.9 Allowed Glycine 0 C--N 1.34 0.777 0 N-CA-C 107.814 -2.115 . . . . 0.0 107.814 -165.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -69.79 151.2 46.04 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 117.001 0.4 . . . . 0.0 110.636 -171.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.0 p -143.15 -46.89 0.3 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.253 1.421 . . . . 0.0 110.511 -174.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -116.32 60.82 0.42 Allowed Glycine 0 CA--C 1.534 1.248 0 C-N-CA 124.444 1.021 . . . . 0.0 112.483 -170.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -110.08 135.54 12.94 Favored Glycine 0 C--N 1.343 0.925 0 C-N-CA 124.351 0.976 . . . . 0.0 110.946 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 52.3 mt -83.4 64.51 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 C-N-CA 124.897 1.279 . . . . 0.0 107.62 175.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 168.8 -62.24 0.19 Allowed Glycine 0 N--CA 1.486 1.989 0 N-CA-C 107.857 -2.097 . . . . 0.0 107.857 -167.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -62.86 124.29 20.68 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.758 1.623 . . . . 0.0 109.363 172.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.5 m -130.52 75.0 1.63 Allowed 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.282 1.433 . . . . 0.0 108.342 -176.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -157.79 -164.07 13.46 Favored Glycine 0 CA--C 1.532 1.127 0 C-N-CA 124.768 1.175 . . . . 0.0 111.576 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -41.56 118.35 1.06 Allowed 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 126.366 1.866 . . . . 0.0 115.939 -178.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.38 -33.23 16.13 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.548 1.939 . . . . 0.0 111.118 168.207 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 33.1 m -64.68 87.43 0.06 Allowed 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.84 2.056 . . . . 0.0 111.479 -173.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 59.9 m -56.98 146.67 26.22 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 127.123 2.169 . . . . 0.0 110.312 170.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.1 t -72.37 173.35 8.86 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.021 0.529 . . . . 0.0 110.494 -174.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.8 t -58.06 119.12 6.23 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.226 1.01 . . . . 0.0 110.657 179.175 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 107.17 -17.08 38.11 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 125.437 1.494 . . . . 0.0 113.858 -175.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 45.1 p -119.17 144.77 46.5 Favored 'General case' 0 C--N 1.344 0.358 0 C-N-CA 125.673 1.589 . . . . 0.0 111.061 -177.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 74.2 p -127.31 144.85 50.97 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 127.26 2.224 . . . . 0.0 109.343 179.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 36.3 t -68.01 101.13 1.07 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.072 0.949 . . . . 0.0 108.808 177.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -105.63 118.24 36.08 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 126.555 1.942 . . . . 0.0 109.426 -173.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -73.57 134.23 43.71 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.359 1.464 . . . . 0.0 110.133 177.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.3 t -120.55 -73.32 0.65 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.933 1.293 . . . . 0.0 107.768 169.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -102.49 168.02 9.56 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.605 1.562 . . . . 0.0 110.152 170.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -62.16 -45.72 92.18 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.169 0.988 . . . . 0.0 111.597 174.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -78.59 -34.15 47.05 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.297 1.039 . . . . 0.0 112.163 176.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -112.35 90.97 3.49 Favored 'General case' 0 C--N 1.348 0.51 0 CA-C-N 119.591 1.087 . . . . 0.0 110.135 -175.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 67.5 m -118.82 122.43 42.36 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.637 1.575 . . . . 0.0 108.467 172.146 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -129.33 147.93 51.2 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.773 1.229 . . . . 0.0 112.828 -160.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 88.3 m -70.5 119.06 14.1 Favored 'General case' 0 C--N 1.343 0.313 0 C-N-CA 125.906 1.682 . . . . 0.0 110.677 173.206 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 91.2 mt . . . . . 0 C--O 1.251 1.149 0 C-N-CA 125.763 1.625 . . . . 0.0 109.981 -173.289 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.542 0.667 0 N-CA-C 113.013 0.745 . . . . 0.0 113.013 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 37.5 p -98.93 118.52 35.87 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 105.351 -2.092 . . . . 0.0 105.351 156.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.68 142.33 37.23 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 -168.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.5 t -68.07 179.11 1.6 Allowed 'General case' 0 C--N 1.344 0.363 0 CA-C-O 122.637 1.208 . . . . 0.0 111.27 -178.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 21.6 t-160 -62.16 125.0 22.35 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 113.58 -1.646 . . . . 0.0 107.741 167.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 25.5 m-90 64.91 96.63 0.05 OUTLIER 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.017 1.327 . . . . 0.0 109.145 -163.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -165.79 113.84 0.56 Allowed Glycine 0 C--N 1.341 0.835 0 N-CA-C 106.878 -2.489 . . . . 0.0 106.878 -173.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -69.51 101.12 1.53 Allowed 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 124.287 1.035 . . . . 0.0 109.196 -170.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 24.0 p -93.93 -44.02 8.28 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 126.312 1.845 . . . . 0.0 112.017 -165.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -84.58 -107.41 0.62 Allowed Glycine 0 CA--C 1.532 1.14 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 -178.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 74.64 126.88 0.16 Allowed Glycine 0 CA--C 1.53 1.029 0 C-N-CA 125.264 1.412 . . . . 0.0 113.517 166.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 48.5 mt -84.15 62.08 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 C-N-CA 124.678 1.191 . . . . 0.0 107.967 173.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 178.53 -64.54 0.08 OUTLIER Glycine 0 N--CA 1.487 2.033 0 N-CA-C 108.999 -1.64 . . . . 0.0 108.999 -170.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -67.0 127.36 32.29 Favored 'General case' 0 C--N 1.344 0.367 0 C-N-CA 125.52 1.528 . . . . 0.0 109.274 176.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.1 m -135.5 78.9 1.75 Allowed 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 125.239 1.416 . . . . 0.0 108.227 178.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -154.23 -135.44 2.09 Favored Glycine 0 CA--C 1.53 0.974 0 C-N-CA 124.637 1.113 . . . . 0.0 110.398 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.2 p -74.56 117.94 16.96 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.076 1.35 . . . . 0.0 113.723 -175.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.13 -15.74 14.59 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 127.182 2.193 . . . . 0.0 113.73 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.4 m -75.85 90.21 2.92 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.644 1.178 . . . . 0.0 110.061 -173.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 61.5 m -58.08 140.81 51.86 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 126.247 1.819 . . . . 0.0 110.725 176.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.8 t -72.29 175.18 6.34 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 121.227 0.537 . . . . 0.0 111.187 -173.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.2 t -57.09 127.63 32.9 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.144 0.978 . . . . 0.0 111.096 -178.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.42 -36.67 4.12 Favored Glycine 0 CA--C 1.535 1.337 0 C-N-CA 125.063 1.316 . . . . 0.0 112.101 -171.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 60.3 p -104.48 143.63 32.77 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 125.202 1.401 . . . . 0.0 111.543 -174.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 65.8 p -125.55 153.56 43.47 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 126.518 1.927 . . . . 0.0 108.944 174.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 52.4 t -71.2 107.06 4.03 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 -178.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -105.21 179.06 4.38 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.39 1.876 . . . . 0.0 111.154 -176.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -135.57 133.82 38.74 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.582 1.553 . . . . 0.0 109.483 -175.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 73.7 m -123.7 -77.72 0.59 Allowed 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 169.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -106.03 163.0 13.11 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.911 1.684 . . . . 0.0 110.22 165.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -47.77 -60.55 2.49 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 127.339 2.255 . . . . 0.0 113.038 -176.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -74.02 -27.55 61.01 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.639 1.176 . . . . 0.0 112.25 -175.138 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -110.65 69.7 0.7 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.878 1.671 . . . . 0.0 109.653 -178.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 69.0 m -97.41 105.75 17.95 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 127.128 2.171 . . . . 0.0 106.699 172.244 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -121.94 152.73 39.37 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.531 1.133 . . . . 0.0 112.984 -156.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 91.8 m -70.44 116.61 10.98 Favored 'General case' 0 C--N 1.344 0.328 0 C-N-CA 125.552 1.541 . . . . 0.0 111.125 174.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.3 mt . . . . . 0 C--O 1.252 1.206 0 C-N-CA 125.791 1.636 . . . . 0.0 109.821 -174.179 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.545 0.755 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 77.1 p -74.04 91.72 2.08 Favored 'General case' 0 C--N 1.344 0.368 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 174.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -86.4 132.76 33.87 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 126.74 2.016 . . . . 0.0 108.844 -164.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.5 t -68.87 176.86 2.85 Favored 'General case' 0 C--N 1.345 0.393 0 CA-C-O 122.917 1.341 . . . . 0.0 112.582 -166.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 20.6 t-160 -64.65 126.63 28.52 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 112.674 -2.057 . . . . 0.0 108.076 169.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 25.8 m-90 65.44 98.19 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.071 1.348 . . . . 0.0 108.903 -166.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -177.35 114.57 0.47 Allowed Glycine 0 C--N 1.339 0.718 0 N-CA-C 107.38 -2.288 . . . . 0.0 107.38 -167.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -57.25 140.46 49.77 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.357 0.663 . . . . 0.0 109.706 -179.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.7 p -135.38 -42.35 0.71 Allowed 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.231 1.412 . . . . 0.0 110.473 -169.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -101.32 -137.15 9.61 Favored Glycine 0 CA--C 1.532 1.114 0 N-CA-C 109.062 -1.615 . . . . 0.0 109.062 169.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.84 127.41 0.64 Allowed Glycine 0 CA--C 1.532 1.148 0 C-N-CA 124.209 0.909 . . . . 0.0 112.04 175.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 83.1 mt -70.78 115.15 9.95 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 C-N-CA 124.549 1.14 . . . . 0.0 108.554 178.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 126.12 -55.79 0.73 Allowed Glycine 0 N--CA 1.482 1.717 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 -177.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -65.11 122.44 17.06 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.051 1.341 . . . . 0.0 109.886 178.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 64.4 m -130.86 72.44 1.5 Allowed 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.603 1.561 . . . . 0.0 108.257 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -151.91 -168.61 16.44 Favored Glycine 0 CA--C 1.531 1.042 0 C-N-CA 125.255 1.407 . . . . 0.0 111.189 179.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -42.34 118.46 1.18 Allowed 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 116.189 1.922 . . . . 0.0 116.189 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.464 ' H ' ' HD3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -93.4 -27.85 16.49 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 127.151 2.18 . . . . 0.0 112.148 169.275 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 52.2 m -65.61 89.94 0.11 Allowed 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.073 1.749 . . . . 0.0 110.789 -176.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 62.0 m -61.62 141.1 58.01 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 126.764 2.026 . . . . 0.0 110.02 171.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.7 t -69.62 171.77 8.45 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.184 0.594 . . . . 0.0 110.432 -174.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.9 t -58.21 124.42 19.35 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.758 0.823 . . . . 0.0 110.961 -179.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 109.56 -36.51 4.27 Favored Glycine 0 CA--C 1.536 1.385 0 C-N-CA 125.259 1.409 . . . . 0.0 111.974 -171.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 49.3 p -107.51 145.7 32.77 Favored 'General case' 0 C--N 1.344 0.36 0 C-N-CA 125.423 1.489 . . . . 0.0 111.577 -174.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 81.3 p -126.08 152.36 45.95 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 126.708 2.003 . . . . 0.0 109.112 174.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 43.4 t -69.27 110.37 4.59 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 179.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -106.19 178.84 4.44 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 126.281 1.832 . . . . 0.0 111.088 -177.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -144.12 131.38 20.76 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.38 1.472 . . . . 0.0 109.289 -170.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 43.8 t -110.87 -77.32 0.59 Allowed 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 106.814 -1.55 . . . . 0.0 106.814 169.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -106.2 -179.06 3.83 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.741 1.616 . . . . 0.0 111.219 165.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -54.8 -59.19 5.07 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.922 1.689 . . . . 0.0 112.059 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -74.79 -25.63 59.19 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.523 1.529 . . . . 0.0 112.547 -172.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -110.17 86.96 2.4 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.716 1.207 . . . . 0.0 109.137 -176.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 72.8 m -116.14 107.51 14.99 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 126.359 1.863 . . . . 0.0 107.79 175.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -123.57 150.73 43.71 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.433 1.493 . . . . 0.0 112.014 -163.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 68.8 m -70.54 118.33 13.21 Favored 'General case' 0 C--N 1.344 0.345 0 C-N-CA 125.641 1.577 . . . . 0.0 110.933 174.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.0 mt . . . . . 0 C--O 1.252 1.186 0 C-N-CA 125.773 1.629 . . . . 0.0 109.965 -175.042 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.541 0.616 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.3 p -78.67 90.34 4.59 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 106.925 -1.509 . . . . 0.0 106.925 166.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -84.31 134.35 34.51 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 126.426 1.891 . . . . 0.0 109.023 -167.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.4 t -65.84 172.92 3.2 Favored 'General case' 0 C--N 1.346 0.435 0 CA-C-O 122.957 1.361 . . . . 0.0 112.971 -168.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 22.2 t-160 -61.31 128.34 35.89 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 112.605 -2.088 . . . . 0.0 108.215 166.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 26.0 m-90 64.62 96.78 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.124 1.37 . . . . 0.0 108.94 -167.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -168.79 112.92 0.5 Allowed Glycine 0 C--N 1.34 0.765 0 N-CA-C 108.068 -2.013 . . . . 0.0 108.068 -168.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -63.85 108.98 1.6 Allowed 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.476 0.711 . . . . 0.0 109.142 -175.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.0 p -89.09 -52.72 4.93 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.118 1.367 . . . . 0.0 108.853 176.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -108.29 133.72 11.82 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 125.206 1.384 . . . . 0.0 109.66 174.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 167.12 131.45 1.27 Allowed Glycine 0 CA--C 1.53 1.022 0 N-CA-C 108.893 -1.683 . . . . 0.0 108.893 -178.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 69.5 mt -78.85 76.41 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 C-N-CA 124.809 1.244 . . . . 0.0 108.592 -172.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 175.21 -59.79 0.11 Allowed Glycine 0 N--CA 1.484 1.894 0 N-CA-C 108.032 -2.027 . . . . 0.0 108.032 -171.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -75.67 130.86 39.41 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.327 1.851 . . . . 0.0 109.929 177.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 71.1 m -136.93 89.87 2.48 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.481 1.512 . . . . 0.0 108.487 175.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -170.36 -133.49 1.61 Allowed Glycine 0 CA--C 1.531 1.035 0 N-CA-C 111.271 -0.731 . . . . 0.0 111.271 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -62.87 106.48 0.82 Allowed 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 126.836 2.054 . . . . 0.0 115.725 -179.727 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -80.01 -29.9 39.49 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.506 1.522 . . . . 0.0 112.083 160.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 51.1 m -63.71 92.43 0.07 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.614 1.566 . . . . 0.0 111.303 -173.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 62.3 m -64.83 144.49 57.23 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 127.229 2.212 . . . . 0.0 110.169 174.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.5 t -72.16 180.0 3.08 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.711 0.804 . . . . 0.0 111.231 -173.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.7 m -55.68 122.38 11.25 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.865 1.266 . . . . 0.0 111.018 178.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.79 8.86 69.19 Favored Glycine 0 CA--C 1.539 1.538 0 C-N-CA 125.223 1.392 . . . . 0.0 114.322 -177.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 66.2 p -137.84 142.34 40.75 Favored 'General case' 0 C--N 1.345 0.387 0 C-N-CA 125.4 1.48 . . . . 0.0 110.111 177.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 60.2 p -125.99 153.61 44.09 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 126.16 1.784 . . . . 0.0 109.308 175.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 32.4 t -68.04 101.61 1.16 Allowed 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 177.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -98.36 177.42 5.37 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 126.237 1.815 . . . . 0.0 110.345 178.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -136.12 132.48 36.13 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 125.078 1.351 . . . . 0.0 109.88 -172.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.7 m -120.88 -72.98 0.66 Allowed 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.209 1.404 . . . . 0.0 107.492 168.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -103.06 169.5 8.52 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.783 1.633 . . . . 0.0 110.3 170.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -57.19 -54.0 51.72 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.517 1.527 . . . . 0.0 110.545 168.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -74.37 -30.07 61.82 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.684 1.194 . . . . 0.0 111.822 -177.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -113.43 84.72 2.06 Favored 'General case' 0 C--N 1.346 0.413 0 C-N-CA 124.932 1.293 . . . . 0.0 109.951 179.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.0 m -114.08 115.61 27.84 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.65 1.18 . . . . 0.0 108.344 169.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -128.44 153.25 47.31 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.941 1.296 . . . . 0.0 112.641 -157.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 86.5 m -69.8 120.5 15.64 Favored 'General case' 0 C--N 1.344 0.355 0 C-N-CA 125.773 1.629 . . . . 0.0 111.108 174.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.0 mt . . . . . 0 C--O 1.251 1.136 0 C-N-CA 125.719 1.608 . . . . 0.0 109.615 -175.51 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.544 0.715 0 CA-C-O 121.046 0.451 . . . . 0.0 110.813 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 26.3 p -101.67 110.73 22.77 Favored 'General case' 0 C--N 1.343 0.287 0 N-CA-C 104.507 -2.405 . . . . 0.0 104.507 157.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.1 143.76 43.22 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 -159.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.1 t -64.15 174.7 1.48 Allowed 'General case' 0 C--N 1.344 0.367 0 CA-C-O 122.77 1.272 . . . . 0.0 111.588 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 21.3 t-160 -59.73 126.55 28.03 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 113.205 -1.816 . . . . 0.0 107.878 166.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 23.9 m-90 63.51 95.7 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.347 1.459 . . . . 0.0 109.036 -164.059 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -161.51 125.55 1.45 Allowed Glycine 0 C--N 1.343 0.942 0 N-CA-C 108.161 -1.976 . . . . 0.0 108.161 -174.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -69.87 97.34 1.1 Allowed 'General case' 0 C--N 1.342 0.259 0 C-N-CA 124.133 0.973 . . . . 0.0 110.64 -174.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.6 p -89.61 -22.32 22.38 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.515 1.526 . . . . 0.0 111.137 175.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -74.73 -158.61 6.41 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 125.975 1.75 . . . . 0.0 110.867 172.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.45 106.83 0.44 Allowed Glycine 0 CA--C 1.527 0.794 0 N-CA-C 110.732 -0.947 . . . . 0.0 110.732 170.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 84.7 mt -69.48 95.24 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.442 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 173.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 144.67 -65.4 0.45 Allowed Glycine 0 N--CA 1.48 1.57 0 N-CA-C 108.333 -1.907 . . . . 0.0 108.333 -171.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -87.53 76.66 8.93 Favored 'General case' 0 C--N 1.345 0.382 0 C-N-CA 123.793 0.837 . . . . 0.0 108.778 172.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 65.0 m -123.65 47.49 2.02 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.572 1.149 . . . . 0.0 109.233 168.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -86.89 -83.96 1.14 Allowed Glycine 0 C--N 1.344 1.014 0 N-CA-C 108.06 -2.016 . . . . 0.0 108.06 173.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.9 p -89.8 117.07 28.37 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 124.64 1.176 . . . . 0.0 110.522 171.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.8 -23.0 5.16 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 127.948 2.499 . . . . 0.0 111.357 179.558 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 54.1 m -70.49 92.43 0.83 Allowed 'General case' 0 C--N 1.346 0.449 0 C-N-CA 125.966 1.706 . . . . 0.0 110.057 -175.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 65.8 m -57.05 142.71 41.16 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.666 1.986 . . . . 0.0 110.758 175.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.1 t -71.87 173.51 8.19 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 122.965 0.506 . . . . 0.0 111.168 -172.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.1 t -57.16 126.2 26.14 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.951 0.9 . . . . 0.0 111.133 -178.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 104.66 -36.86 4.11 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 125.13 1.347 . . . . 0.0 111.992 -171.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 58.6 p -106.53 140.05 40.03 Favored 'General case' 0 C--N 1.343 0.324 0 C-N-CA 125.446 1.498 . . . . 0.0 111.394 -174.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 29.4 p -127.28 157.52 39.64 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.047 1.739 . . . . 0.0 109.914 169.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 42.1 t -73.61 93.32 2.03 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.388 1.475 . . . . 0.0 110.423 -172.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -88.36 135.06 33.64 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 126.871 2.068 . . . . 0.0 110.381 -179.175 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -99.56 133.88 43.24 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.674 1.59 . . . . 0.0 111.026 -171.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.5 t -117.45 -73.17 0.65 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.54 1.536 . . . . 0.0 107.59 167.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -102.52 169.76 8.46 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.921 1.689 . . . . 0.0 110.451 172.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -55.09 -56.01 24.62 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.312 1.445 . . . . 0.0 110.541 168.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -78.44 -25.87 46.08 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.399 1.08 . . . . 0.0 112.723 -175.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -112.89 93.62 4.51 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.112 1.365 . . . . 0.0 109.839 177.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.0 t -115.72 129.9 56.64 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 106.143 -1.799 . . . . 0.0 106.143 164.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -128.13 146.52 50.68 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.401 1.081 . . . . 0.0 111.954 -169.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 98.1 m -72.77 115.66 12.33 Favored 'General case' 0 C--N 1.341 0.232 0 C-N-CA 125.652 1.581 . . . . 0.0 110.374 175.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 77.8 mt . . . . . 0 C--O 1.251 1.149 0 CA-C-O 116.945 -1.503 . . . . 0.0 110.104 -174.754 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.542 0.666 0 CA-C-O 120.812 0.339 . . . . 0.0 111.274 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 56.5 p -79.59 87.31 5.17 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 106.749 -1.575 . . . . 0.0 106.749 167.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -74.99 129.76 38.19 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 126.325 1.85 . . . . 0.0 109.933 -163.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.6 t -63.33 169.14 3.84 Favored 'General case' 0 C--N 1.344 0.36 0 CA-C-O 122.805 1.288 . . . . 0.0 112.028 -173.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.411 ' HA ' HG21 ' A' ' 25' ' ' THR . 18.7 t-160 -62.09 125.26 23.24 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 112.866 -1.97 . . . . 0.0 107.597 167.696 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 25.6 m-90 65.94 98.07 0.05 OUTLIER 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.276 1.431 . . . . 0.0 108.672 -166.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -178.66 122.55 0.81 Allowed Glycine 0 C--N 1.339 0.732 0 N-CA-C 107.522 -2.231 . . . . 0.0 107.522 -166.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -65.96 144.57 56.68 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.992 0.396 . . . . 0.0 110.0 -170.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.7 p -146.42 14.79 1.27 Allowed 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.967 1.707 . . . . 0.0 111.985 -171.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 178.6 134.17 2.05 Favored Glycine 0 CA--C 1.531 1.062 0 N-CA-C 109.549 -1.421 . . . . 0.0 109.549 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 163.62 147.51 5.09 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 125.094 1.331 . . . . 0.0 111.563 -179.082 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 53.9 mt -84.43 64.66 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 C-N-CA 124.965 1.306 . . . . 0.0 107.936 177.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 177.34 -64.06 0.09 OUTLIER Glycine 0 N--CA 1.484 1.891 0 N-CA-C 108.121 -1.992 . . . . 0.0 108.121 -171.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -70.36 122.5 19.71 Favored 'General case' 0 C--N 1.345 0.399 0 C-N-CA 125.416 1.486 . . . . 0.0 109.115 174.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.0 m -130.79 73.87 1.56 Allowed 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 125.491 1.517 . . . . 0.0 107.955 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -153.44 -162.21 10.88 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 124.837 1.208 . . . . 0.0 111.748 -176.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -45.55 117.82 1.57 Allowed 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 126.536 1.934 . . . . 0.0 114.922 -178.411 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.92 -20.79 16.61 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 126.094 1.758 . . . . 0.0 112.571 167.361 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 41.2 m -67.39 86.35 0.18 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.028 1.731 . . . . 0.0 110.53 178.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 61.5 m -57.0 145.91 28.85 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.885 2.074 . . . . 0.0 110.559 171.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.7 t -73.12 169.16 17.59 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.299 0.64 . . . . 0.0 110.22 -175.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 80.5 p -59.47 120.1 8.75 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.844 0.858 . . . . 0.0 110.597 177.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 117.82 -38.67 2.86 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 125.285 1.421 . . . . 0.0 111.484 -169.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.411 HG21 ' HA ' ' A' ' 6' ' ' HIS . 31.8 p -112.68 147.77 36.07 Favored 'General case' 0 C--N 1.345 0.389 0 C-N-CA 125.455 1.502 . . . . 0.0 112.182 -175.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 73.6 p -128.01 157.62 40.14 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 127.375 2.27 . . . . 0.0 109.522 170.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 41.1 t -77.34 106.02 8.82 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.806 0.843 . . . . 0.0 110.589 -174.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -96.07 135.1 38.31 Favored 'General case' 0 C--N 1.343 0.29 0 C-N-CA 127.317 2.247 . . . . 0.0 110.47 178.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -92.9 134.18 35.35 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.836 1.654 . . . . 0.0 109.392 175.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 68.8 m -111.39 -80.02 0.58 Allowed 'General case' 0 C--N 1.344 0.342 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 171.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -107.56 177.46 4.83 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.673 1.589 . . . . 0.0 111.916 169.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -51.42 -55.51 18.3 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.397 1.879 . . . . 0.0 112.031 179.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -77.65 -27.54 51.04 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.085 1.354 . . . . 0.0 112.669 -173.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -115.27 100.23 7.98 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.706 1.202 . . . . 0.0 111.189 -176.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.1 t -112.38 129.84 56.17 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 159.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -129.77 148.46 51.65 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.543 1.537 . . . . 0.0 111.729 -171.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 94.8 m -72.5 116.5 13.04 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.964 1.706 . . . . 0.0 110.986 175.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 94.9 mt . . . . . 0 C--O 1.252 1.192 0 C-N-CA 125.783 1.633 . . . . 0.0 110.449 -174.256 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.545 0.755 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 38.2 p -102.54 118.92 37.91 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 105.904 -1.887 . . . . 0.0 105.904 166.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.96 144.44 31.86 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 -168.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.8 t -64.79 174.81 1.69 Allowed 'General case' 0 C--N 1.344 0.336 0 CA-C-O 122.759 1.266 . . . . 0.0 111.296 175.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 22.1 t-160 -58.25 128.03 35.09 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 113.299 -1.773 . . . . 0.0 107.817 164.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 27.0 m-90 65.7 96.35 0.05 Allowed 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.177 1.391 . . . . 0.0 109.1 -165.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -166.8 120.74 0.93 Allowed Glycine 0 CA--C 1.532 1.132 0 N-CA-C 108.917 -1.673 . . . . 0.0 108.917 -172.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -74.63 111.45 9.83 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 125.355 1.462 . . . . 0.0 111.342 -172.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.4 p -90.89 -48.46 7.0 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.001 0.52 . . . . 0.0 110.505 172.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -105.5 85.87 0.47 Allowed Glycine 0 C--N 1.344 0.998 0 N-CA-C 109.529 -1.428 . . . . 0.0 109.529 -174.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -142.58 116.43 1.04 Allowed Glycine 0 CA--C 1.529 0.912 0 C-N-CA 126.251 1.882 . . . . 0.0 109.029 170.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 93.1 mt -44.78 -30.33 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.558 1.254 0 N-CA-C 116.07 1.878 . . . . 0.0 116.07 -175.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -89.04 -43.64 5.3 Favored Glycine 0 N--CA 1.488 2.126 0 CA-C-N 121.567 1.985 . . . . 0.0 110.405 175.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -56.58 117.58 4.01 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.496 1.518 . . . . 0.0 110.226 176.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.9 m -136.39 79.41 1.76 Allowed 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 125.451 1.5 . . . . 0.0 108.32 178.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -149.54 -119.94 1.01 Allowed Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.154 -1.178 . . . . 0.0 110.154 -179.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.2 p -89.64 122.25 32.59 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 125.843 1.657 . . . . 0.0 113.627 -177.324 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -91.36 -48.05 7.12 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 126.663 1.985 . . . . 0.0 111.396 175.007 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 49.6 m -62.63 99.75 0.16 Allowed 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.979 1.712 . . . . 0.0 112.092 -166.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 65.4 m -57.66 153.24 13.72 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 126.355 1.862 . . . . 0.0 111.625 173.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.8 t -75.16 175.93 7.8 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 121.283 0.563 . . . . 0.0 111.054 -177.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 56.2 m -59.46 131.97 52.58 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.095 0.958 . . . . 0.0 111.115 -179.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.6 -37.81 3.32 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 124.908 1.242 . . . . 0.0 112.111 -172.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 37.9 p -101.33 141.18 34.58 Favored 'General case' 0 C--N 1.344 0.358 0 C-N-CA 125.092 1.357 . . . . 0.0 111.143 -175.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 71.7 p -125.64 149.01 48.79 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 126.535 1.934 . . . . 0.0 108.024 170.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 36.4 t -70.25 101.14 1.83 Allowed 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 -179.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -80.42 177.68 8.82 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.866 1.666 . . . . 0.0 110.024 175.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -137.86 132.28 32.29 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.338 1.055 . . . . 0.0 110.305 -170.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 68.9 m -122.09 -70.56 0.77 Allowed 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.537 1.535 . . . . 0.0 107.331 167.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -102.85 168.98 8.87 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.035 1.734 . . . . 0.0 110.23 171.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -60.23 -48.18 82.84 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.578 1.151 . . . . 0.0 110.435 168.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -76.62 -28.06 55.96 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.834 1.254 . . . . 0.0 111.884 -176.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -114.5 86.76 2.49 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.869 1.267 . . . . 0.0 109.727 178.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.8 m -115.67 113.09 23.06 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.476 1.11 . . . . 0.0 108.253 170.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -127.56 145.17 50.95 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.235 1.414 . . . . 0.0 112.724 -158.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 80.2 m -62.36 119.2 8.63 Favored 'General case' 0 C--N 1.346 0.437 0 C-N-CA 125.997 1.719 . . . . 0.0 112.019 176.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.1 mt . . . . . 0 C--O 1.251 1.171 0 C-N-CA 126.021 1.728 . . . . 0.0 109.718 -178.02 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.542 0.646 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.7 p -81.55 100.84 9.6 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 106.199 -1.778 . . . . 0.0 106.199 161.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -74.81 128.78 36.39 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.833 1.253 . . . . 0.0 109.221 -165.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.9 t -63.79 174.66 1.35 Allowed 'General case' 0 C--N 1.345 0.399 0 CA-C-O 122.968 1.366 . . . . 0.0 112.232 -179.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 20.4 t-160 -64.26 128.05 34.13 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 112.88 -1.964 . . . . 0.0 108.25 170.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 28.5 m-90 66.12 98.29 0.05 OUTLIER 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.367 1.467 . . . . 0.0 108.982 -167.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -171.42 115.79 0.6 Allowed Glycine 0 C--N 1.34 0.803 0 N-CA-C 108.111 -1.995 . . . . 0.0 108.111 -172.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -62.32 104.47 0.5 Allowed 'General case' 0 C--N 1.342 0.245 0 C-N-CA 124.13 0.972 . . . . 0.0 109.486 -177.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.4 p -91.39 -42.85 10.09 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 125.786 1.634 . . . . 0.0 110.594 -171.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -120.4 143.58 16.64 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 125.995 1.76 . . . . 0.0 110.506 178.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 165.06 141.55 3.16 Favored Glycine 0 CA--C 1.529 0.919 0 C-N-CA 124.607 1.099 . . . . 0.0 112.062 179.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 55.1 mt -84.85 65.92 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 C-N-CA 125.199 1.399 . . . . 0.0 107.794 176.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -178.99 -64.36 0.07 OUTLIER Glycine 0 N--CA 1.485 1.916 0 N-CA-C 108.123 -1.991 . . . . 0.0 108.123 -173.053 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -67.42 133.4 49.5 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.388 1.475 . . . . 0.0 109.35 172.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.5 m -134.47 80.4 1.85 Allowed 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 125.27 1.428 . . . . 0.0 108.284 -177.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -165.1 -157.52 9.8 Favored Glycine 0 CA--C 1.532 1.136 0 C-N-CA 124.377 0.989 . . . . 0.0 111.734 -179.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -51.39 125.3 13.96 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 127.036 2.134 . . . . 0.0 114.523 -176.315 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.3 mtmm -95.57 -44.08 7.65 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.556 1.543 . . . . 0.0 110.145 174.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 62.2 m -59.96 95.81 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.938 2.095 . . . . 0.0 111.657 -168.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 63.7 m -61.41 145.46 51.58 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 126.429 1.892 . . . . 0.0 110.685 174.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.8 t -73.65 175.92 6.7 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.596 0.759 . . . . 0.0 111.015 -173.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.3 t -58.4 118.19 5.29 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.508 1.123 . . . . 0.0 110.426 177.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 107.74 -14.74 38.13 Favored Glycine 0 CA--C 1.538 1.489 0 C-N-CA 125.433 1.492 . . . . 0.0 113.793 -175.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 40.8 p -127.86 141.44 51.56 Favored 'General case' 0 C--N 1.344 0.33 0 C-N-CA 125.779 1.632 . . . . 0.0 110.739 -178.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.8 p -127.44 157.79 39.09 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 126.157 1.783 . . . . 0.0 109.97 169.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 42.9 t -74.28 94.46 2.5 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.349 1.46 . . . . 0.0 110.31 -171.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -91.21 134.94 34.14 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 126.407 1.883 . . . . 0.0 110.516 -177.524 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -82.91 133.89 35.1 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.748 1.619 . . . . 0.0 110.035 178.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.6 m -118.73 -73.47 0.64 Allowed 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.861 1.264 . . . . 0.0 107.824 168.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -102.95 166.59 10.36 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.802 1.641 . . . . 0.0 110.552 171.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -50.57 -53.68 28.55 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.416 1.887 . . . . 0.0 111.03 169.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -79.35 -29.99 42.45 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.925 1.29 . . . . 0.0 112.591 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -112.41 92.86 4.18 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 119.521 1.055 . . . . 0.0 111.041 -174.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.72 130.38 48.1 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 162.18 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -131.01 148.81 52.8 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.805 1.242 . . . . 0.0 111.923 -173.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 91.2 m -70.71 118.78 13.94 Favored 'General case' 0 C--N 1.343 0.29 0 C-N-CA 125.821 1.648 . . . . 0.0 110.832 174.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 79.2 mt . . . . . 0 C--O 1.251 1.135 0 CA-C-O 116.912 -1.518 . . . . 0.0 110.104 -175.475 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.542 0.653 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 63.6 p -77.42 83.86 3.84 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 168.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -74.99 130.52 39.5 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 126.791 2.036 . . . . 0.0 109.541 -166.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.5 t -65.28 173.85 2.36 Favored 'General case' 0 C--N 1.344 0.36 0 CA-C-O 123.073 1.416 . . . . 0.0 112.016 -173.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 20.4 t-160 -62.2 127.02 29.37 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 112.656 -2.066 . . . . 0.0 108.082 170.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 26.0 m-90 66.59 98.93 0.05 OUTLIER 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.337 1.455 . . . . 0.0 108.562 -165.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -170.4 116.38 0.64 Allowed Glycine 0 C--N 1.34 0.796 0 N-CA-C 108.015 -2.034 . . . . 0.0 108.015 -166.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -67.77 108.76 3.08 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.51 0.724 . . . . 0.0 109.511 -171.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.1 p -89.77 -30.38 18.03 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.792 1.237 . . . . 0.0 110.83 171.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -77.48 -144.16 1.98 Allowed Glycine 0 CA--C 1.533 1.189 0 C-N-CA 125.324 1.44 . . . . 0.0 111.892 176.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.36 106.99 0.34 Allowed Glycine 0 C--N 1.342 0.863 0 C-N-CA 124.444 1.021 . . . . 0.0 110.882 176.269 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 57.6 mt -80.28 68.11 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 170.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 172.53 -59.71 0.15 Allowed Glycine 0 N--CA 1.485 1.946 0 N-CA-C 107.405 -2.278 . . . . 0.0 107.405 -164.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -62.54 126.83 28.67 Favored 'General case' 0 C--N 1.345 0.379 0 C-N-CA 125.338 1.455 . . . . 0.0 108.811 167.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.4 m -135.08 83.03 1.99 Allowed 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.757 1.223 . . . . 0.0 108.568 -177.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -169.75 -139.66 2.78 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 111.126 -0.789 . . . . 0.0 111.126 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.0 117.9 5.63 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 116.272 1.953 . . . . 0.0 116.272 -173.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.485 ' H ' ' HD3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -94.67 -28.77 15.17 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 127.091 2.156 . . . . 0.0 111.718 162.535 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.0 m -67.94 90.07 0.3 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.879 1.672 . . . . 0.0 110.923 -175.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 63.2 m -60.0 150.84 27.9 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 127.481 2.312 . . . . 0.0 110.824 172.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.0 t -75.63 173.84 10.52 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.244 0.618 . . . . 0.0 110.718 -174.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 78.2 p -59.17 114.44 2.62 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.63 1.172 . . . . 0.0 110.489 177.082 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 112.36 -13.92 25.6 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 125.498 1.523 . . . . 0.0 113.649 -174.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 40.3 p -129.25 145.69 51.3 Favored 'General case' 0 C--N 1.344 0.351 0 C-N-CA 125.652 1.581 . . . . 0.0 111.405 -178.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 56.5 p -128.87 152.62 48.32 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 127.473 2.309 . . . . 0.0 109.511 174.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 18.5 t -69.39 97.24 0.96 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.874 1.27 . . . . 0.0 109.86 -179.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.58 129.22 34.94 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 126.431 1.892 . . . . 0.0 109.442 177.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -93.88 133.97 36.74 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.334 1.454 . . . . 0.0 109.822 -178.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.9 m -124.08 -73.4 0.64 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.842 1.257 . . . . 0.0 107.878 168.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -103.09 166.6 10.34 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.59 1.556 . . . . 0.0 110.396 169.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -55.52 -52.04 65.02 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.827 1.651 . . . . 0.0 110.729 170.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -76.55 -31.47 57.61 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.511 1.124 . . . . 0.0 112.253 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -112.87 86.8 2.44 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.461 1.104 . . . . 0.0 109.873 -178.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.0 m -116.9 132.43 56.7 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.912 1.285 . . . . 0.0 107.866 162.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -138.0 148.75 45.46 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.815 1.246 . . . . 0.0 111.449 -165.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 86.8 m -71.99 118.33 14.71 Favored 'General case' 0 C--N 1.342 0.269 0 C-N-CA 125.624 1.57 . . . . 0.0 111.05 176.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.1 mt . . . . . 0 C--O 1.252 1.203 0 C-N-CA 125.488 1.515 . . . . 0.0 110.251 -176.37 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 90.5 p . . . . . 0 N--CA 1.475 0.798 0 N-CA-C 111.743 0.275 . . . . 0.0 111.743 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -64.21 155.81 30.66 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.959 1.303 . . . . 0.0 112.734 179.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 34.1 p -80.44 105.03 11.39 Favored 'General case' 0 C--N 1.342 0.256 0 N-CA-C 105.923 -1.88 . . . . 0.0 105.923 159.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -74.24 137.49 43.05 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.789 1.236 . . . . 0.0 109.747 -164.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.8 t -68.43 171.14 7.77 Favored 'General case' 0 C--N 1.344 0.356 0 CA-C-O 122.694 1.235 . . . . 0.0 112.181 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -62.63 130.02 43.18 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 113.005 -1.907 . . . . 0.0 108.081 166.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 28.5 m-90 64.17 96.09 0.05 OUTLIER 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.432 1.493 . . . . 0.0 109.062 -166.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -167.62 119.22 0.83 Allowed Glycine 0 C--N 1.345 1.03 0 N-CA-C 110.447 -1.061 . . . . 0.0 110.447 -171.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -69.95 111.99 6.04 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.819 1.247 . . . . 0.0 110.909 -177.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.1 p -90.35 -47.42 7.76 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 164.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -38.97 -56.36 2.18 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 127.901 2.667 . . . . 0.0 116.431 -175.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -55.33 121.13 21.27 Favored Glycine 0 C--N 1.344 1.026 0 C-N-CA 125.186 1.374 . . . . 0.0 112.493 -168.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 65.0 mt -77.74 75.47 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 125.319 1.448 . . . . 0.0 107.448 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 171.1 -40.07 0.18 Allowed Glycine 0 N--CA 1.485 1.941 0 N-CA-C 110.274 -1.131 . . . . 0.0 110.274 -161.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -51.81 153.7 2.37 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 127.097 2.159 . . . . 0.0 113.297 -176.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.4 m -78.83 69.01 4.93 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.121 1.369 . . . . 0.0 111.838 -178.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 82.38 -66.61 3.86 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 124.802 1.192 . . . . 0.0 114.592 162.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.2 p -71.14 120.54 16.86 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.71 1.204 . . . . 0.0 113.835 -161.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.01 -27.56 11.08 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 127.041 2.136 . . . . 0.0 112.438 172.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 87.7 m -72.1 86.62 1.05 Allowed 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.537 1.535 . . . . 0.0 110.474 -171.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 69.4 m -50.81 142.09 12.08 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.638 1.975 . . . . 0.0 111.012 169.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.5 t -69.24 172.67 6.61 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.955 0.902 . . . . 0.0 110.682 -173.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 84.0 p -55.81 127.53 30.59 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.899 0.88 . . . . 0.0 111.544 -179.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.86 -36.8 4.06 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 125.109 1.338 . . . . 0.0 112.284 -171.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 70.4 p -106.27 139.29 41.01 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.403 1.481 . . . . 0.0 111.074 -174.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.8 p -127.51 153.49 46.28 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.71 2.004 . . . . 0.0 109.244 167.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 36.9 t -75.48 94.61 3.15 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.362 0.665 . . . . 0.0 110.302 -172.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -81.87 128.52 34.12 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 127.322 2.249 . . . . 0.0 110.818 -177.28 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -83.34 136.64 34.28 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 126.071 1.749 . . . . 0.0 110.839 -172.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.5 m -124.83 -69.12 0.81 Allowed 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.045 1.338 . . . . 0.0 107.69 165.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -103.22 169.01 8.81 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.928 1.691 . . . . 0.0 110.015 166.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -56.09 -52.73 63.24 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.611 1.565 . . . . 0.0 110.991 169.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -81.65 -24.5 36.29 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.998 1.319 . . . . 0.0 112.674 -177.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -112.73 85.66 2.21 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.695 1.198 . . . . 0.0 109.666 175.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.9 m -116.73 120.01 37.23 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.445 1.498 . . . . 0.0 107.346 166.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -121.92 141.77 50.96 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.542 1.537 . . . . 0.0 112.052 -164.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 73.1 m -62.01 118.36 7.19 Favored 'General case' 0 C--N 1.343 0.289 0 C-N-CA 125.358 1.463 . . . . 0.0 111.109 173.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.4 mt . . . . . 0 C--O 1.251 1.163 0 CA-C-O 116.957 -1.497 . . . . 0.0 109.972 -179.53 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 66.1 m . . . . . 0 N--CA 1.475 0.822 0 CA-C-O 120.696 0.284 . . . . 0.0 111.687 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.1 p -58.68 144.0 44.86 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.629 1.572 . . . . 0.0 112.609 177.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 47.6 p -76.84 93.92 3.81 Favored 'General case' 0 C--N 1.344 0.331 0 N-CA-C 106.695 -1.594 . . . . 0.0 106.695 170.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -76.77 130.13 37.26 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 126.611 1.964 . . . . 0.0 109.346 -161.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.9 t -64.91 169.69 4.99 Favored 'General case' 0 C--N 1.343 0.308 0 CA-C-O 122.904 1.335 . . . . 0.0 111.668 -174.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -64.29 125.05 23.35 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 112.764 -2.016 . . . . 0.0 107.913 170.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 27.2 m-90 65.8 98.01 0.05 OUTLIER 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.683 1.193 . . . . 0.0 108.528 -165.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -177.4 118.32 0.63 Allowed Glycine 0 C--N 1.339 0.711 0 N-CA-C 106.933 -2.467 . . . . 0.0 106.933 -165.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -64.12 143.19 58.06 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 109.881 -0.415 . . . . 0.0 109.881 -170.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.5 p -143.45 18.03 1.87 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.135 1.774 . . . . 0.0 112.121 -173.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 174.28 140.22 3.2 Favored Glycine 0 CA--C 1.531 1.065 0 C-N-CA 125.015 1.293 . . . . 0.0 110.072 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 161.26 149.05 5.49 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 125.372 1.463 . . . . 0.0 111.125 -178.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 56.3 mt -82.62 66.51 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 C-N-CA 124.929 1.291 . . . . 0.0 107.742 177.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 172.38 -56.57 0.16 Allowed Glycine 0 N--CA 1.485 1.932 0 N-CA-C 109.501 -1.44 . . . . 0.0 109.501 -167.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -63.5 134.07 54.96 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.87 1.668 . . . . 0.0 111.503 -175.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.6 m -135.92 78.7 1.73 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.71 1.604 . . . . 0.0 108.214 177.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -163.45 -166.98 23.19 Favored Glycine 0 CA--C 1.532 1.148 0 C-N-CA 124.365 0.983 . . . . 0.0 111.756 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -56.91 122.75 12.99 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 114.919 1.452 . . . . 0.0 114.919 -177.456 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -79.97 -43.43 22.07 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.312 1.445 . . . . 0.0 111.731 163.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.6 m -59.08 92.53 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.803 2.041 . . . . 0.0 112.123 -172.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 58.9 m -59.78 151.82 24.45 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 127.634 2.374 . . . . 0.0 110.964 172.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.7 t -77.32 177.3 8.04 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 123.354 0.662 . . . . 0.0 110.604 -176.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 55.6 m -57.82 125.46 23.14 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.526 1.13 . . . . 0.0 110.793 178.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 99.59 -22.09 42.14 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 125.124 1.345 . . . . 0.0 113.755 -176.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 49.0 p -113.65 141.6 47.02 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 125.633 1.573 . . . . 0.0 110.741 -177.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 60.7 p -126.36 151.09 48.08 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.131 1.773 . . . . 0.0 109.057 173.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 41.8 t -69.45 106.8 3.09 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.262 0.625 . . . . 0.0 109.348 -178.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -104.9 175.73 5.39 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 126.844 2.057 . . . . 0.0 110.89 -178.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -132.26 136.22 46.8 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.279 1.432 . . . . 0.0 110.404 -168.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 71.9 m -116.67 -79.22 0.59 Allowed 'General case' 0 C--N 1.344 0.343 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 168.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -107.19 177.22 4.91 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.86 1.664 . . . . 0.0 111.455 167.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -64.57 -44.05 91.93 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.795 1.238 . . . . 0.0 112.832 -175.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -73.69 -29.44 62.29 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.403 1.081 . . . . 0.0 111.899 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -114.21 88.22 2.81 Favored 'General case' 0 C--N 1.344 0.364 0 C-N-CA 124.918 1.287 . . . . 0.0 110.306 -174.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.3 t -99.95 126.64 46.14 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 164.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -135.04 146.1 48.64 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.48 1.112 . . . . 0.0 112.305 -168.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 92.2 m -69.23 120.44 15.06 Favored 'General case' 0 C--N 1.343 0.321 0 C-N-CA 126.058 1.743 . . . . 0.0 111.487 175.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.6 mt . . . . . 0 C--O 1.251 1.165 0 C-N-CA 126.052 1.741 . . . . 0.0 109.719 -174.325 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 52.6 m . . . . . 0 N--CA 1.476 0.87 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.56 167.55 8.75 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.222 1.409 . . . . 0.0 112.539 177.418 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 37.2 p -103.55 115.47 30.56 Favored 'General case' 0 C--N 1.342 0.264 0 N-CA-C 105.81 -1.922 . . . . 0.0 105.81 162.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.46 141.86 28.3 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 -169.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.2 t -65.95 -179.58 0.75 Allowed 'General case' 0 C--N 1.344 0.335 0 CA-C-O 122.829 1.299 . . . . 0.0 111.194 178.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.424 ' HA ' HG21 ' A' ' 25' ' ' THR . 18.4 t-160 -61.79 126.86 28.84 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 113.467 -1.697 . . . . 0.0 107.68 167.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 26.6 m-90 67.09 98.57 0.05 Allowed 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.603 1.561 . . . . 0.0 108.954 -164.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -174.89 123.67 0.96 Allowed Glycine 0 CA--C 1.528 0.855 0 N-CA-C 107.613 -2.195 . . . . 0.0 107.613 -175.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -61.36 152.14 30.3 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.729 0.811 . . . . 0.0 112.321 -171.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.4 p -138.76 -31.45 0.72 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.424 1.49 . . . . 0.0 111.815 177.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -76.1 -171.08 31.29 Favored Glycine 0 CA--C 1.536 1.367 0 N-CA-C 111.618 -0.593 . . . . 0.0 111.618 171.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 98.46 117.02 3.73 Favored Glycine 0 C--N 1.341 0.85 0 C-N-CA 124.392 0.996 . . . . 0.0 110.702 176.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 69.3 mt -77.31 83.03 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 C-N-CA 125.25 1.42 . . . . 0.0 107.538 178.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 115.27 36.62 1.19 Allowed Glycine 0 N--CA 1.483 1.809 0 C-N-CA 124.181 0.896 . . . . 0.0 111.343 -175.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -88.53 156.53 19.03 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.455 1.502 . . . . 0.0 110.456 174.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.9 m -73.32 87.8 1.52 Allowed 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.45 1.1 . . . . 0.0 108.034 174.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -83.48 60.92 4.83 Favored Glycine 0 CA--C 1.528 0.854 0 N-CA-C 116.231 1.252 . . . . 0.0 116.231 -146.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.3 p -79.5 78.27 6.04 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 123.568 0.747 . . . . 0.0 111.804 148.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.38 -21.15 64.72 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.077 1.351 . . . . 0.0 112.952 169.082 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 61.3 m -70.59 95.36 1.08 Allowed 'General case' 0 C--N 1.346 0.414 0 C-N-CA 125.663 1.585 . . . . 0.0 110.317 -173.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 57.4 m -61.51 149.49 38.68 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.006 1.722 . . . . 0.0 110.886 172.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.9 t -75.01 172.1 12.92 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 121.097 0.475 . . . . 0.0 110.397 -176.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.7 m -66.44 99.55 0.57 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.322 1.049 . . . . 0.0 109.477 175.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 138.24 -16.47 3.41 Favored Glycine 0 CA--C 1.537 1.444 0 C-N-CA 125.696 1.617 . . . . 0.0 112.92 -171.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.424 HG21 ' HA ' ' A' ' 6' ' ' HIS . 17.8 p -137.89 149.88 46.62 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.867 1.667 . . . . 0.0 111.431 -177.153 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 44.3 p -127.96 157.73 39.78 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.342 1.857 . . . . 0.0 110.27 167.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.3 t -74.47 97.83 3.19 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.456 1.502 . . . . 0.0 109.867 -173.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -92.66 135.34 34.18 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 126.852 2.061 . . . . 0.0 110.126 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -82.81 135.62 34.91 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.649 1.58 . . . . 0.0 110.547 -177.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 67.6 m -121.53 -74.49 0.61 Allowed 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.817 1.247 . . . . 0.0 107.88 168.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -103.06 167.98 9.48 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 126.199 1.8 . . . . 0.0 110.529 170.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -55.8 -53.56 55.25 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.846 1.658 . . . . 0.0 111.014 169.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -85.25 -27.19 26.21 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.844 1.257 . . . . 0.0 112.712 -175.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -115.03 103.44 10.9 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.065 0.946 . . . . 0.0 110.398 174.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.0 m -117.22 150.54 38.58 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.601 1.161 . . . . 0.0 108.81 162.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -140.09 147.7 40.65 Favored 'General case' 0 C--N 1.345 0.381 0 C-N-CA 123.607 0.763 . . . . 0.0 112.906 -167.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 89.6 m -73.53 110.89 8.16 Favored 'General case' 0 C--N 1.341 0.201 0 C-N-CA 126.392 1.877 . . . . 0.0 110.097 173.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.8 mt . . . . . 0 C--O 1.252 1.197 0 CA-C-O 116.537 -1.697 . . . . 0.0 110.803 -172.524 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 93.5 p . . . . . 0 N--CA 1.476 0.847 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.78 137.37 58.07 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.31 1.444 . . . . 0.0 112.547 -176.51 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 53.3 p -75.91 92.82 3.14 Favored 'General case' 0 C--N 1.344 0.362 0 N-CA-C 106.791 -1.559 . . . . 0.0 106.791 171.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -79.8 129.25 34.33 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 126.103 1.761 . . . . 0.0 109.364 -160.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.9 t -65.32 170.98 4.19 Favored 'General case' 0 C--N 1.343 0.316 0 CA-C-O 122.9 1.333 . . . . 0.0 111.76 -172.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 19.5 t-160 -63.44 124.69 21.97 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 112.823 -1.989 . . . . 0.0 107.725 170.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 26.9 m-90 67.72 99.29 0.05 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.987 1.315 . . . . 0.0 108.595 -165.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -179.06 117.03 0.55 Allowed Glycine 0 C--N 1.338 0.674 0 N-CA-C 107.109 -2.396 . . . . 0.0 107.109 -166.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -63.41 143.26 57.96 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 117.059 0.429 . . . . 0.0 109.881 -171.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 27.2 p -134.78 -40.44 0.77 Allowed 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 125.326 1.451 . . . . 0.0 110.602 -173.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -117.55 138.54 14.17 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 125.542 1.544 . . . . 0.0 109.95 175.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 161.7 136.8 2.06 Favored Glycine 0 CA--C 1.529 0.933 0 C-N-CA 124.452 1.025 . . . . 0.0 111.207 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 56.5 mt -83.23 67.83 0.53 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 C-N-CA 125.136 1.374 . . . . 0.0 108.031 179.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 177.38 -60.47 0.1 OUTLIER Glycine 0 N--CA 1.485 1.941 0 N-CA-C 108.481 -1.847 . . . . 0.0 108.481 -171.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -65.46 132.05 47.96 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.911 1.685 . . . . 0.0 110.209 175.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.7 m -135.05 76.47 1.63 Allowed 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.569 1.548 . . . . 0.0 108.048 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -158.5 -162.84 12.19 Favored Glycine 0 CA--C 1.53 1.023 0 C-N-CA 124.797 1.189 . . . . 0.0 111.589 -178.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -51.86 119.03 3.84 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 125.654 1.582 . . . . 0.0 114.718 -178.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.19 -29.05 18.49 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.06 1.744 . . . . 0.0 112.545 164.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 39.4 m -63.47 88.12 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.611 1.965 . . . . 0.0 111.28 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 59.1 m -59.02 150.59 24.3 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 127.37 2.268 . . . . 0.0 110.779 172.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.1 t -75.99 172.14 13.25 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.353 0.661 . . . . 0.0 110.308 -175.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 79.3 p -57.91 118.62 5.55 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.333 1.053 . . . . 0.0 110.623 176.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 112.66 -22.85 16.13 Favored Glycine 0 CA--C 1.536 1.356 0 C-N-CA 125.36 1.457 . . . . 0.0 113.436 -174.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 35.1 p -122.25 145.76 47.92 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 125.886 1.674 . . . . 0.0 111.312 -177.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 64.4 p -126.67 153.22 45.69 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.6 1.96 . . . . 0.0 108.952 172.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 39.2 t -68.44 111.3 4.59 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -109.85 176.61 5.0 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 126.395 1.878 . . . . 0.0 111.471 -176.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -116.03 134.12 55.3 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.086 1.754 . . . . 0.0 109.625 -177.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 68.9 m -123.25 -70.91 0.75 Allowed 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 165.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -104.08 167.94 9.44 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.4 1.48 . . . . 0.0 110.147 163.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -57.2 -53.95 52.33 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.698 1.599 . . . . 0.0 110.628 169.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -74.93 -31.07 61.43 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.603 1.161 . . . . 0.0 112.092 -179.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -112.6 84.23 1.95 Allowed 'General case' 0 C--N 1.345 0.398 0 C-N-CA 124.632 1.173 . . . . 0.0 109.745 178.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.9 m -108.82 125.1 51.61 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.943 1.697 . . . . 0.0 107.784 171.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -135.13 151.39 50.66 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.163 1.385 . . . . 0.0 112.302 -157.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 84.3 m -69.11 117.19 10.45 Favored 'General case' 0 C--N 1.343 0.318 0 C-N-CA 125.909 1.684 . . . . 0.0 111.276 175.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.7 mt . . . . . 0 C--O 1.251 1.175 0 C-N-CA 125.878 1.671 . . . . 0.0 110.323 -175.495 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 85.3 p . . . . . 0 N--CA 1.478 0.956 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -61.66 153.88 26.84 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.971 1.308 . . . . 0.0 112.905 -177.147 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 28.6 p -85.75 104.51 15.51 Favored 'General case' 0 C--N 1.342 0.26 0 N-CA-C 105.897 -1.89 . . . . 0.0 105.897 161.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -79.34 135.59 36.76 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.85 0.86 . . . . 0.0 109.916 -159.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.5 t -62.75 170.36 2.63 Favored 'General case' 0 C--N 1.345 0.399 0 CA-C-O 123.096 1.427 . . . . 0.0 111.995 177.095 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 17.8 t-160 -61.41 131.29 49.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 112.503 -2.135 . . . . 0.0 108.045 168.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 26.2 m-90 67.79 97.98 0.06 Allowed 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.853 1.261 . . . . 0.0 109.154 -169.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -176.47 114.05 0.46 Allowed Glycine 0 C--N 1.343 0.939 0 N-CA-C 109.556 -1.417 . . . . 0.0 109.556 -167.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -54.81 146.08 18.13 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.558 1.543 . . . . 0.0 111.339 179.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 10.4 p -142.45 -30.82 0.54 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.878 1.271 . . . . 0.0 112.384 -175.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -133.68 92.09 0.25 Allowed Glycine 0 C--N 1.343 0.955 0 C-N-CA 126.127 1.822 . . . . 0.0 109.559 -167.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -142.27 151.44 22.94 Favored Glycine 0 CA--C 1.528 0.906 0 C-N-CA 124.835 1.207 . . . . 0.0 111.533 174.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 80.9 mt -75.11 90.27 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 N-CA-C 106.678 -1.601 . . . . 0.0 106.678 176.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 127.99 -56.22 0.74 Allowed Glycine 0 N--CA 1.482 1.724 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 -169.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -65.93 135.14 54.35 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.341 1.056 . . . . 0.0 110.744 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 75.0 m -130.88 -85.8 0.51 Allowed 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 125.317 1.447 . . . . 0.0 107.602 173.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 52.04 -155.1 4.64 Favored Glycine 0 C--N 1.346 1.111 0 C-N-CA 125.015 1.293 . . . . 0.0 114.081 172.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.1 p -71.13 89.39 0.83 Allowed 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 125.259 1.424 . . . . 0.0 111.624 168.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.471 ' HD2' ' H ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -69.67 -32.5 71.17 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.5 1.12 . . . . 0.0 112.516 172.142 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 98.0 m -71.69 108.83 5.23 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 126.438 1.895 . . . . 0.0 110.69 -174.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.5 m -53.41 168.74 0.15 Allowed 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 126.028 1.731 . . . . 0.0 113.445 166.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.1 t -89.17 175.47 7.36 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.964 1.306 . . . . 0.0 109.657 167.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.4 m -59.9 138.43 57.82 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.241 1.016 . . . . 0.0 111.552 179.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.87 -37.91 3.28 Favored Glycine 0 CA--C 1.533 1.212 0 C-N-CA 124.919 1.247 . . . . 0.0 112.726 -174.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 40.7 p -101.27 134.67 43.96 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.03 1.732 . . . . 0.0 110.215 -178.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.6 p -128.18 135.21 49.41 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 125.894 1.677 . . . . 0.0 108.225 168.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 11.7 t -64.86 126.54 28.31 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 118.439 0.563 . . . . 0.0 112.419 -164.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -112.52 172.95 6.61 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 127.685 2.394 . . . . 0.0 110.836 -174.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -106.23 131.6 53.27 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.986 1.314 . . . . 0.0 109.975 -175.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 68.6 m -119.07 -74.72 0.6 Allowed 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 168.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -103.75 169.71 8.35 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.821 1.648 . . . . 0.0 110.567 170.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -56.39 -54.79 41.45 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.478 1.511 . . . . 0.0 110.618 169.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -74.68 -31.57 61.94 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.604 1.162 . . . . 0.0 111.85 -178.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -113.4 88.89 2.94 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.644 1.177 . . . . 0.0 109.684 -177.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.8 t -95.45 104.71 16.62 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 106.381 -1.711 . . . . 0.0 106.381 168.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -96.72 146.02 25.26 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.072 1.349 . . . . 0.0 112.613 -167.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 48.3 t -70.48 119.6 14.88 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.277 1.431 . . . . 0.0 110.552 174.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 97.1 mt . . . . . 0 C--O 1.251 1.151 0 CA-C-O 116.879 -1.534 . . . . 0.0 111.535 -171.828 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 60.1 m . . . . . 0 N--CA 1.477 0.887 0 CA-C-O 121.286 0.565 . . . . 0.0 112.125 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -61.11 136.24 58.01 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.861 1.664 . . . . 0.0 112.078 -178.055 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.5 p -77.39 97.35 4.9 Favored 'General case' 0 C--N 1.345 0.389 0 N-CA-C 106.557 -1.646 . . . . 0.0 106.557 169.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -74.7 129.26 37.39 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.592 1.157 . . . . 0.0 109.497 -159.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.1 t -59.78 167.23 2.21 Favored 'General case' 0 C--N 1.345 0.409 0 CA-C-O 122.901 1.334 . . . . 0.0 112.449 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 19.2 t-160 -62.8 127.51 31.58 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 112.773 -2.012 . . . . 0.0 108.118 169.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 28.3 m-90 66.1 98.44 0.05 OUTLIER 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.733 1.613 . . . . 0.0 108.71 -166.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -173.32 120.7 0.82 Allowed Glycine 0 C--N 1.34 0.778 0 N-CA-C 108.431 -1.867 . . . . 0.0 108.431 -171.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -62.09 103.45 0.37 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.107 0.963 . . . . 0.0 110.032 -176.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.5 p -89.82 -36.44 15.11 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.334 1.454 . . . . 0.0 111.161 178.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -77.4 -178.17 47.42 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 124.12 0.867 . . . . 0.0 111.338 175.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 108.04 119.98 4.42 Favored Glycine 0 C--N 1.34 0.791 0 N-CA-C 110.272 -1.131 . . . . 0.0 110.272 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 69.5 mt -76.82 80.52 0.7 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 C-N-CA 125.216 1.406 . . . . 0.0 107.248 177.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 122.65 24.69 2.07 Favored Glycine 0 N--CA 1.483 1.804 0 C-N-CA 124.153 0.883 . . . . 0.0 112.412 -175.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -66.24 160.54 24.1 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 118.743 1.272 . . . . 0.0 111.493 171.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.9 m -75.0 67.66 1.73 Allowed 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.406 1.482 . . . . 0.0 111.749 178.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 82.34 -79.87 1.84 Allowed Glycine 0 CA--C 1.532 1.094 0 C-N-CA 125.102 1.334 . . . . 0.0 113.431 167.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.5 p -76.42 120.59 21.87 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.422 1.089 . . . . 0.0 113.743 -160.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.463 ' H ' ' HD3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -103.23 -23.8 13.59 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.861 1.664 . . . . 0.0 111.711 165.91 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.4 m -68.87 93.11 0.53 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.196 1.798 . . . . 0.0 110.654 -175.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 64.0 m -59.57 144.93 46.16 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 126.597 1.959 . . . . 0.0 110.797 172.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.3 t -73.56 172.53 11.18 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.449 0.699 . . . . 0.0 110.742 -175.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 54.0 m -59.52 124.09 18.95 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.975 0.91 . . . . 0.0 110.653 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 110.5 -37.43 3.75 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 125.214 1.388 . . . . 0.0 111.784 -170.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 37.6 p -109.54 143.07 39.72 Favored 'General case' 0 C--N 1.344 0.345 0 C-N-CA 125.399 1.48 . . . . 0.0 111.675 -175.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.4 p -127.48 158.8 36.42 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.185 1.794 . . . . 0.0 109.984 168.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 46.3 t -76.69 93.95 3.73 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.503 1.521 . . . . 0.0 110.465 -170.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -90.67 131.93 36.07 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 126.791 2.036 . . . . 0.0 111.052 -175.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -76.44 135.17 39.42 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 126.03 1.732 . . . . 0.0 110.902 -177.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.7 m -123.72 -71.14 0.73 Allowed 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.039 1.336 . . . . 0.0 107.501 165.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -103.2 168.87 8.9 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.712 1.605 . . . . 0.0 110.178 164.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -56.93 -54.69 43.78 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.708 1.603 . . . . 0.0 110.692 169.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -79.13 -28.43 42.87 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.446 1.099 . . . . 0.0 112.663 -177.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -112.77 90.1 3.25 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.477 1.111 . . . . 0.0 109.589 176.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.2 t -103.92 140.81 37.18 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 107.054 -1.461 . . . . 0.0 107.054 161.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -130.49 146.28 52.0 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.54 1.136 . . . . 0.0 111.745 -170.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 94.8 m -72.84 114.64 11.21 Favored 'General case' 0 C--N 1.341 0.231 0 C-N-CA 125.62 1.568 . . . . 0.0 110.533 175.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 76.5 mt . . . . . 0 C--O 1.251 1.152 0 CA-C-O 116.776 -1.583 . . . . 0.0 110.337 -174.14 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 69.0 m . . . . . 0 N--CA 1.475 0.802 0 N-CA-C 111.325 0.12 . . . . 0.0 111.325 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -62.14 160.25 13.14 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.473 1.509 . . . . 0.0 112.819 175.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 39.3 p -86.46 100.54 12.43 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 106.361 -1.718 . . . . 0.0 106.361 162.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.414 ' HB2' ' HB2' ' A' ' 18' ' ' CYS . 2.7 tt0 -90.57 128.53 36.61 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 126.079 1.752 . . . . 0.0 108.939 -161.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.9 t -66.56 173.35 3.43 Favored 'General case' 0 C--N 1.347 0.474 0 CA-C-O 122.735 1.255 . . . . 0.0 113.26 -165.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 20.7 t-160 -57.88 126.58 28.04 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 112.768 -2.015 . . . . 0.0 108.037 166.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 25.7 m-90 64.98 96.95 0.05 OUTLIER 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.788 1.235 . . . . 0.0 109.263 -166.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -171.15 114.14 0.52 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 108.139 -1.984 . . . . 0.0 108.139 -171.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.95 105.43 1.32 Allowed 'General case' 0 C--N 1.34 0.177 0 C-N-CA 125.634 1.573 . . . . 0.0 109.204 -173.079 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.2 p -92.96 -55.82 3.21 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 126.275 1.83 . . . . 0.0 110.732 -173.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -112.46 76.47 0.23 Allowed Glycine 0 CA--C 1.531 1.054 0 C-N-CA 123.941 0.782 . . . . 0.0 112.19 -166.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -138.12 142.26 13.0 Favored Glycine 0 CA--C 1.531 1.045 0 C-N-CA 124.635 1.112 . . . . 0.0 111.24 -175.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 58.0 mt -83.16 69.31 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 C-N-CA 125.168 1.387 . . . . 0.0 108.328 -178.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 178.75 -61.55 0.08 OUTLIER Glycine 0 N--CA 1.485 1.94 0 N-CA-C 107.951 -2.06 . . . . 0.0 107.951 -173.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -67.54 125.27 25.63 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 126.051 1.741 . . . . 0.0 109.079 172.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 71.2 m -137.03 90.29 2.52 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.759 1.224 . . . . 0.0 109.677 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -168.88 -109.13 0.21 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.346 -1.102 . . . . 0.0 110.346 173.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.414 ' HB2' ' HB2' ' A' ' 4' ' ' GLN . 1.0 OUTLIER -88.83 103.87 16.39 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 126.296 1.838 . . . . 0.0 113.593 -176.153 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.47 -45.63 68.57 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.066 1.347 . . . . 0.0 110.433 163.377 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 93.0 m -59.22 104.63 0.26 Allowed 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 126.924 2.09 . . . . 0.0 112.291 -164.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.1 m -50.26 158.51 0.56 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.757 1.623 . . . . 0.0 113.243 166.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.0 t -78.0 172.01 14.14 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.316 0.647 . . . . 0.0 109.334 164.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 57.1 m -60.95 138.9 58.14 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.859 0.864 . . . . 0.0 111.688 -179.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.35 -40.19 2.55 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 124.986 1.279 . . . . 0.0 111.989 -174.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.9 p -99.52 146.67 26.13 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.396 1.478 . . . . 0.0 111.037 -176.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.6 p -128.01 148.05 50.52 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 126.402 1.881 . . . . 0.0 109.848 175.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 44.8 t -65.78 108.93 2.28 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.59 0.756 . . . . 0.0 109.217 178.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -108.75 176.78 4.98 Favored 'General case' 0 C--N 1.34 0.183 0 C-N-CA 127.494 2.317 . . . . 0.0 110.352 -178.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -127.32 134.02 50.05 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.062 1.345 . . . . 0.0 110.56 -170.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.5 m -124.58 -73.09 0.65 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.023 1.329 . . . . 0.0 107.805 166.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -103.12 168.02 9.45 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.411 1.485 . . . . 0.0 110.576 169.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -54.7 -57.08 12.91 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 126.231 1.812 . . . . 0.0 110.85 172.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -76.47 -31.07 57.56 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.987 1.315 . . . . 0.0 112.295 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -110.38 73.99 0.86 Allowed 'General case' 0 C--N 1.347 0.467 0 C-N-CA 124.404 1.081 . . . . 0.0 109.31 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.9 m -98.14 116.12 29.71 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.663 1.185 . . . . 0.0 107.83 165.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -116.87 149.44 40.06 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.138 1.375 . . . . 0.0 112.559 -163.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 52.0 t -71.22 119.83 15.92 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 126.003 1.721 . . . . 0.0 110.427 174.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.4 mt . . . . . 0 C--O 1.25 1.108 0 C-N-CA 125.011 1.324 . . . . 0.0 110.974 -170.445 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.7 t . . . . . 0 N--CA 1.474 0.756 0 CA-C-O 120.862 0.363 . . . . 0.0 111.54 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.96 129.82 41.11 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.333 1.453 . . . . 0.0 110.851 177.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 66.5 p -73.3 92.26 1.78 Allowed 'General case' 0 C--N 1.346 0.429 0 N-CA-C 107.033 -1.469 . . . . 0.0 107.033 172.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -89.89 132.52 35.25 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.882 1.673 . . . . 0.0 109.069 -160.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.5 t -63.86 173.47 1.79 Allowed 'General case' 0 C--N 1.346 0.423 0 CA-C-O 122.985 1.374 . . . . 0.0 112.854 -168.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.428 ' HA ' HG21 ' A' ' 25' ' ' THR . 18.7 t-160 -61.24 127.43 31.47 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 112.601 -2.091 . . . . 0.0 107.8 167.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 26.9 m-90 65.79 98.35 0.05 OUTLIER 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.155 1.382 . . . . 0.0 108.779 -165.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -171.51 115.06 0.56 Allowed Glycine 0 C--N 1.339 0.737 0 N-CA-C 107.551 -2.22 . . . . 0.0 107.551 -168.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -61.29 112.89 2.33 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.511 0.724 . . . . 0.0 109.442 -171.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.7 p -111.96 33.27 4.91 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.186 1.394 . . . . 0.0 111.665 -175.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 161.45 133.79 1.54 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 109.868 -1.293 . . . . 0.0 109.868 -177.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 164.8 146.13 4.65 Favored Glycine 0 CA--C 1.529 0.914 0 C-N-CA 124.985 1.279 . . . . 0.0 111.381 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 87.5 mt -72.95 97.11 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 175.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 135.77 -59.97 0.64 Allowed Glycine 0 N--CA 1.481 1.675 0 N-CA-C 109.17 -1.572 . . . . 0.0 109.17 -171.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -69.58 116.44 9.99 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.131 0.973 . . . . 0.0 109.359 177.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.3 m -136.38 85.74 2.17 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.233 1.413 . . . . 0.0 108.563 179.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -168.32 -127.86 0.95 Allowed Glycine 0 CA--C 1.531 1.052 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -70.26 99.84 1.6 Allowed 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 125.846 1.658 . . . . 0.0 114.031 -176.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.31 -21.67 42.33 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.396 1.478 . . . . 0.0 112.889 157.269 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 41.7 m -64.26 91.0 0.07 Allowed 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 126.4 1.88 . . . . 0.0 111.179 -179.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 62.4 m -64.77 146.43 54.82 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.556 1.942 . . . . 0.0 110.695 173.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.3 t -73.13 172.09 11.73 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.26 0.624 . . . . 0.0 110.762 -173.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 64.7 m -64.49 104.37 0.78 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.457 1.103 . . . . 0.0 109.695 176.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 132.29 -18.86 4.65 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 125.69 1.614 . . . . 0.0 112.978 -171.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.428 HG21 ' HA ' ' A' ' 6' ' ' HIS . 23.3 p -134.35 148.91 50.79 Favored 'General case' 0 C--N 1.344 0.329 0 C-N-CA 126.083 1.753 . . . . 0.0 111.26 -177.1 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 80.1 p -125.75 151.98 45.97 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.529 1.932 . . . . 0.0 108.606 171.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 40.8 t -69.63 110.16 4.7 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -177.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -105.17 173.77 6.16 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 126.711 2.004 . . . . 0.0 110.662 178.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -126.39 132.73 51.48 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 125.219 1.408 . . . . 0.0 110.273 -171.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 44.9 t -119.64 -75.56 0.58 Allowed 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.188 1.395 . . . . 0.0 107.718 168.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -104.02 166.16 10.59 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.986 1.714 . . . . 0.0 110.762 174.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -55.64 -51.29 67.72 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.005 1.722 . . . . 0.0 110.902 170.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -74.69 -31.79 62.0 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.622 1.169 . . . . 0.0 112.014 178.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -113.69 87.33 2.59 Favored 'General case' 0 C--N 1.345 0.411 0 C-N-CA 124.278 1.031 . . . . 0.0 110.516 -176.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.2 t -93.41 138.65 31.53 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 106.931 -1.507 . . . . 0.0 106.931 161.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -144.5 146.38 32.38 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 119.169 0.895 . . . . 0.0 113.084 -170.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 94.6 m -69.29 116.74 10.07 Favored 'General case' 0 C--N 1.345 0.372 0 C-N-CA 126.519 1.928 . . . . 0.0 111.286 175.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.3 mt . . . . . 0 C--O 1.252 1.189 0 CA-C-O 116.838 -1.553 . . . . 0.0 110.512 -176.854 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 84.1 p . . . . . 0 N--CA 1.478 0.927 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.61 151.88 27.77 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.587 1.155 . . . . 0.0 112.595 -177.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 36.6 p -82.38 98.1 8.68 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 163.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -74.27 135.57 42.64 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.347 1.459 . . . . 0.0 109.814 -164.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.1 t -65.32 173.23 2.67 Favored 'General case' 0 C--N 1.345 0.391 0 CA-C-O 122.943 1.354 . . . . 0.0 112.028 178.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 20.3 t-160 -66.21 127.26 31.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 112.822 -1.99 . . . . 0.0 108.204 171.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 28.1 m-90 66.47 97.45 0.05 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.884 1.274 . . . . 0.0 109.137 -169.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -174.38 114.31 0.5 Allowed Glycine 0 C--N 1.339 0.713 0 N-CA-C 106.902 -2.479 . . . . 0.0 106.902 -170.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -56.42 104.24 0.14 Allowed 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.317 1.047 . . . . 0.0 109.715 -177.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 24.3 p -91.84 -47.68 7.2 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.938 1.295 . . . . 0.0 110.638 -173.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -103.86 -145.14 14.3 Favored Glycine 0 CA--C 1.531 1.047 0 C-N-CA 125.042 1.305 . . . . 0.0 110.152 -179.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 84.45 136.45 3.36 Favored Glycine 0 CA--C 1.531 1.049 0 C-N-CA 124.039 0.828 . . . . 0.0 112.124 167.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 89.1 mt -67.64 124.45 23.07 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 C-N-CA 124.787 1.235 . . . . 0.0 108.977 -178.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 119.27 -47.32 1.04 Allowed Glycine 0 N--CA 1.483 1.832 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -178.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -60.38 141.76 55.85 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.949 1.3 . . . . 0.0 112.225 -172.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.4 m -136.47 84.4 2.07 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.345 1.458 . . . . 0.0 108.573 177.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -179.67 -169.38 39.92 Favored Glycine 0 CA--C 1.534 1.241 0 C-N-CA 123.6 0.619 . . . . 0.0 112.607 179.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -50.04 124.53 10.28 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 127.632 2.373 . . . . 0.0 114.37 -179.359 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.3 mtmm -93.01 -48.46 6.5 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.257 1.423 . . . . 0.0 109.549 173.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 90.1 m -59.26 103.04 0.15 Allowed 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 126.492 1.917 . . . . 0.0 111.062 -171.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.9 m -51.75 167.57 0.1 Allowed 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.805 2.042 . . . . 0.0 113.269 169.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.8 t -86.29 177.85 7.35 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.052 0.941 . . . . 0.0 109.551 168.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.1 t -60.7 136.69 58.14 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.252 1.021 . . . . 0.0 111.332 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.62 -33.51 5.13 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 124.903 1.239 . . . . 0.0 113.203 -176.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.4 p -101.47 144.61 30.04 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.711 1.605 . . . . 0.0 111.105 -176.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 81.5 p -127.7 145.41 50.91 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 127.541 2.336 . . . . 0.0 109.635 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 51.5 t -68.72 119.59 13.36 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 178.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -125.75 170.67 11.34 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 127.138 2.175 . . . . 0.0 110.776 -173.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -109.87 136.1 49.71 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 126.384 1.874 . . . . 0.0 109.432 -178.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.8 t -118.71 -74.33 0.61 Allowed 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.93 1.292 . . . . 0.0 107.895 169.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -102.66 168.26 9.37 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 126.251 1.82 . . . . 0.0 110.596 171.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -53.9 -53.78 47.86 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 126.206 1.803 . . . . 0.0 111.095 170.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -81.85 -29.26 32.61 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.043 1.337 . . . . 0.0 112.79 -177.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -115.44 104.57 11.89 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.375 1.47 . . . . 0.0 110.747 -179.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 57.2 m -115.22 115.82 27.32 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 125.93 1.692 . . . . 0.0 108.19 175.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -108.57 149.32 29.03 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.379 1.472 . . . . 0.0 113.709 -163.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 52.9 t -75.01 122.79 24.06 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.092 1.757 . . . . 0.0 110.191 171.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.9 mt . . . . . 0 C--O 1.251 1.139 0 CA-C-O 117.149 -1.405 . . . . 0.0 111.258 -166.973 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 66.5 m . . . . . 0 N--CA 1.476 0.843 0 CA-C-O 121.016 0.436 . . . . 0.0 112.066 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 p -70.62 86.08 0.64 Allowed 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 126.302 1.841 . . . . 0.0 110.276 173.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 66.5 p -52.34 108.51 0.3 Allowed 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.294 1.037 . . . . 0.0 109.599 -169.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -86.76 119.56 27.12 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 -150.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.9 t -57.02 167.09 0.88 Allowed 'General case' 0 C--N 1.347 0.469 0 CA-C-O 122.922 1.344 . . . . 0.0 112.426 -178.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 19.3 t-160 -58.79 127.7 33.5 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 112.773 -2.012 . . . . 0.0 108.408 175.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 27.6 m-90 66.38 99.61 0.05 OUTLIER 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.278 1.431 . . . . 0.0 108.26 -163.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -166.27 112.51 0.5 Allowed Glycine 0 C--N 1.341 0.842 0 N-CA-C 107.722 -2.151 . . . . 0.0 107.722 -167.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -75.05 104.1 5.49 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 -168.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.1 p -96.76 -38.55 9.84 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 127.146 2.179 . . . . 0.0 111.465 -173.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.422 ' HA3' ' H ' ' A' ' 35' ' ' SER . . . -41.14 -65.75 1.04 Allowed Glycine 0 CA--C 1.536 1.39 0 C-N-CA 127.992 2.71 . . . . 0.0 116.829 -175.302 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -42.66 127.21 4.81 Favored Glycine 0 C--N 1.345 1.056 0 C-N-CA 126.407 1.956 . . . . 0.0 115.733 -159.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 72.0 mt -74.28 87.71 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 N-CA-C 105.347 -2.094 . . . . 0.0 105.347 165.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 142.25 -49.59 0.74 Allowed Glycine 0 N--CA 1.483 1.786 0 N-CA-C 109.361 -1.495 . . . . 0.0 109.361 -164.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -63.68 123.55 19.14 Favored 'General case' 0 C--N 1.347 0.457 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 167.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.7 m -135.56 177.65 7.66 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.315 1.046 . . . . 0.0 112.088 -173.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 87.16 -79.37 1.8 Allowed Glycine 0 C--N 1.342 0.882 0 N-CA-C 109.439 -1.464 . . . . 0.0 109.439 -175.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.5 p -118.98 87.36 2.72 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 125.936 1.694 . . . . 0.0 113.448 -170.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.08 -20.76 60.89 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.222 152.639 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 84.9 m -74.35 103.52 4.76 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 126.197 1.799 . . . . 0.0 110.839 -173.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 67.2 m -64.42 154.29 36.12 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.757 2.023 . . . . 0.0 111.288 170.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.4 t -77.55 173.74 11.66 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 121.226 0.536 . . . . 0.0 110.354 -177.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.7 t -60.08 126.3 27.01 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.924 0.89 . . . . 0.0 110.679 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 106.39 -36.48 4.37 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 125.13 1.348 . . . . 0.0 112.045 -172.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 36.8 p -107.72 142.56 37.53 Favored 'General case' 0 C--N 1.344 0.357 0 C-N-CA 125.219 1.408 . . . . 0.0 111.368 -175.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.8 p -128.18 157.94 39.43 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.01 1.724 . . . . 0.0 110.296 168.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 40.9 t -74.82 91.44 2.43 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.974 1.71 . . . . 0.0 110.321 -171.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -88.22 127.85 35.45 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 126.782 2.033 . . . . 0.0 111.101 -175.39 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -81.54 135.04 35.58 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 126.257 1.823 . . . . 0.0 111.257 -171.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.3 m -121.92 -70.89 0.76 Allowed 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.327 1.451 . . . . 0.0 107.425 166.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -102.5 171.98 7.13 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.844 1.658 . . . . 0.0 110.001 166.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -58.93 -55.99 28.01 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.84 1.256 . . . . 0.0 110.441 168.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -79.76 -26.38 40.73 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.5 1.12 . . . . 0.0 112.635 -174.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -112.58 94.28 4.84 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.995 1.318 . . . . 0.0 109.341 174.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.422 ' H ' ' HA3' ' A' ' 11' ' ' GLY . 12.0 t -115.76 143.5 45.3 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 106.883 -1.525 . . . . 0.0 106.883 162.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -135.38 145.59 47.49 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.951 0.9 . . . . 0.0 111.846 -168.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 87.2 m -71.38 115.81 10.98 Favored 'General case' 0 C--N 1.341 0.224 0 C-N-CA 125.578 1.551 . . . . 0.0 110.516 176.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 78.6 mt . . . . . 0 C--O 1.251 1.18 0 C-N-CA 125.144 1.377 . . . . 0.0 110.116 -174.777 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 88.0 p . . . . . 0 N--CA 1.475 0.813 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -56.82 147.51 23.08 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.698 1.199 . . . . 0.0 111.398 171.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 64.3 p -77.71 85.57 4.02 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 106.956 -1.498 . . . . 0.0 106.956 168.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -74.6 129.81 38.4 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 126.712 2.005 . . . . 0.0 109.314 -166.085 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.8 t -67.1 174.4 3.15 Favored 'General case' 0 C--N 1.343 0.32 0 CA-C-O 122.998 1.38 . . . . 0.0 111.982 -171.12 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -64.4 125.78 25.7 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 112.581 -2.1 . . . . 0.0 108.119 170.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 27.1 m-90 66.03 97.42 0.05 OUTLIER 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.182 1.393 . . . . 0.0 108.533 -166.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -177.64 123.76 0.9 Allowed Glycine 0 C--N 1.34 0.777 0 N-CA-C 107.814 -2.115 . . . . 0.0 107.814 -165.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -69.79 151.2 46.04 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 117.001 0.4 . . . . 0.0 110.636 -171.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.0 p -143.15 -46.89 0.3 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.253 1.421 . . . . 0.0 110.511 -174.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -116.32 60.82 0.42 Allowed Glycine 0 CA--C 1.534 1.248 0 C-N-CA 124.444 1.021 . . . . 0.0 112.483 -170.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -110.08 135.54 12.94 Favored Glycine 0 C--N 1.343 0.925 0 C-N-CA 124.351 0.976 . . . . 0.0 110.946 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 52.3 mt -83.4 64.51 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 C-N-CA 124.897 1.279 . . . . 0.0 107.62 175.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 168.8 -62.24 0.19 Allowed Glycine 0 N--CA 1.486 1.989 0 N-CA-C 107.857 -2.097 . . . . 0.0 107.857 -167.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -62.86 124.29 20.68 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.758 1.623 . . . . 0.0 109.363 172.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.5 m -130.52 75.0 1.63 Allowed 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.282 1.433 . . . . 0.0 108.342 -176.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -157.79 -164.07 13.46 Favored Glycine 0 CA--C 1.532 1.127 0 C-N-CA 124.768 1.175 . . . . 0.0 111.576 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -41.56 118.35 1.06 Allowed 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 126.366 1.866 . . . . 0.0 115.939 -178.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.38 -33.23 16.13 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.548 1.939 . . . . 0.0 111.118 168.207 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 33.1 m -64.68 87.43 0.06 Allowed 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.84 2.056 . . . . 0.0 111.479 -173.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 59.9 m -56.98 146.67 26.22 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 127.123 2.169 . . . . 0.0 110.312 170.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.1 t -72.37 173.35 8.86 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.021 0.529 . . . . 0.0 110.494 -174.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.8 t -58.06 119.12 6.23 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.226 1.01 . . . . 0.0 110.657 179.175 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 107.17 -17.08 38.11 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 125.437 1.494 . . . . 0.0 113.858 -175.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 45.1 p -119.17 144.77 46.5 Favored 'General case' 0 C--N 1.344 0.358 0 C-N-CA 125.673 1.589 . . . . 0.0 111.061 -177.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 74.2 p -127.31 144.85 50.97 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 127.26 2.224 . . . . 0.0 109.343 179.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 36.3 t -68.01 101.13 1.07 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.072 0.949 . . . . 0.0 108.808 177.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -105.63 118.24 36.08 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 126.555 1.942 . . . . 0.0 109.426 -173.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -73.57 134.23 43.71 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.359 1.464 . . . . 0.0 110.133 177.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.3 t -120.55 -73.32 0.65 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.933 1.293 . . . . 0.0 107.768 169.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -102.49 168.02 9.56 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.605 1.562 . . . . 0.0 110.152 170.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -62.16 -45.72 92.18 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.169 0.988 . . . . 0.0 111.597 174.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -78.59 -34.15 47.05 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.297 1.039 . . . . 0.0 112.163 176.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -112.35 90.97 3.49 Favored 'General case' 0 C--N 1.348 0.51 0 CA-C-N 119.591 1.087 . . . . 0.0 110.135 -175.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 67.5 m -118.82 122.43 42.36 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.637 1.575 . . . . 0.0 108.467 172.146 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -129.33 147.93 51.2 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.773 1.229 . . . . 0.0 112.828 -160.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 88.3 m -70.5 119.06 14.1 Favored 'General case' 0 C--N 1.343 0.313 0 C-N-CA 125.906 1.682 . . . . 0.0 110.677 173.206 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 91.2 mt . . . . . 0 C--O 1.251 1.149 0 C-N-CA 125.763 1.625 . . . . 0.0 109.981 -173.289 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 27.7 t . . . . . 0 N--CA 1.475 0.819 0 CA-C-O 120.055 -0.021 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -69.31 174.86 4.35 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.109 1.364 . . . . 0.0 113.013 -178.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 37.5 p -98.93 118.52 35.87 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 105.351 -2.092 . . . . 0.0 105.351 156.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.68 142.33 37.23 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 -168.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.5 t -68.07 179.11 1.6 Allowed 'General case' 0 C--N 1.344 0.363 0 CA-C-O 122.637 1.208 . . . . 0.0 111.27 -178.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 21.6 t-160 -62.16 125.0 22.35 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 113.58 -1.646 . . . . 0.0 107.741 167.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 25.5 m-90 64.91 96.63 0.05 OUTLIER 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.017 1.327 . . . . 0.0 109.145 -163.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -165.79 113.84 0.56 Allowed Glycine 0 C--N 1.341 0.835 0 N-CA-C 106.878 -2.489 . . . . 0.0 106.878 -173.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -69.51 101.12 1.53 Allowed 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 124.287 1.035 . . . . 0.0 109.196 -170.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 24.0 p -93.93 -44.02 8.28 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 126.312 1.845 . . . . 0.0 112.017 -165.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -84.58 -107.41 0.62 Allowed Glycine 0 CA--C 1.532 1.14 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 -178.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 74.64 126.88 0.16 Allowed Glycine 0 CA--C 1.53 1.029 0 C-N-CA 125.264 1.412 . . . . 0.0 113.517 166.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 48.5 mt -84.15 62.08 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 C-N-CA 124.678 1.191 . . . . 0.0 107.967 173.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 178.53 -64.54 0.08 OUTLIER Glycine 0 N--CA 1.487 2.033 0 N-CA-C 108.999 -1.64 . . . . 0.0 108.999 -170.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -67.0 127.36 32.29 Favored 'General case' 0 C--N 1.344 0.367 0 C-N-CA 125.52 1.528 . . . . 0.0 109.274 176.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.1 m -135.5 78.9 1.75 Allowed 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 125.239 1.416 . . . . 0.0 108.227 178.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -154.23 -135.44 2.09 Favored Glycine 0 CA--C 1.53 0.974 0 C-N-CA 124.637 1.113 . . . . 0.0 110.398 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.2 p -74.56 117.94 16.96 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.076 1.35 . . . . 0.0 113.723 -175.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.13 -15.74 14.59 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 127.182 2.193 . . . . 0.0 113.73 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.4 m -75.85 90.21 2.92 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.644 1.178 . . . . 0.0 110.061 -173.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 61.5 m -58.08 140.81 51.86 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 126.247 1.819 . . . . 0.0 110.725 176.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.8 t -72.29 175.18 6.34 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 121.227 0.537 . . . . 0.0 111.187 -173.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.2 t -57.09 127.63 32.9 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.144 0.978 . . . . 0.0 111.096 -178.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.42 -36.67 4.12 Favored Glycine 0 CA--C 1.535 1.337 0 C-N-CA 125.063 1.316 . . . . 0.0 112.101 -171.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 60.3 p -104.48 143.63 32.77 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 125.202 1.401 . . . . 0.0 111.543 -174.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 65.8 p -125.55 153.56 43.47 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 126.518 1.927 . . . . 0.0 108.944 174.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 52.4 t -71.2 107.06 4.03 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 -178.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -105.21 179.06 4.38 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.39 1.876 . . . . 0.0 111.154 -176.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -135.57 133.82 38.74 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.582 1.553 . . . . 0.0 109.483 -175.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 73.7 m -123.7 -77.72 0.59 Allowed 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 169.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -106.03 163.0 13.11 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.911 1.684 . . . . 0.0 110.22 165.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -47.77 -60.55 2.49 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 127.339 2.255 . . . . 0.0 113.038 -176.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -74.02 -27.55 61.01 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.639 1.176 . . . . 0.0 112.25 -175.138 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -110.65 69.7 0.7 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.878 1.671 . . . . 0.0 109.653 -178.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 69.0 m -97.41 105.75 17.95 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 127.128 2.171 . . . . 0.0 106.699 172.244 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -121.94 152.73 39.37 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.531 1.133 . . . . 0.0 112.984 -156.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 91.8 m -70.44 116.61 10.98 Favored 'General case' 0 C--N 1.344 0.328 0 C-N-CA 125.552 1.541 . . . . 0.0 111.125 174.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.3 mt . . . . . 0 C--O 1.252 1.206 0 C-N-CA 125.791 1.636 . . . . 0.0 109.821 -174.179 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 80.5 p . . . . . 0 N--CA 1.475 0.778 0 N-CA-C 111.593 0.219 . . . . 0.0 111.593 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -47.86 138.03 9.18 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.399 1.88 . . . . 0.0 112.76 175.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 77.1 p -74.04 91.72 2.08 Favored 'General case' 0 C--N 1.344 0.368 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 174.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -86.4 132.76 33.87 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 126.74 2.016 . . . . 0.0 108.844 -164.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.5 t -68.87 176.86 2.85 Favored 'General case' 0 C--N 1.345 0.393 0 CA-C-O 122.917 1.341 . . . . 0.0 112.582 -166.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 20.6 t-160 -64.65 126.63 28.52 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 112.674 -2.057 . . . . 0.0 108.076 169.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 25.8 m-90 65.44 98.19 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.071 1.348 . . . . 0.0 108.903 -166.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -177.35 114.57 0.47 Allowed Glycine 0 C--N 1.339 0.718 0 N-CA-C 107.38 -2.288 . . . . 0.0 107.38 -167.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -57.25 140.46 49.77 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.357 0.663 . . . . 0.0 109.706 -179.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.7 p -135.38 -42.35 0.71 Allowed 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.231 1.412 . . . . 0.0 110.473 -169.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -101.32 -137.15 9.61 Favored Glycine 0 CA--C 1.532 1.114 0 N-CA-C 109.062 -1.615 . . . . 0.0 109.062 169.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.84 127.41 0.64 Allowed Glycine 0 CA--C 1.532 1.148 0 C-N-CA 124.209 0.909 . . . . 0.0 112.04 175.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 83.1 mt -70.78 115.15 9.95 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 C-N-CA 124.549 1.14 . . . . 0.0 108.554 178.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 126.12 -55.79 0.73 Allowed Glycine 0 N--CA 1.482 1.717 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 -177.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -65.11 122.44 17.06 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.051 1.341 . . . . 0.0 109.886 178.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 64.4 m -130.86 72.44 1.5 Allowed 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.603 1.561 . . . . 0.0 108.257 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -151.91 -168.61 16.44 Favored Glycine 0 CA--C 1.531 1.042 0 C-N-CA 125.255 1.407 . . . . 0.0 111.189 179.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -42.34 118.46 1.18 Allowed 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 116.189 1.922 . . . . 0.0 116.189 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.464 ' H ' ' HD3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -93.4 -27.85 16.49 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 127.151 2.18 . . . . 0.0 112.148 169.275 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 52.2 m -65.61 89.94 0.11 Allowed 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.073 1.749 . . . . 0.0 110.789 -176.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 62.0 m -61.62 141.1 58.01 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 126.764 2.026 . . . . 0.0 110.02 171.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.7 t -69.62 171.77 8.45 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.184 0.594 . . . . 0.0 110.432 -174.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.9 t -58.21 124.42 19.35 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.758 0.823 . . . . 0.0 110.961 -179.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 109.56 -36.51 4.27 Favored Glycine 0 CA--C 1.536 1.385 0 C-N-CA 125.259 1.409 . . . . 0.0 111.974 -171.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 49.3 p -107.51 145.7 32.77 Favored 'General case' 0 C--N 1.344 0.36 0 C-N-CA 125.423 1.489 . . . . 0.0 111.577 -174.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 81.3 p -126.08 152.36 45.95 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 126.708 2.003 . . . . 0.0 109.112 174.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 43.4 t -69.27 110.37 4.59 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 179.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -106.19 178.84 4.44 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 126.281 1.832 . . . . 0.0 111.088 -177.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -144.12 131.38 20.76 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.38 1.472 . . . . 0.0 109.289 -170.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 43.8 t -110.87 -77.32 0.59 Allowed 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 106.814 -1.55 . . . . 0.0 106.814 169.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -106.2 -179.06 3.83 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.741 1.616 . . . . 0.0 111.219 165.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -54.8 -59.19 5.07 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.922 1.689 . . . . 0.0 112.059 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -74.79 -25.63 59.19 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.523 1.529 . . . . 0.0 112.547 -172.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -110.17 86.96 2.4 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.716 1.207 . . . . 0.0 109.137 -176.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 72.8 m -116.14 107.51 14.99 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 126.359 1.863 . . . . 0.0 107.79 175.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -123.57 150.73 43.71 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.433 1.493 . . . . 0.0 112.014 -163.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 68.8 m -70.54 118.33 13.21 Favored 'General case' 0 C--N 1.344 0.345 0 C-N-CA 125.641 1.577 . . . . 0.0 110.933 174.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.0 mt . . . . . 0 C--O 1.252 1.186 0 C-N-CA 125.773 1.629 . . . . 0.0 109.965 -175.042 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 33.9 t . . . . . 0 N--CA 1.475 0.781 0 N-CA-C 110.897 -0.038 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.85 153.69 20.24 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.953 1.301 . . . . 0.0 112.0 175.194 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.3 p -78.67 90.34 4.59 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 106.925 -1.509 . . . . 0.0 106.925 166.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -84.31 134.35 34.51 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 126.426 1.891 . . . . 0.0 109.023 -167.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.4 t -65.84 172.92 3.2 Favored 'General case' 0 C--N 1.346 0.435 0 CA-C-O 122.957 1.361 . . . . 0.0 112.971 -168.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 22.2 t-160 -61.31 128.34 35.89 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 112.605 -2.088 . . . . 0.0 108.215 166.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 26.0 m-90 64.62 96.78 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.124 1.37 . . . . 0.0 108.94 -167.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -168.79 112.92 0.5 Allowed Glycine 0 C--N 1.34 0.765 0 N-CA-C 108.068 -2.013 . . . . 0.0 108.068 -168.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -63.85 108.98 1.6 Allowed 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.476 0.711 . . . . 0.0 109.142 -175.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.0 p -89.09 -52.72 4.93 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.118 1.367 . . . . 0.0 108.853 176.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -108.29 133.72 11.82 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 125.206 1.384 . . . . 0.0 109.66 174.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 167.12 131.45 1.27 Allowed Glycine 0 CA--C 1.53 1.022 0 N-CA-C 108.893 -1.683 . . . . 0.0 108.893 -178.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 69.5 mt -78.85 76.41 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 C-N-CA 124.809 1.244 . . . . 0.0 108.592 -172.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 175.21 -59.79 0.11 Allowed Glycine 0 N--CA 1.484 1.894 0 N-CA-C 108.032 -2.027 . . . . 0.0 108.032 -171.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -75.67 130.86 39.41 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.327 1.851 . . . . 0.0 109.929 177.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 71.1 m -136.93 89.87 2.48 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.481 1.512 . . . . 0.0 108.487 175.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -170.36 -133.49 1.61 Allowed Glycine 0 CA--C 1.531 1.035 0 N-CA-C 111.271 -0.731 . . . . 0.0 111.271 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -62.87 106.48 0.82 Allowed 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 126.836 2.054 . . . . 0.0 115.725 -179.727 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -80.01 -29.9 39.49 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.506 1.522 . . . . 0.0 112.083 160.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 51.1 m -63.71 92.43 0.07 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.614 1.566 . . . . 0.0 111.303 -173.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 62.3 m -64.83 144.49 57.23 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 127.229 2.212 . . . . 0.0 110.169 174.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.5 t -72.16 180.0 3.08 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.711 0.804 . . . . 0.0 111.231 -173.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.7 m -55.68 122.38 11.25 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.865 1.266 . . . . 0.0 111.018 178.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.79 8.86 69.19 Favored Glycine 0 CA--C 1.539 1.538 0 C-N-CA 125.223 1.392 . . . . 0.0 114.322 -177.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 66.2 p -137.84 142.34 40.75 Favored 'General case' 0 C--N 1.345 0.387 0 C-N-CA 125.4 1.48 . . . . 0.0 110.111 177.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 60.2 p -125.99 153.61 44.09 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 126.16 1.784 . . . . 0.0 109.308 175.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 32.4 t -68.04 101.61 1.16 Allowed 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 177.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -98.36 177.42 5.37 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 126.237 1.815 . . . . 0.0 110.345 178.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -136.12 132.48 36.13 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 125.078 1.351 . . . . 0.0 109.88 -172.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.7 m -120.88 -72.98 0.66 Allowed 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.209 1.404 . . . . 0.0 107.492 168.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -103.06 169.5 8.52 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.783 1.633 . . . . 0.0 110.3 170.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -57.19 -54.0 51.72 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.517 1.527 . . . . 0.0 110.545 168.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -74.37 -30.07 61.82 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.684 1.194 . . . . 0.0 111.822 -177.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -113.43 84.72 2.06 Favored 'General case' 0 C--N 1.346 0.413 0 C-N-CA 124.932 1.293 . . . . 0.0 109.951 179.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.0 m -114.08 115.61 27.84 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.65 1.18 . . . . 0.0 108.344 169.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -128.44 153.25 47.31 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.941 1.296 . . . . 0.0 112.641 -157.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 86.5 m -69.8 120.5 15.64 Favored 'General case' 0 C--N 1.344 0.355 0 C-N-CA 125.773 1.629 . . . . 0.0 111.108 174.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.0 mt . . . . . 0 C--O 1.251 1.136 0 C-N-CA 125.719 1.608 . . . . 0.0 109.615 -175.51 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.4 m . . . . . 0 N--CA 1.477 0.907 0 CA-C-O 121.153 0.502 . . . . 0.0 112.316 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -100.1 148.51 24.49 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.17 1.788 . . . . 0.0 110.813 -176.44 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 26.3 p -101.67 110.73 22.77 Favored 'General case' 0 C--N 1.343 0.287 0 N-CA-C 104.507 -2.405 . . . . 0.0 104.507 157.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.1 143.76 43.22 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 -159.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.1 t -64.15 174.7 1.48 Allowed 'General case' 0 C--N 1.344 0.367 0 CA-C-O 122.77 1.272 . . . . 0.0 111.588 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 21.3 t-160 -59.73 126.55 28.03 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 113.205 -1.816 . . . . 0.0 107.878 166.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 23.9 m-90 63.51 95.7 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.347 1.459 . . . . 0.0 109.036 -164.059 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -161.51 125.55 1.45 Allowed Glycine 0 C--N 1.343 0.942 0 N-CA-C 108.161 -1.976 . . . . 0.0 108.161 -174.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -69.87 97.34 1.1 Allowed 'General case' 0 C--N 1.342 0.259 0 C-N-CA 124.133 0.973 . . . . 0.0 110.64 -174.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.6 p -89.61 -22.32 22.38 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.515 1.526 . . . . 0.0 111.137 175.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -74.73 -158.61 6.41 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 125.975 1.75 . . . . 0.0 110.867 172.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.45 106.83 0.44 Allowed Glycine 0 CA--C 1.527 0.794 0 N-CA-C 110.732 -0.947 . . . . 0.0 110.732 170.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 84.7 mt -69.48 95.24 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.442 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 173.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 144.67 -65.4 0.45 Allowed Glycine 0 N--CA 1.48 1.57 0 N-CA-C 108.333 -1.907 . . . . 0.0 108.333 -171.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -87.53 76.66 8.93 Favored 'General case' 0 C--N 1.345 0.382 0 C-N-CA 123.793 0.837 . . . . 0.0 108.778 172.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 65.0 m -123.65 47.49 2.02 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.572 1.149 . . . . 0.0 109.233 168.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -86.89 -83.96 1.14 Allowed Glycine 0 C--N 1.344 1.014 0 N-CA-C 108.06 -2.016 . . . . 0.0 108.06 173.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.9 p -89.8 117.07 28.37 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 124.64 1.176 . . . . 0.0 110.522 171.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.8 -23.0 5.16 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 127.948 2.499 . . . . 0.0 111.357 179.558 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 54.1 m -70.49 92.43 0.83 Allowed 'General case' 0 C--N 1.346 0.449 0 C-N-CA 125.966 1.706 . . . . 0.0 110.057 -175.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 65.8 m -57.05 142.71 41.16 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.666 1.986 . . . . 0.0 110.758 175.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.1 t -71.87 173.51 8.19 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 122.965 0.506 . . . . 0.0 111.168 -172.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.1 t -57.16 126.2 26.14 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.951 0.9 . . . . 0.0 111.133 -178.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 104.66 -36.86 4.11 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 125.13 1.347 . . . . 0.0 111.992 -171.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 58.6 p -106.53 140.05 40.03 Favored 'General case' 0 C--N 1.343 0.324 0 C-N-CA 125.446 1.498 . . . . 0.0 111.394 -174.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 29.4 p -127.28 157.52 39.64 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.047 1.739 . . . . 0.0 109.914 169.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 42.1 t -73.61 93.32 2.03 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.388 1.475 . . . . 0.0 110.423 -172.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -88.36 135.06 33.64 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 126.871 2.068 . . . . 0.0 110.381 -179.175 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -99.56 133.88 43.24 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.674 1.59 . . . . 0.0 111.026 -171.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.5 t -117.45 -73.17 0.65 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.54 1.536 . . . . 0.0 107.59 167.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -102.52 169.76 8.46 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.921 1.689 . . . . 0.0 110.451 172.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -55.09 -56.01 24.62 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.312 1.445 . . . . 0.0 110.541 168.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -78.44 -25.87 46.08 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.399 1.08 . . . . 0.0 112.723 -175.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -112.89 93.62 4.51 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.112 1.365 . . . . 0.0 109.839 177.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.0 t -115.72 129.9 56.64 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 106.143 -1.799 . . . . 0.0 106.143 164.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -128.13 146.52 50.68 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.401 1.081 . . . . 0.0 111.954 -169.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 98.1 m -72.77 115.66 12.33 Favored 'General case' 0 C--N 1.341 0.232 0 C-N-CA 125.652 1.581 . . . . 0.0 110.374 175.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 77.8 mt . . . . . 0 C--O 1.251 1.149 0 CA-C-O 116.945 -1.503 . . . . 0.0 110.104 -174.754 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 40.5 t . . . . . 0 N--CA 1.475 0.786 0 N-CA-C 111.292 0.108 . . . . 0.0 111.292 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.14 149.16 33.57 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.357 1.063 . . . . 0.0 111.274 168.661 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 56.5 p -79.59 87.31 5.17 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 106.749 -1.575 . . . . 0.0 106.749 167.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -74.99 129.76 38.19 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 126.325 1.85 . . . . 0.0 109.933 -163.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.6 t -63.33 169.14 3.84 Favored 'General case' 0 C--N 1.344 0.36 0 CA-C-O 122.805 1.288 . . . . 0.0 112.028 -173.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.411 ' HA ' HG21 ' A' ' 25' ' ' THR . 18.7 t-160 -62.09 125.26 23.24 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 112.866 -1.97 . . . . 0.0 107.597 167.696 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 25.6 m-90 65.94 98.07 0.05 OUTLIER 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.276 1.431 . . . . 0.0 108.672 -166.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -178.66 122.55 0.81 Allowed Glycine 0 C--N 1.339 0.732 0 N-CA-C 107.522 -2.231 . . . . 0.0 107.522 -166.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -65.96 144.57 56.68 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.992 0.396 . . . . 0.0 110.0 -170.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.7 p -146.42 14.79 1.27 Allowed 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.967 1.707 . . . . 0.0 111.985 -171.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 178.6 134.17 2.05 Favored Glycine 0 CA--C 1.531 1.062 0 N-CA-C 109.549 -1.421 . . . . 0.0 109.549 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 163.62 147.51 5.09 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 125.094 1.331 . . . . 0.0 111.563 -179.082 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 53.9 mt -84.43 64.66 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 C-N-CA 124.965 1.306 . . . . 0.0 107.936 177.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 177.34 -64.06 0.09 OUTLIER Glycine 0 N--CA 1.484 1.891 0 N-CA-C 108.121 -1.992 . . . . 0.0 108.121 -171.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -70.36 122.5 19.71 Favored 'General case' 0 C--N 1.345 0.399 0 C-N-CA 125.416 1.486 . . . . 0.0 109.115 174.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.0 m -130.79 73.87 1.56 Allowed 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 125.491 1.517 . . . . 0.0 107.955 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -153.44 -162.21 10.88 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 124.837 1.208 . . . . 0.0 111.748 -176.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -45.55 117.82 1.57 Allowed 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 126.536 1.934 . . . . 0.0 114.922 -178.411 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.92 -20.79 16.61 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 126.094 1.758 . . . . 0.0 112.571 167.361 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 41.2 m -67.39 86.35 0.18 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.028 1.731 . . . . 0.0 110.53 178.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 61.5 m -57.0 145.91 28.85 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.885 2.074 . . . . 0.0 110.559 171.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.7 t -73.12 169.16 17.59 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.299 0.64 . . . . 0.0 110.22 -175.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 80.5 p -59.47 120.1 8.75 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.844 0.858 . . . . 0.0 110.597 177.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 117.82 -38.67 2.86 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 125.285 1.421 . . . . 0.0 111.484 -169.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.411 HG21 ' HA ' ' A' ' 6' ' ' HIS . 31.8 p -112.68 147.77 36.07 Favored 'General case' 0 C--N 1.345 0.389 0 C-N-CA 125.455 1.502 . . . . 0.0 112.182 -175.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 73.6 p -128.01 157.62 40.14 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 127.375 2.27 . . . . 0.0 109.522 170.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 41.1 t -77.34 106.02 8.82 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.806 0.843 . . . . 0.0 110.589 -174.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -96.07 135.1 38.31 Favored 'General case' 0 C--N 1.343 0.29 0 C-N-CA 127.317 2.247 . . . . 0.0 110.47 178.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -92.9 134.18 35.35 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.836 1.654 . . . . 0.0 109.392 175.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 68.8 m -111.39 -80.02 0.58 Allowed 'General case' 0 C--N 1.344 0.342 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 171.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -107.56 177.46 4.83 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.673 1.589 . . . . 0.0 111.916 169.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -51.42 -55.51 18.3 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.397 1.879 . . . . 0.0 112.031 179.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -77.65 -27.54 51.04 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.085 1.354 . . . . 0.0 112.669 -173.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -115.27 100.23 7.98 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.706 1.202 . . . . 0.0 111.189 -176.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.1 t -112.38 129.84 56.17 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 159.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -129.77 148.46 51.65 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.543 1.537 . . . . 0.0 111.729 -171.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 94.8 m -72.5 116.5 13.04 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.964 1.706 . . . . 0.0 110.986 175.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 94.9 mt . . . . . 0 C--O 1.252 1.192 0 C-N-CA 125.783 1.633 . . . . 0.0 110.449 -174.256 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 48.8 m . . . . . 0 N--CA 1.476 0.863 0 CA-C-O 121.476 0.655 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -58.59 164.2 2.8 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.39 1.876 . . . . 0.0 113.187 178.371 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 38.2 p -102.54 118.92 37.91 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 105.904 -1.887 . . . . 0.0 105.904 166.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.96 144.44 31.86 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 -168.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.8 t -64.79 174.81 1.69 Allowed 'General case' 0 C--N 1.344 0.336 0 CA-C-O 122.759 1.266 . . . . 0.0 111.296 175.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 22.1 t-160 -58.25 128.03 35.09 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 113.299 -1.773 . . . . 0.0 107.817 164.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 27.0 m-90 65.7 96.35 0.05 Allowed 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.177 1.391 . . . . 0.0 109.1 -165.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -166.8 120.74 0.93 Allowed Glycine 0 CA--C 1.532 1.132 0 N-CA-C 108.917 -1.673 . . . . 0.0 108.917 -172.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -74.63 111.45 9.83 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 125.355 1.462 . . . . 0.0 111.342 -172.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.4 p -90.89 -48.46 7.0 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.001 0.52 . . . . 0.0 110.505 172.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -105.5 85.87 0.47 Allowed Glycine 0 C--N 1.344 0.998 0 N-CA-C 109.529 -1.428 . . . . 0.0 109.529 -174.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -142.58 116.43 1.04 Allowed Glycine 0 CA--C 1.529 0.912 0 C-N-CA 126.251 1.882 . . . . 0.0 109.029 170.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 93.1 mt -44.78 -30.33 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.558 1.254 0 N-CA-C 116.07 1.878 . . . . 0.0 116.07 -175.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -89.04 -43.64 5.3 Favored Glycine 0 N--CA 1.488 2.126 0 CA-C-N 121.567 1.985 . . . . 0.0 110.405 175.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -56.58 117.58 4.01 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.496 1.518 . . . . 0.0 110.226 176.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.9 m -136.39 79.41 1.76 Allowed 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 125.451 1.5 . . . . 0.0 108.32 178.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -149.54 -119.94 1.01 Allowed Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.154 -1.178 . . . . 0.0 110.154 -179.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.2 p -89.64 122.25 32.59 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 125.843 1.657 . . . . 0.0 113.627 -177.324 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -91.36 -48.05 7.12 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 126.663 1.985 . . . . 0.0 111.396 175.007 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 49.6 m -62.63 99.75 0.16 Allowed 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.979 1.712 . . . . 0.0 112.092 -166.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 65.4 m -57.66 153.24 13.72 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 126.355 1.862 . . . . 0.0 111.625 173.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.8 t -75.16 175.93 7.8 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 121.283 0.563 . . . . 0.0 111.054 -177.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 56.2 m -59.46 131.97 52.58 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.095 0.958 . . . . 0.0 111.115 -179.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.6 -37.81 3.32 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 124.908 1.242 . . . . 0.0 112.111 -172.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 37.9 p -101.33 141.18 34.58 Favored 'General case' 0 C--N 1.344 0.358 0 C-N-CA 125.092 1.357 . . . . 0.0 111.143 -175.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 71.7 p -125.64 149.01 48.79 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 126.535 1.934 . . . . 0.0 108.024 170.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 36.4 t -70.25 101.14 1.83 Allowed 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 -179.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -80.42 177.68 8.82 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.866 1.666 . . . . 0.0 110.024 175.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -137.86 132.28 32.29 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.338 1.055 . . . . 0.0 110.305 -170.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 68.9 m -122.09 -70.56 0.77 Allowed 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.537 1.535 . . . . 0.0 107.331 167.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -102.85 168.98 8.87 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.035 1.734 . . . . 0.0 110.23 171.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -60.23 -48.18 82.84 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.578 1.151 . . . . 0.0 110.435 168.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -76.62 -28.06 55.96 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.834 1.254 . . . . 0.0 111.884 -176.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -114.5 86.76 2.49 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.869 1.267 . . . . 0.0 109.727 178.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.8 m -115.67 113.09 23.06 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.476 1.11 . . . . 0.0 108.253 170.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -127.56 145.17 50.95 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.235 1.414 . . . . 0.0 112.724 -158.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 80.2 m -62.36 119.2 8.63 Favored 'General case' 0 C--N 1.346 0.437 0 C-N-CA 125.997 1.719 . . . . 0.0 112.019 176.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.1 mt . . . . . 0 C--O 1.251 1.171 0 C-N-CA 126.021 1.728 . . . . 0.0 109.718 -178.02 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 71.8 m . . . . . 0 N--CA 1.476 0.831 0 N-CA-C 111.333 0.123 . . . . 0.0 111.333 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -59.37 157.95 10.2 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.333 1.453 . . . . 0.0 112.449 172.488 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.7 p -81.55 100.84 9.6 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 106.199 -1.778 . . . . 0.0 106.199 161.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -74.81 128.78 36.39 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.833 1.253 . . . . 0.0 109.221 -165.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.9 t -63.79 174.66 1.35 Allowed 'General case' 0 C--N 1.345 0.399 0 CA-C-O 122.968 1.366 . . . . 0.0 112.232 -179.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 20.4 t-160 -64.26 128.05 34.13 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 112.88 -1.964 . . . . 0.0 108.25 170.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 28.5 m-90 66.12 98.29 0.05 OUTLIER 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.367 1.467 . . . . 0.0 108.982 -167.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -171.42 115.79 0.6 Allowed Glycine 0 C--N 1.34 0.803 0 N-CA-C 108.111 -1.995 . . . . 0.0 108.111 -172.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -62.32 104.47 0.5 Allowed 'General case' 0 C--N 1.342 0.245 0 C-N-CA 124.13 0.972 . . . . 0.0 109.486 -177.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.4 p -91.39 -42.85 10.09 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 125.786 1.634 . . . . 0.0 110.594 -171.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -120.4 143.58 16.64 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 125.995 1.76 . . . . 0.0 110.506 178.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 165.06 141.55 3.16 Favored Glycine 0 CA--C 1.529 0.919 0 C-N-CA 124.607 1.099 . . . . 0.0 112.062 179.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 55.1 mt -84.85 65.92 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 C-N-CA 125.199 1.399 . . . . 0.0 107.794 176.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -178.99 -64.36 0.07 OUTLIER Glycine 0 N--CA 1.485 1.916 0 N-CA-C 108.123 -1.991 . . . . 0.0 108.123 -173.053 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -67.42 133.4 49.5 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.388 1.475 . . . . 0.0 109.35 172.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.5 m -134.47 80.4 1.85 Allowed 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 125.27 1.428 . . . . 0.0 108.284 -177.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -165.1 -157.52 9.8 Favored Glycine 0 CA--C 1.532 1.136 0 C-N-CA 124.377 0.989 . . . . 0.0 111.734 -179.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -51.39 125.3 13.96 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 127.036 2.134 . . . . 0.0 114.523 -176.315 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.3 mtmm -95.57 -44.08 7.65 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.556 1.543 . . . . 0.0 110.145 174.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 62.2 m -59.96 95.81 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.938 2.095 . . . . 0.0 111.657 -168.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 63.7 m -61.41 145.46 51.58 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 126.429 1.892 . . . . 0.0 110.685 174.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.8 t -73.65 175.92 6.7 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.596 0.759 . . . . 0.0 111.015 -173.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.3 t -58.4 118.19 5.29 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.508 1.123 . . . . 0.0 110.426 177.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 107.74 -14.74 38.13 Favored Glycine 0 CA--C 1.538 1.489 0 C-N-CA 125.433 1.492 . . . . 0.0 113.793 -175.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 40.8 p -127.86 141.44 51.56 Favored 'General case' 0 C--N 1.344 0.33 0 C-N-CA 125.779 1.632 . . . . 0.0 110.739 -178.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.8 p -127.44 157.79 39.09 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 126.157 1.783 . . . . 0.0 109.97 169.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 42.9 t -74.28 94.46 2.5 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.349 1.46 . . . . 0.0 110.31 -171.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -91.21 134.94 34.14 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 126.407 1.883 . . . . 0.0 110.516 -177.524 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -82.91 133.89 35.1 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.748 1.619 . . . . 0.0 110.035 178.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.6 m -118.73 -73.47 0.64 Allowed 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.861 1.264 . . . . 0.0 107.824 168.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -102.95 166.59 10.36 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.802 1.641 . . . . 0.0 110.552 171.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -50.57 -53.68 28.55 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.416 1.887 . . . . 0.0 111.03 169.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -79.35 -29.99 42.45 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.925 1.29 . . . . 0.0 112.591 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -112.41 92.86 4.18 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 119.521 1.055 . . . . 0.0 111.041 -174.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.72 130.38 48.1 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 162.18 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -131.01 148.81 52.8 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.805 1.242 . . . . 0.0 111.923 -173.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 91.2 m -70.71 118.78 13.94 Favored 'General case' 0 C--N 1.343 0.29 0 C-N-CA 125.821 1.648 . . . . 0.0 110.832 174.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 79.2 mt . . . . . 0 C--O 1.251 1.135 0 CA-C-O 116.912 -1.518 . . . . 0.0 110.104 -175.475 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 34.8 t . . . . . 0 N--CA 1.474 0.733 0 CA-C-O 120.003 -0.046 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -53.74 150.09 7.73 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.365 1.466 . . . . 0.0 112.033 172.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 63.6 p -77.42 83.86 3.84 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 168.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -74.99 130.52 39.5 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 126.791 2.036 . . . . 0.0 109.541 -166.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.5 t -65.28 173.85 2.36 Favored 'General case' 0 C--N 1.344 0.36 0 CA-C-O 123.073 1.416 . . . . 0.0 112.016 -173.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 20.4 t-160 -62.2 127.02 29.37 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 112.656 -2.066 . . . . 0.0 108.082 170.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 26.0 m-90 66.59 98.93 0.05 OUTLIER 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.337 1.455 . . . . 0.0 108.562 -165.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -170.4 116.38 0.64 Allowed Glycine 0 C--N 1.34 0.796 0 N-CA-C 108.015 -2.034 . . . . 0.0 108.015 -166.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -67.77 108.76 3.08 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.51 0.724 . . . . 0.0 109.511 -171.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.1 p -89.77 -30.38 18.03 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.792 1.237 . . . . 0.0 110.83 171.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -77.48 -144.16 1.98 Allowed Glycine 0 CA--C 1.533 1.189 0 C-N-CA 125.324 1.44 . . . . 0.0 111.892 176.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.36 106.99 0.34 Allowed Glycine 0 C--N 1.342 0.863 0 C-N-CA 124.444 1.021 . . . . 0.0 110.882 176.269 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 57.6 mt -80.28 68.11 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 170.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 172.53 -59.71 0.15 Allowed Glycine 0 N--CA 1.485 1.946 0 N-CA-C 107.405 -2.278 . . . . 0.0 107.405 -164.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -62.54 126.83 28.67 Favored 'General case' 0 C--N 1.345 0.379 0 C-N-CA 125.338 1.455 . . . . 0.0 108.811 167.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.4 m -135.08 83.03 1.99 Allowed 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.757 1.223 . . . . 0.0 108.568 -177.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -169.75 -139.66 2.78 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 111.126 -0.789 . . . . 0.0 111.126 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.0 117.9 5.63 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 116.272 1.953 . . . . 0.0 116.272 -173.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.485 ' H ' ' HD3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -94.67 -28.77 15.17 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 127.091 2.156 . . . . 0.0 111.718 162.535 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.0 m -67.94 90.07 0.3 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.879 1.672 . . . . 0.0 110.923 -175.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 63.2 m -60.0 150.84 27.9 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 127.481 2.312 . . . . 0.0 110.824 172.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.0 t -75.63 173.84 10.52 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.244 0.618 . . . . 0.0 110.718 -174.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 78.2 p -59.17 114.44 2.62 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.63 1.172 . . . . 0.0 110.489 177.082 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 112.36 -13.92 25.6 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 125.498 1.523 . . . . 0.0 113.649 -174.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 40.3 p -129.25 145.69 51.3 Favored 'General case' 0 C--N 1.344 0.351 0 C-N-CA 125.652 1.581 . . . . 0.0 111.405 -178.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 56.5 p -128.87 152.62 48.32 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 127.473 2.309 . . . . 0.0 109.511 174.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 18.5 t -69.39 97.24 0.96 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.874 1.27 . . . . 0.0 109.86 -179.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.58 129.22 34.94 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 126.431 1.892 . . . . 0.0 109.442 177.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -93.88 133.97 36.74 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.334 1.454 . . . . 0.0 109.822 -178.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.9 m -124.08 -73.4 0.64 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.842 1.257 . . . . 0.0 107.878 168.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -103.09 166.6 10.34 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.59 1.556 . . . . 0.0 110.396 169.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -55.52 -52.04 65.02 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.827 1.651 . . . . 0.0 110.729 170.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -76.55 -31.47 57.61 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.511 1.124 . . . . 0.0 112.253 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -112.87 86.8 2.44 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.461 1.104 . . . . 0.0 109.873 -178.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.0 m -116.9 132.43 56.7 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.912 1.285 . . . . 0.0 107.866 162.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -138.0 148.75 45.46 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.815 1.246 . . . . 0.0 111.449 -165.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 86.8 m -71.99 118.33 14.71 Favored 'General case' 0 C--N 1.342 0.269 0 C-N-CA 125.624 1.57 . . . . 0.0 111.05 176.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.1 mt . . . . . 0 C--O 1.252 1.203 0 C-N-CA 125.488 1.515 . . . . 0.0 110.251 -176.37 . . . . . . . . 0 0 . 1 stop_ save_