==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 25-AUG-11 3TK7 . COMPND 2 MOLECULE: TRANSALDOLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: FRANCISELLA TULARENSIS SUBSP. TULARENS . AUTHOR S.H.LIGHT,G.MINASOV,A.S.HALAVATY,L.SHUVALOVA,L.PAPAZISI,W.F. . 637 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27699.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 484 76.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 70 11.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 33 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 68 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 282 44.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 2 0 0 4 4 4 0 2 0 2 2 0 2 0 0 0 2 0 0 0 0 2 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 6 4 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 2 A Q 0 0 205 0, 0.0 259,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 -36.1 -50.0 3.8 52.4 2 3 A K - 0 0 126 1,-0.1 0, 0.0 2,-0.1 0, 0.0 -0.365 360.0-102.7 -65.9 147.3 -47.4 1.2 51.3 3 4 A S > - 0 0 20 1,-0.1 4,-2.1 256,-0.1 256,-0.3 -0.284 24.4-116.6 -67.5 156.4 -44.3 2.6 49.7 4 5 A V H > S+ 0 0 0 254,-2.8 4,-2.9 251,-0.8 5,-0.2 0.894 116.7 58.4 -60.8 -35.8 -43.9 2.4 45.9 5 6 A L H > S+ 0 0 1 250,-2.0 4,-1.8 253,-0.3 -1,-0.2 0.933 106.4 45.1 -59.0 -48.7 -40.9 0.1 46.6 6 7 A E H > S+ 0 0 78 249,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.880 114.4 49.4 -67.1 -34.7 -42.9 -2.4 48.6 7 8 A Q H >X S+ 0 0 29 -4,-2.1 3,-1.3 1,-0.2 4,-0.6 0.925 108.3 52.7 -66.5 -44.8 -45.7 -2.4 46.0 8 9 A L H >X S+ 0 0 1 -4,-2.9 4,-2.1 1,-0.3 3,-1.3 0.876 101.2 62.8 -58.0 -38.5 -43.2 -2.9 43.2 9 10 A K H 3< S+ 0 0 48 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.741 96.9 57.3 -60.2 -25.8 -41.8 -5.9 45.0 10 11 A Q H << S+ 0 0 133 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.721 120.5 26.5 -79.2 -21.3 -45.1 -7.8 44.8 11 12 A V H << S+ 0 0 58 -3,-1.3 2,-0.3 -4,-0.6 -2,-0.2 0.522 125.2 37.7-117.4 -11.1 -45.3 -7.6 41.0 12 13 A T S < S- 0 0 7 -4,-2.1 2,-0.8 -5,-0.2 232,-0.2 -0.998 81.6-111.2-144.4 140.6 -41.6 -7.3 39.9 13 14 A M E -a 244 0A 42 230,-2.6 232,-2.1 229,-0.4 2,-0.5 -0.660 39.2-142.6 -72.2 112.4 -38.3 -8.9 41.1 14 15 A V E -a 245 0A 1 -2,-0.8 16,-2.9 230,-0.2 17,-0.8 -0.692 21.5-175.3 -83.3 126.8 -36.5 -5.9 42.6 15 16 A V E -ab 246 31A 0 230,-2.5 232,-2.9 -2,-0.5 2,-0.5 -0.953 20.7-131.4-124.3 136.2 -32.8 -5.9 42.0 16 17 A A E -ab 247 32A 1 15,-2.1 17,-2.7 -2,-0.4 2,-0.9 -0.798 11.7-149.8 -92.8 131.5 -30.2 -3.4 43.3 17 18 A D E + b 0 33A 28 230,-2.6 2,-0.3 -2,-0.5 17,-0.2 -0.819 54.5 93.3-104.2 91.7 -27.7 -1.9 40.8 18 19 A T - 0 0 12 15,-1.8 21,-0.1 -2,-0.9 -2,-0.1 -0.958 62.8-142.1-172.1 156.5 -24.5 -1.2 42.7 19 20 A G S S+ 0 0 2 19,-0.3 2,-1.1 -2,-0.3 3,-0.1 0.420 83.9 91.5-100.8 -5.0 -21.1 -2.4 43.8 20 21 A D > - 0 0 4 1,-0.2 3,-1.7 2,-0.0 4,-0.4 -0.744 56.5-172.3 -97.7 95.7 -21.5 -0.8 47.2 21 22 A F G >> S+ 0 0 25 -2,-1.1 3,-1.0 1,-0.3 4,-0.9 0.716 76.0 71.7 -58.7 -25.9 -23.0 -3.5 49.4 22 23 A E G 34 S+ 0 0 117 1,-0.2 4,-0.3 2,-0.2 -1,-0.3 0.782 97.1 50.5 -64.8 -24.4 -23.5 -1.1 52.3 23 24 A L G <4 S+ 0 0 58 -3,-1.7 -1,-0.2 1,-0.1 4,-0.2 0.606 101.3 67.4 -87.9 -11.9 -26.3 0.6 50.5 24 25 A I T X> S+ 0 0 0 -3,-1.0 3,-2.3 -4,-0.4 4,-0.8 0.941 82.1 64.4 -75.8 -50.1 -28.2 -2.6 49.6 25 26 A K G >< S+ 0 0 132 -4,-0.9 3,-1.6 1,-0.3 -1,-0.1 0.846 95.2 59.0 -49.7 -47.3 -29.5 -4.1 52.8 26 27 A K G 34 S+ 0 0 110 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.657 108.3 46.6 -58.6 -18.2 -31.9 -1.3 53.7 27 28 A Y G <4 S- 0 0 7 -3,-2.3 -1,-0.3 -4,-0.2 -2,-0.2 0.571 95.0-146.1 -98.3 -11.7 -33.8 -1.8 50.4 28 29 A K << - 0 0 143 -3,-1.6 -14,-0.1 -4,-0.8 -3,-0.1 0.908 25.9-177.8 45.3 57.0 -34.0 -5.6 50.7 29 30 A P - 0 0 8 0, 0.0 63,-0.5 0, 0.0 64,-0.3 -0.400 29.8-133.1 -75.3 162.4 -33.7 -6.4 47.0 30 31 A V S S+ 0 0 68 -16,-2.9 63,-1.7 61,-0.1 62,-0.3 0.969 85.0 7.9 -77.3 -58.5 -33.9 -10.0 45.8 31 32 A D E -b 15 0A 10 -17,-0.8 -15,-2.1 62,-0.2 2,-0.3 -0.571 69.3-145.9-113.2 175.4 -30.9 -9.9 43.5 32 33 A A E -bc 16 95A 1 62,-2.5 64,-1.7 -17,-0.3 2,-0.4 -0.982 4.4-151.3-142.7 154.5 -28.1 -7.3 42.7 33 34 A T E -bc 17 96A 1 -17,-2.7 -15,-1.8 -2,-0.3 2,-0.3 -0.975 9.4-176.2-127.3 141.2 -26.1 -6.3 39.7 34 35 A T - 0 0 0 62,-1.3 -15,-0.1 -2,-0.4 100,-0.0 -0.821 3.3-174.5-121.5 165.5 -22.6 -4.9 39.3 35 36 A N > - 0 0 18 -2,-0.3 4,-2.2 62,-0.1 3,-0.2 -0.916 45.2 -90.5-149.0 171.7 -20.9 -3.8 36.1 36 37 A P H > S+ 0 0 15 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.827 125.5 49.8 -60.8 -30.3 -17.3 -2.6 35.4 37 38 A S H > S+ 0 0 37 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.861 111.3 49.0 -73.6 -36.2 -18.2 1.1 36.0 38 39 A L H > S+ 0 0 33 -3,-0.2 4,-2.2 2,-0.2 -19,-0.3 0.851 111.0 50.0 -70.7 -34.9 -19.9 0.3 39.3 39 40 A I H X S+ 0 0 4 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.936 111.4 48.7 -68.0 -46.0 -16.9 -1.8 40.5 40 41 A L H X S+ 0 0 7 -4,-2.0 4,-1.8 -5,-0.2 -2,-0.2 0.950 110.8 51.3 -57.9 -47.9 -14.5 1.0 39.6 41 42 A K H < S+ 0 0 131 -4,-2.4 4,-0.4 1,-0.2 3,-0.4 0.943 112.2 46.3 -53.5 -49.7 -16.8 3.5 41.5 42 43 A A H >< S+ 0 0 2 -4,-2.2 3,-1.9 1,-0.2 6,-0.3 0.927 107.8 56.2 -59.9 -47.4 -16.7 1.2 44.6 43 44 A V H 3< S+ 0 0 10 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.821 106.6 51.3 -54.6 -35.2 -13.0 0.7 44.4 44 45 A K T 3< S+ 0 0 119 -4,-1.8 2,-0.4 -3,-0.4 -1,-0.3 0.474 84.0 106.7 -85.0 -3.3 -12.4 4.4 44.6 45 46 A E S X S- 0 0 50 -3,-1.9 3,-2.0 -4,-0.4 4,-0.1 -0.644 72.9-135.3 -77.7 130.7 -14.6 4.9 47.6 46 47 A Q G > S+ 0 0 155 -2,-0.4 3,-2.0 1,-0.3 4,-0.3 0.829 100.9 67.2 -56.1 -34.0 -12.5 5.6 50.7 47 48 A K G 3 S+ 0 0 99 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.728 104.7 44.1 -62.0 -20.9 -14.5 3.2 52.8 48 49 A Y G <> S+ 0 0 7 -3,-2.0 4,-1.4 -6,-0.3 -1,-0.3 0.201 78.0 110.7-106.6 15.3 -13.1 0.3 50.6 49 50 A S H <> S+ 0 0 44 -3,-2.0 4,-1.5 1,-0.2 3,-0.3 0.930 82.9 43.4 -54.1 -47.1 -9.5 1.4 50.5 50 51 A N H > S+ 0 0 130 -4,-0.3 4,-2.8 1,-0.2 5,-0.3 0.932 105.3 59.4 -66.6 -48.9 -8.4 -1.5 52.7 51 52 A L H > S+ 0 0 28 1,-0.2 4,-1.5 -4,-0.2 -1,-0.2 0.801 108.2 49.3 -50.3 -33.1 -10.4 -4.3 51.0 52 53 A V H X S+ 0 0 12 -4,-1.4 4,-2.0 -3,-0.3 -1,-0.2 0.909 111.4 46.0 -73.4 -45.9 -8.6 -3.4 47.8 53 54 A A H X S+ 0 0 53 -4,-1.5 4,-1.9 1,-0.2 -2,-0.2 0.827 111.9 54.3 -65.0 -32.9 -5.1 -3.5 49.4 54 55 A E H X S+ 0 0 123 -4,-2.8 4,-2.8 2,-0.2 -1,-0.2 0.900 107.6 48.6 -65.5 -44.8 -6.0 -6.8 51.1 55 56 A T H X S+ 0 0 7 -4,-1.5 4,-2.4 -5,-0.3 5,-0.4 0.895 109.9 52.6 -64.4 -39.9 -7.0 -8.3 47.8 56 57 A I H X S+ 0 0 6 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.894 113.7 43.4 -62.3 -41.8 -3.7 -7.2 46.3 57 58 A S H X S+ 0 0 79 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.889 114.4 48.8 -71.1 -42.9 -1.8 -8.8 49.1 58 59 A K H X S+ 0 0 79 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.974 117.4 39.6 -62.0 -56.0 -3.8 -12.0 49.2 59 60 A V H X S+ 0 0 4 -4,-2.4 4,-0.8 1,-0.2 -2,-0.2 0.924 116.7 51.6 -60.0 -44.7 -3.6 -12.7 45.4 60 61 A K H < S+ 0 0 88 -4,-1.8 -1,-0.2 -5,-0.4 3,-0.2 0.830 112.9 45.0 -62.8 -34.3 0.1 -11.5 45.3 61 62 A A H < S+ 0 0 73 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.810 113.9 48.6 -79.7 -31.8 1.0 -13.8 48.2 62 63 A N H < S+ 0 0 107 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.460 117.5 41.8 -86.3 -4.2 -0.8 -16.8 46.7 63 64 A N >< + 0 0 51 -4,-0.8 3,-1.5 -3,-0.2 -1,-0.2 -0.366 61.3 152.2-139.6 58.7 0.7 -16.4 43.2 64 65 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.715 74.5 54.9 -63.9 -18.8 4.4 -15.5 43.7 65 66 A D T 3 S+ 0 0 161 -3,-0.1 2,-0.2 2,-0.0 -2,-0.0 0.414 79.0 110.9 -96.9 0.2 5.2 -17.1 40.3 66 67 A L S < S- 0 0 62 -3,-1.5 -3,-0.1 -6,-0.1 5,-0.0 -0.562 72.4-116.8 -77.6 137.6 2.8 -15.1 38.0 67 68 A N > - 0 0 89 -2,-0.2 4,-2.1 1,-0.1 3,-0.3 -0.312 38.0 -99.6 -64.1 159.4 4.4 -12.6 35.6 68 69 A S H > S+ 0 0 69 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.819 121.3 50.9 -56.2 -38.3 3.3 -9.0 36.4 69 70 A D H > S+ 0 0 107 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.906 112.0 46.9 -66.3 -43.7 0.6 -8.8 33.7 70 71 A D H > S+ 0 0 67 -3,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.839 108.7 56.3 -65.9 -34.0 -1.1 -12.1 34.8 71 72 A L H X S+ 0 0 15 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.933 107.0 49.1 -64.5 -43.3 -0.9 -10.9 38.5 72 73 A V H X S+ 0 0 2 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.918 110.7 49.5 -62.7 -44.3 -2.9 -7.8 37.6 73 74 A K H X S+ 0 0 119 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.898 112.5 48.9 -61.2 -40.1 -5.6 -9.8 35.7 74 75 A E H X S+ 0 0 18 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.920 110.9 48.6 -66.4 -45.1 -5.9 -12.1 38.7 75 76 A I H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.907 109.1 54.1 -61.6 -42.2 -6.2 -9.3 41.2 76 77 A A H X S+ 0 0 8 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.883 110.2 46.0 -61.8 -39.9 -8.9 -7.6 39.0 77 78 A I H X S+ 0 0 1 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.882 111.3 52.0 -72.1 -35.8 -11.0 -10.7 38.9 78 79 A E H X S+ 0 0 2 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.884 109.0 51.1 -67.5 -37.0 -10.6 -11.3 42.7 79 80 A I H X S+ 0 0 2 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.947 109.9 49.3 -62.1 -48.7 -11.7 -7.6 43.3 80 81 A L H X S+ 0 0 14 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.922 115.9 43.3 -54.9 -47.8 -14.8 -8.2 41.1 81 82 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.870 109.0 58.0 -68.1 -38.0 -15.6 -11.4 43.0 82 83 A S H X S+ 0 0 17 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.931 108.3 45.7 -59.6 -47.1 -14.8 -9.8 46.4 83 84 A F H X S+ 0 0 2 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.917 112.1 52.3 -62.1 -41.0 -17.4 -7.1 45.9 84 85 A G H X S+ 0 0 0 -4,-1.7 4,-2.7 -5,-0.2 -2,-0.2 0.895 108.6 50.4 -61.0 -40.3 -19.9 -9.7 44.7 85 86 A I H X S+ 0 0 30 -4,-2.5 4,-1.4 2,-0.2 -1,-0.2 0.894 108.2 51.5 -65.9 -39.5 -19.3 -11.8 47.8 86 87 A K H < S+ 0 0 84 -4,-2.0 4,-0.5 1,-0.2 -1,-0.2 0.849 112.3 47.9 -64.9 -34.1 -19.9 -8.8 50.1 87 88 A I H >< S+ 0 0 0 -4,-1.7 3,-1.5 1,-0.2 4,-0.4 0.920 107.6 54.1 -71.5 -45.3 -23.2 -8.2 48.2 88 89 A L H >< S+ 0 0 2 -4,-2.7 3,-0.7 1,-0.3 -2,-0.2 0.781 98.7 65.4 -61.4 -26.6 -24.2 -11.9 48.5 89 90 A D T 3< S+ 0 0 108 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.798 108.3 38.9 -65.1 -27.8 -23.7 -11.6 52.3 90 91 A V T < S+ 0 0 41 -3,-1.5 2,-0.3 -4,-0.5 -1,-0.2 0.281 112.1 56.0-110.5 9.2 -26.6 -9.1 52.5 91 92 A I < - 0 0 10 -3,-0.7 -61,-0.1 -4,-0.4 -60,-0.1 -0.890 66.3-138.4-132.6 167.2 -29.2 -10.5 50.0 92 93 A E S S+ 0 0 170 -63,-0.5 -61,-0.1 -62,-0.3 -62,-0.1 0.591 83.1 51.5 -96.2 -20.5 -31.0 -13.8 49.5 93 94 A G S S- 0 0 12 -63,-1.7 2,-0.2 -64,-0.3 -62,-0.2 0.225 92.2 -52.1 -97.7-141.5 -30.6 -14.0 45.7 94 95 A K - 0 0 39 37,-0.0 -62,-2.5 35,-0.0 2,-0.4 -0.615 32.0-145.8-104.8 157.8 -28.1 -13.7 43.0 95 96 A V E -cd 32 131A 0 35,-2.4 37,-2.5 -2,-0.2 2,-0.5 -0.967 14.1-136.8-121.7 140.5 -25.4 -11.2 42.0 96 97 A S E -cd 33 132A 2 -64,-1.7 -62,-1.3 -2,-0.4 2,-0.4 -0.837 19.0-174.5 -96.8 130.0 -24.3 -10.4 38.5 97 98 A S E - d 0 133A 0 35,-2.6 37,-2.8 -2,-0.5 2,-0.3 -0.993 19.2-134.4-124.4 129.9 -20.5 -10.1 37.8 98 99 A E E - d 0 134A 9 -2,-0.4 37,-0.2 35,-0.2 3,-0.1 -0.667 12.4-122.3 -95.9 137.5 -19.4 -8.9 34.3 99 100 A V - 0 0 2 35,-2.4 2,-0.2 -2,-0.3 37,-0.1 -0.273 50.9 -76.1 -67.1 157.5 -16.7 -10.4 32.2 100 101 A D > - 0 0 20 1,-0.2 3,-2.1 10,-0.1 -1,-0.2 -0.419 41.9-134.6 -56.3 121.9 -13.8 -8.2 31.1 101 102 A A G > S+ 0 0 1 1,-0.3 3,-1.6 -2,-0.2 -1,-0.2 0.690 97.0 75.8 -56.9 -20.7 -15.2 -6.1 28.2 102 103 A R G 3 S+ 0 0 73 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.642 90.2 55.2 -67.8 -15.1 -12.1 -6.7 26.1 103 104 A V G X S+ 0 0 23 -3,-2.1 3,-2.1 1,-0.2 -1,-0.3 0.319 73.1 114.4 -98.2 10.5 -13.3 -10.3 25.4 104 105 A S T < S+ 0 0 4 -3,-1.6 37,-0.5 1,-0.3 34,-0.2 0.646 79.0 42.0 -56.8 -22.4 -16.6 -9.0 24.0 105 106 A F T 3 S+ 0 0 25 -3,-0.3 2,-0.4 35,-0.1 -1,-0.3 0.039 103.0 75.3-113.9 24.7 -15.9 -10.2 20.4 106 107 A N <> - 0 0 50 -3,-2.1 4,-1.6 1,-0.1 5,-0.2 -0.911 55.2-171.0-140.3 104.9 -14.3 -13.6 21.2 107 108 A S H > S+ 0 0 11 -2,-0.4 4,-2.5 2,-0.2 5,-0.2 0.903 86.9 53.0 -63.2 -43.4 -16.7 -16.3 22.3 108 109 A A H > S+ 0 0 58 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.926 113.9 40.7 -59.0 -49.1 -13.9 -18.7 23.4 109 110 A T H > S+ 0 0 48 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.732 112.2 56.4 -76.9 -19.7 -12.2 -16.2 25.7 110 111 A T H X S+ 0 0 0 -4,-1.6 4,-2.8 -7,-0.2 -2,-0.2 0.935 109.0 47.4 -69.9 -45.9 -15.6 -14.9 27.0 111 112 A I H X S+ 0 0 27 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.946 112.5 49.6 -57.7 -49.9 -16.3 -18.6 28.0 112 113 A D H X S+ 0 0 93 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.919 112.8 45.9 -55.6 -47.5 -12.9 -18.8 29.6 113 114 A Y H X S+ 0 0 37 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.931 110.3 54.0 -65.2 -43.3 -13.3 -15.6 31.6 114 115 A A H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.911 110.3 47.1 -53.4 -47.1 -16.9 -16.6 32.7 115 116 A K H X S+ 0 0 81 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.833 107.6 55.7 -67.8 -34.9 -15.5 -19.9 34.1 116 117 A R H X S+ 0 0 97 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.876 107.6 50.6 -64.5 -36.6 -12.7 -18.1 35.9 117 118 A I H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.951 111.8 46.5 -65.2 -47.0 -15.3 -15.9 37.6 118 119 A I H X S+ 0 0 13 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.921 110.7 54.0 -60.7 -41.6 -17.2 -19.0 38.6 119 120 A A H X S+ 0 0 49 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.892 108.2 48.7 -60.5 -41.9 -14.0 -20.7 39.8 120 121 A R H X S+ 0 0 65 -4,-2.1 4,-1.0 2,-0.2 -1,-0.2 0.885 111.5 49.0 -67.8 -38.3 -13.1 -17.7 42.1 121 122 A Y H <>S+ 0 0 0 -4,-2.0 5,-2.5 2,-0.2 3,-0.4 0.923 112.8 48.7 -63.5 -43.5 -16.6 -17.7 43.6 122 123 A E H ><5S+ 0 0 104 -4,-2.6 3,-1.7 1,-0.2 -2,-0.2 0.883 106.9 54.9 -64.1 -39.6 -16.4 -21.4 44.2 123 124 A S H 3<5S+ 0 0 65 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.762 107.0 53.1 -63.9 -25.2 -12.9 -21.1 45.8 124 125 A N T 3<5S- 0 0 58 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.273 123.4-105.6 -93.3 8.9 -14.5 -18.6 48.2 125 126 A G T < 5S+ 0 0 64 -3,-1.7 -3,-0.2 1,-0.3 -2,-0.1 0.630 72.5 141.8 79.3 14.1 -17.2 -21.1 49.2 126 127 A I < - 0 0 20 -5,-2.5 -1,-0.3 -6,-0.2 2,-0.1 -0.778 55.9-118.0 -91.1 128.4 -20.0 -19.4 47.3 127 128 A P > - 0 0 68 0, 0.0 3,-2.1 0, 0.0 4,-0.1 -0.421 19.8-130.0 -62.3 134.0 -22.5 -21.7 45.6 128 129 A K G > S+ 0 0 87 1,-0.3 3,-1.8 2,-0.2 -6,-0.0 0.768 102.0 70.3 -61.3 -24.8 -22.4 -21.2 41.8 129 130 A D G 3 S+ 0 0 99 1,-0.3 -1,-0.3 24,-0.1 -35,-0.0 0.634 89.4 65.0 -66.8 -12.2 -26.3 -20.8 41.6 130 131 A R G < S+ 0 0 51 -3,-2.1 -35,-2.4 -36,-0.1 2,-0.4 0.434 93.4 77.6 -88.6 1.6 -25.9 -17.5 43.4 131 132 A V E < -d 95 0A 3 -3,-1.8 2,-0.4 -37,-0.2 23,-0.3 -0.898 54.3-168.5-120.5 140.2 -24.0 -15.9 40.5 132 133 A L E -d 96 0A 2 -37,-2.5 -35,-2.6 -2,-0.4 2,-0.6 -0.994 21.1-138.2-118.3 131.0 -24.9 -14.6 37.1 133 134 A I E -de 97 155A 0 21,-1.9 23,-2.8 -2,-0.4 2,-0.4 -0.816 18.0-142.6 -90.4 122.8 -22.2 -13.9 34.5 134 135 A K E +de 98 156A 6 -37,-2.8 -35,-2.4 -2,-0.6 2,-0.4 -0.734 24.4 177.5 -91.2 132.4 -22.8 -10.6 32.7 135 136 A I E - e 0 157A 2 21,-2.3 23,-2.5 -2,-0.4 2,-0.2 -0.998 34.1-110.5-139.9 133.5 -21.9 -10.6 29.1 136 137 A A E - e 0 158A 1 -2,-0.4 2,-2.4 21,-0.2 5,-0.2 -0.455 34.0-121.9 -65.4 131.2 -22.3 -7.9 26.4 137 138 A A + 0 0 0 21,-2.9 2,-0.2 -2,-0.2 -1,-0.1 -0.263 62.7 135.7 -75.0 54.6 -24.9 -9.0 23.9 138 139 A T S > S- 0 0 5 -2,-2.4 4,-2.4 -34,-0.2 5,-0.2 -0.508 76.3 -98.5 -83.5 170.6 -22.7 -8.9 20.8 139 140 A W H > S+ 0 0 46 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.909 128.2 50.1 -56.4 -41.6 -23.2 -11.9 18.5 140 141 A E H > S+ 0 0 15 2,-0.2 4,-2.1 -36,-0.2 -1,-0.2 0.898 108.8 50.7 -65.5 -40.6 -20.1 -13.4 20.1 141 142 A G H > S+ 0 0 0 -37,-0.5 4,-2.5 -5,-0.2 -2,-0.2 0.902 111.2 48.3 -63.5 -40.0 -21.3 -12.8 23.6 142 143 A I H X S+ 0 0 8 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.899 110.1 52.1 -66.2 -40.9 -24.7 -14.5 22.8 143 144 A K H X S+ 0 0 119 -4,-2.2 4,-1.6 -5,-0.2 -2,-0.2 0.885 110.6 48.3 -62.1 -39.1 -22.8 -17.4 21.3 144 145 A A H X S+ 0 0 0 -4,-2.1 4,-2.9 1,-0.2 -2,-0.2 0.928 109.6 51.9 -67.5 -45.0 -20.7 -17.8 24.4 145 146 A A H X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 5,-0.3 0.864 103.8 59.0 -58.9 -37.5 -23.9 -17.6 26.6 146 147 A K H X S+ 0 0 82 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.949 111.0 40.5 -58.2 -47.9 -25.4 -20.4 24.5 147 148 A L H X S+ 0 0 56 -4,-1.6 4,-1.4 2,-0.2 -2,-0.2 0.931 114.5 53.1 -65.7 -44.4 -22.5 -22.7 25.4 148 149 A L H ><>S+ 0 0 0 -4,-2.9 5,-2.6 1,-0.2 3,-0.6 0.928 108.8 48.7 -57.6 -46.5 -22.4 -21.5 29.1 149 150 A Q H ><5S+ 0 0 30 -4,-3.0 3,-1.7 1,-0.3 -1,-0.2 0.849 106.1 56.7 -63.5 -36.5 -26.1 -22.2 29.6 150 151 A K H 3<5S+ 0 0 158 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.799 108.6 49.0 -65.5 -27.7 -25.7 -25.7 28.1 151 152 A E T <<5S- 0 0 98 -4,-1.4 -1,-0.3 -3,-0.6 -2,-0.2 0.215 126.1-103.1 -94.0 12.6 -23.1 -26.3 30.7 152 153 A G T < 5S+ 0 0 39 -3,-1.7 2,-0.7 1,-0.2 -3,-0.2 0.639 77.9 134.1 79.6 14.6 -25.4 -25.0 33.5 153 154 A I < - 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n 0 480C 2 -2,-0.4 2,-2.1 21,-0.2 23,-0.2 -0.423 35.6-118.8 -64.6 134.7 -18.3 -2.7 1.9 459 138 B A + 0 0 0 21,-2.6 2,-0.2 4,-0.1 -1,-0.1 -0.269 64.2 135.4 -77.6 51.5 -15.3 -3.6 4.0 460 139 B T S > S- 0 0 6 -2,-2.1 4,-2.4 -34,-0.2 5,-0.2 -0.488 75.5 -99.4 -81.7 167.6 -17.1 -5.5 6.8 461 140 B W H > S+ 0 0 36 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.912 127.5 49.5 -54.5 -42.8 -15.5 -8.7 8.0 462 141 B E H > S+ 0 0 9 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.852 108.8 51.3 -66.6 -37.5 -18.1 -10.5 5.8 463 142 B G H > S+ 0 0 0 -37,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.889 111.1 48.4 -67.0 -38.2 -17.4 -8.4 2.7 464 143 B I H X S+ 0 0 7 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.906 110.4 51.3 -67.6 -42.3 -13.6 -9.1 3.1 465 144 B K H X S+ 0 0 86 -4,-2.3 4,-1.4 -5,-0.2 -2,-0.2 0.911 111.2 48.9 -59.7 -42.7 -14.4 -12.8 3.5 466 145 B A H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.937 109.7 50.7 -62.7 -46.7 -16.4 -12.6 0.3 467 146 B A H X S+ 0 0 0 -4,-2.5 4,-3.2 1,-0.2 5,-0.3 0.856 102.7 60.7 -61.7 -36.2 -13.7 -10.8 -1.7 468 147 B K H X S+ 0 0 86 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.945 110.8 40.6 -56.0 -48.0 -11.1 -13.3 -0.6 469 148 B L H X S+ 0 0 97 -4,-1.4 4,-1.0 2,-0.2 -2,-0.2 0.864 113.7 53.3 -68.9 -38.1 -13.2 -16.0 -2.4 470 149 B L H ><>S+ 0 0 0 -4,-2.3 5,-2.6 1,-0.2 3,-0.6 0.919 106.5 52.4 -64.5 -42.0 -14.0 -13.8 -5.4 471 150 B Q H ><5S+ 0 0 35 -4,-3.2 3,-1.8 1,-0.3 -1,-0.2 0.895 105.5 55.4 -60.7 -38.7 -10.3 -13.0 -6.0 472 151 B K H 3<5S+ 0 0 164 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.797 106.2 51.7 -66.0 -24.5 -9.6 -16.7 -6.0 473 152 B E T <<5S- 0 0 110 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.311 127.0-102.1 -92.4 9.5 -12.2 -17.0 -8.8 474 153 B G T < 5S+ 0 0 29 -3,-1.8 2,-0.6 1,-0.2 -3,-0.2 0.688 79.6 134.0 81.3 20.3 -10.5 -14.2 -10.7 475 154 B I < - 0 0 11 -5,-2.6 2,-0.3 -8,-0.1 -1,-0.2 -0.916 48.5-140.9-108.2 115.6 -12.9 -11.5 -9.8 476 155 B N - 0 0 42 -2,-0.6 -21,-2.2 -23,-0.4 2,-0.3 -0.567 19.4-157.6 -79.3 136.8 -11.2 -8.2 -8.8 477 156 B C E -n 455 0C 0 -2,-0.3 21,-1.8 -23,-0.3 2,-0.6 -0.858 19.3-148.6-121.3 151.2 -12.8 -6.3 -6.0 478 157 B N E -no 456 498C 0 -23,-2.4 -21,-2.1 -2,-0.3 2,-0.6 -0.962 21.5-150.3-115.1 102.0 -12.8 -2.7 -4.7 479 158 B L E -no 457 499C 0 19,-2.4 21,-3.0 -2,-0.6 3,-0.2 -0.701 26.0-175.0 -80.6 116.5 -13.1 -2.8 -0.9 480 159 B T E +n 458 0C 0 -23,-2.5 -21,-2.6 -2,-0.6 -1,-0.0 -0.478 48.9 47.0-111.9 177.0 -14.9 0.3 0.1 481 160 B L E + 0 0 0 19,-0.3 2,-0.6 1,-0.2 -1,-0.2 0.916 68.9 167.6 54.9 47.5 -16.0 2.2 3.3 482 161 B I E + o 0 501C 0 18,-1.2 20,-2.3 -3,-0.2 -1,-0.2 -0.844 12.4 154.2 -96.2 118.4 -12.6 1.7 4.8 483 162 B F + 0 0 1 -2,-0.6 2,-0.3 18,-0.2 130,-0.2 0.330 56.1 48.8-126.1 2.5 -12.1 3.9 7.9 484 163 B D S >> S- 0 0 17 129,-0.1 4,-1.6 1,-0.1 3,-0.5 -0.993 76.1-120.5-147.5 150.7 -9.5 2.0 9.9 485 164 B K H 3> S+ 0 0 113 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.809 109.5 64.9 -59.8 -30.7 -6.1 0.4 9.4 486 165 B A H 3> S+ 0 0 2 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.885 102.7 46.6 -61.8 -44.2 -7.5 -3.0 10.6 487 166 B Q H <> S+ 0 0 0 -3,-0.5 4,-2.8 2,-0.2 -1,-0.2 0.928 112.6 50.7 -58.6 -48.8 -9.9 -3.2 7.6 488 167 B A H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.910 111.0 48.2 -58.0 -43.5 -7.0 -2.2 5.3 489 168 B K H X S+ 0 0 34 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.948 112.9 46.7 -64.4 -49.2 -4.8 -4.9 6.8 490 169 B A H X S+ 0 0 5 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.877 111.2 53.7 -60.4 -38.8 -7.4 -7.6 6.5 491 170 B C H <>S+ 0 0 0 -4,-2.8 5,-1.8 1,-0.2 3,-0.4 0.945 109.9 46.4 -60.6 -47.4 -8.2 -6.5 3.0 492 171 B A H ><5S+ 0 0 8 -4,-2.3 3,-1.6 1,-0.2 -2,-0.2 0.889 109.8 54.2 -62.3 -40.2 -4.5 -6.8 1.9 493 172 B E H 3<5S+ 0 0 30 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.784 103.5 56.7 -65.0 -27.6 -4.3 -10.2 3.6 494 173 B A T 3<5S- 0 0 11 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.379 116.0-117.2 -83.2 1.5 -7.3 -11.4 1.6 495 174 B G T < 5 + 0 0 45 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.815 48.2 179.0 65.3 33.9 -5.4 -10.5 -1.6 496 175 B V < - 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0 0 41 -4,-1.2 4,-2.4 -3,-0.4 5,-0.2 -0.788 65.9-175.3 -92.4 95.1 -12.3 3.2 16.6 611 293 B A H > S+ 0 0 29 -2,-1.1 4,-2.2 1,-0.2 -1,-0.2 0.918 82.9 50.2 -57.4 -46.5 -15.6 5.0 17.4 612 294 B M H > S+ 0 0 18 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.938 111.1 48.0 -57.2 -50.2 -15.5 7.0 14.1 613 295 B A H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 5,-0.3 0.893 111.3 48.8 -63.1 -43.6 -14.8 3.8 12.0 614 296 B T H X S+ 0 0 25 -4,-2.4 4,-1.9 -7,-0.5 -1,-0.2 0.944 116.1 45.5 -62.1 -42.8 -17.6 1.7 13.5 615 297 B H H X S+ 0 0 42 -4,-2.2 4,-2.9 -5,-0.2 -2,-0.2 0.930 114.4 44.8 -65.0 -47.1 -20.0 4.6 13.0 616 298 B K H X S+ 0 0 13 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.816 113.2 49.7 -73.8 -30.9 -19.1 5.6 9.5 617 299 B L H X S+ 0 0 18 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.937 115.2 45.0 -68.7 -46.1 -19.0 2.0 8.2 618 300 B A H X S+ 0 0 3 -4,-1.9 4,-2.2 -5,-0.3 -2,-0.2 0.930 116.4 45.8 -61.2 -47.1 -22.5 1.4 9.8 619 301 B E H X S+ 0 0 49 -4,-2.9 4,-3.3 2,-0.2 5,-0.2 0.896 109.0 55.1 -63.6 -43.2 -23.8 4.7 8.4 620 302 B G H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.893 109.7 47.1 -57.6 -43.1 -22.4 4.1 4.9 621 303 B I H X S+ 0 0 1 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.917 113.5 48.4 -65.1 -44.6 -24.2 0.8 4.7 622 304 B R H X S+ 0 0 38 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.926 113.6 47.0 -61.2 -45.7 -27.4 2.4 6.0 623 305 B L H X S+ 0 0 73 -4,-3.3 4,-2.2 2,-0.2 -2,-0.2 0.910 111.9 47.9 -66.0 -45.8 -27.1 5.3 3.5 624 306 B F H X S+ 0 0 1 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.2 0.877 112.3 52.1 -62.3 -36.6 -26.3 3.2 0.4 625 307 B T H X S+ 0 0 2 -4,-1.9 4,-2.4 -5,-0.2 -2,-0.2 0.921 107.1 51.8 -63.9 -44.8 -29.3 1.0 1.4 626 308 B K H X S+ 0 0 150 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.924 112.3 46.4 -58.4 -41.8 -31.6 4.0 1.7 627 309 B D H X S+ 0 0 34 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.836 110.3 52.4 -71.5 -31.1 -30.5 5.0 -1.9 628 310 B T H X S+ 0 0 17 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.873 110.0 49.2 -71.5 -37.0 -30.9 1.5 -3.3 629 311 B I H X S+ 0 0 65 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.899 109.6 52.0 -67.1 -39.9 -34.4 1.4 -1.9 630 312 B E H X S+ 0 0 68 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.880 107.4 52.5 -64.7 -37.5 -35.1 4.8 -3.4 631 313 B L H X S+ 0 0 14 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.925 109.8 48.9 -62.2 -45.1 -33.9 3.5 -6.8 632 314 B E H X S+ 0 0 18 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.919 109.7 51.5 -60.8 -41.4 -36.3 0.6 -6.5 633 315 B N H X S+ 0 0 78 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.890 108.4 51.2 -64.8 -36.7 -39.1 3.0 -5.6 634 316 B I H < S+ 0 0 30 -4,-2.2 -1,-0.2 1,-0.2 4,-0.2 0.874 111.2 49.7 -64.7 -37.3 -38.3 5.1 -8.7 635 317 B I H >< S+ 0 0 2 -4,-2.0 3,-1.1 2,-0.2 4,-0.2 0.895 105.1 58.5 -65.7 -42.3 -38.5 1.8 -10.7 636 318 B K H >< S+ 0 0 70 -4,-2.5 3,-1.2 1,-0.3 -2,-0.2 0.940 111.3 38.3 -52.9 -56.8 -41.8 0.8 -9.2 637 319 B Q T 3< S+ 0 0 166 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.330 119.1 48.3 -83.8 6.3 -43.7 3.9 -10.4 638 320 B N T < 0 0 96 -3,-1.1 -1,-0.2 -4,-0.2 -2,-0.2 0.160 360.0 360.0-120.4 11.4 -41.9 4.0 -13.7 639 321 B L < 0 0 84 -3,-1.2 -260,-0.1 -4,-0.2 -3,-0.1 -0.232 360.0 360.0 -74.6 360.0 -42.6 0.3 -14.3