==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 11-DEC-07 2VJO . COMPND 2 MOLECULE: FORMYL-COENZYME A TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: OXALOBACTER FORMIGENES; . AUTHOR C.L.BERTHOLD,C.G.TOYOTA,N.G.J.RICHARDS,Y.LINDQVIST . 854 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30952.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 559 65.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 4.9 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 . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 57 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 113 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 234 27.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 2.1 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 5 4 0 8 2 4 1 3 1 3 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 6 2 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 . 2 0 4 2 2 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 . 2 2 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 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 T 0 0 113 0, 0.0 612,-0.1 0, 0.0 28,-0.0 0.000 360.0 360.0 360.0-101.3 -27.6 -62.3 -52.3 2 3 A K > - 0 0 32 1,-0.1 3,-1.8 27,-0.1 26,-0.1 -0.941 360.0-124.9-106.6 139.9 -26.6 -59.2 -50.2 3 4 A P T 3 S+ 0 0 2 0, 0.0 26,-0.2 0, 0.0 -1,-0.1 0.792 106.6 36.6 -56.3 -35.5 -23.1 -57.9 -50.9 4 5 A L T > S+ 0 0 0 24,-3.1 3,-2.1 21,-0.2 27,-0.3 0.142 77.8 140.4-109.5 19.1 -21.9 -58.1 -47.3 5 6 A D T < S+ 0 0 66 -3,-1.8 25,-0.2 23,-0.3 3,-0.1 -0.437 76.5 20.9 -54.5 124.7 -23.8 -61.2 -46.1 6 7 A G T 3 S+ 0 0 60 23,-0.6 2,-0.6 1,-0.3 -1,-0.3 0.467 88.5 128.7 88.6 1.5 -21.3 -63.1 -43.8 7 8 A I < - 0 0 11 -3,-2.1 24,-3.0 22,-0.1 2,-0.7 -0.830 49.1-149.6 -86.8 120.4 -19.1 -60.1 -43.0 8 9 A N E -a 31 0A 56 -2,-0.6 82,-3.0 22,-0.2 83,-1.9 -0.834 11.4-163.3 -95.3 116.2 -18.7 -59.8 -39.3 9 10 A V E -ab 32 91A 3 22,-3.2 24,-2.9 -2,-0.7 2,-0.8 -0.881 12.6-157.5-106.2 121.0 -18.3 -56.3 -38.0 10 11 A L E -ab 33 92A 3 81,-2.8 83,-2.4 -2,-0.6 2,-0.7 -0.872 23.3-160.8 -93.2 109.0 -16.9 -55.5 -34.6 11 12 A D E +ab 34 93A 0 22,-2.9 24,-3.3 -2,-0.8 83,-0.2 -0.813 31.3 162.3-109.8 103.4 -18.3 -52.0 -34.1 12 13 A F + 0 0 5 81,-2.9 83,-0.2 -2,-0.7 82,-0.2 0.365 40.7 132.0 -91.9 3.8 -16.7 -49.7 -31.4 13 14 A T + 0 0 2 80,-0.4 2,-0.3 5,-0.1 29,-0.1 -0.226 30.1 176.9 -78.7 145.8 -18.3 -46.6 -33.0 14 15 A H > + 0 0 42 81,-0.1 4,-0.5 28,-0.1 2,-0.3 -0.880 50.0 16.5-134.5 168.5 -20.2 -43.8 -31.3 15 16 A V T 4 S- 0 0 11 -2,-0.3 29,-0.1 1,-0.2 27,-0.0 -0.542 107.6 -53.2 68.6-125.8 -21.7 -40.5 -32.3 16 17 A A T > S+ 0 0 2 -2,-0.3 4,-2.3 3,-0.1 5,-0.2 0.787 117.6 59.3-120.5 -41.3 -22.3 -40.1 -36.1 17 18 A A H > S+ 0 0 2 2,-0.2 4,-1.5 -3,-0.2 -2,-0.1 0.972 115.5 32.1 -62.3 -60.4 -19.2 -40.7 -38.4 18 19 A G H X S+ 0 0 0 -4,-0.5 4,-2.2 1,-0.2 5,-0.2 0.902 119.7 52.8 -64.9 -46.1 -18.3 -44.3 -37.4 19 20 A P H > S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.864 105.1 55.2 -58.9 -37.2 -22.0 -45.2 -36.8 20 21 A A H X S+ 0 0 3 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.938 109.7 49.4 -55.7 -45.8 -23.0 -44.0 -40.2 21 22 A C H X S+ 0 0 0 -4,-1.5 4,-1.7 1,-0.2 -1,-0.2 0.946 114.1 41.0 -58.4 -55.8 -20.4 -46.3 -41.7 22 23 A T H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.781 112.0 56.2 -70.9 -27.8 -21.4 -49.5 -39.8 23 24 A Q H X S+ 0 0 1 -4,-2.2 4,-2.1 39,-0.2 -1,-0.2 0.947 107.7 47.7 -64.8 -47.5 -25.1 -48.9 -40.3 24 25 A M H X S+ 0 0 1 -4,-2.0 4,-1.2 1,-0.2 -2,-0.2 0.844 109.7 53.5 -64.3 -34.6 -24.7 -48.7 -44.0 25 26 A M H <>S+ 0 0 1 -4,-1.7 5,-2.5 2,-0.2 -1,-0.2 0.886 107.8 51.5 -61.4 -41.5 -22.6 -51.8 -43.9 26 27 A G H ><5S+ 0 0 5 -4,-1.8 3,-1.4 3,-0.2 -2,-0.2 0.873 104.7 56.6 -61.8 -38.9 -25.5 -53.5 -42.0 27 28 A F H 3<5S+ 0 0 1 -4,-2.1 366,-0.4 1,-0.3 -1,-0.2 0.817 105.9 50.9 -61.6 -32.3 -27.9 -52.3 -44.7 28 29 A L T 3<5S- 0 0 0 -4,-1.2 -24,-3.1 -3,-0.2 -23,-0.3 0.300 135.7 -83.8 -92.5 8.1 -25.8 -54.2 -47.3 29 30 A G T < 5S+ 0 0 18 -3,-1.4 -23,-0.6 1,-0.3 -3,-0.2 0.278 75.9 148.2 118.2 -8.9 -25.9 -57.4 -45.2 30 31 A A < - 0 0 9 -5,-2.5 2,-1.0 -25,-0.2 -1,-0.3 -0.222 49.6-125.8 -63.9 143.2 -23.1 -57.1 -42.6 31 32 A N E -a 8 0A 56 -24,-3.0 -22,-3.2 -27,-0.3 2,-0.5 -0.803 36.7-165.9 -85.2 102.0 -23.5 -58.7 -39.2 32 33 A V E -a 9 0A 2 -2,-1.0 35,-2.0 33,-0.5 2,-0.6 -0.822 16.0-171.3-103.1 122.8 -22.8 -55.7 -37.0 33 34 A I E -ac 10 67A 20 -24,-2.9 -22,-2.9 -2,-0.5 2,-0.6 -0.934 14.2-153.8-112.0 107.7 -22.0 -56.0 -33.2 34 35 A K E -ac 11 68A 0 33,-3.0 35,-2.0 -2,-0.6 2,-0.5 -0.719 1.9-151.3 -89.3 115.7 -21.9 -52.6 -31.5 35 36 A I E - c 0 69A 9 -24,-3.3 2,-0.3 -2,-0.6 35,-0.2 -0.750 23.1-178.4 -85.9 123.7 -19.8 -52.3 -28.4 36 37 A E E - c 0 70A 8 33,-2.1 35,-2.2 -2,-0.5 2,-0.1 -0.881 32.2 -96.0-124.3 154.3 -21.2 -49.7 -26.0 37 38 A R > - 0 0 170 -2,-0.3 4,-0.9 33,-0.2 35,-0.2 -0.422 51.0-100.2 -64.4 139.2 -20.2 -48.2 -22.7 38 39 A R T 4 S+ 0 0 89 33,-0.2 2,-1.2 1,-0.2 -1,-0.1 -0.414 97.8 1.0 -63.0 131.3 -21.9 -49.8 -19.7 39 40 A G T 4 S+ 0 0 64 1,-0.2 -1,-0.2 -2,-0.1 361,-0.1 -0.415 139.0 36.6 94.2 -59.4 -24.9 -47.8 -18.3 40 41 A S T 4 S- 0 0 79 -2,-1.2 -1,-0.2 1,-0.1 -2,-0.2 0.864 81.9-176.9 -92.2 -45.0 -24.9 -44.9 -20.7 41 42 A G < + 0 0 7 -4,-0.9 -1,-0.1 -3,-0.1 -3,-0.1 -0.325 55.0 3.2 70.8-161.4 -23.9 -46.4 -24.1 42 43 A D S > S- 0 0 6 1,-0.1 3,-2.0 -29,-0.1 4,-0.4 -0.334 72.8-126.8 -58.0 131.2 -23.5 -44.3 -27.2 43 44 A M G > S+ 0 0 67 1,-0.3 3,-0.8 2,-0.2 4,-0.5 0.713 103.8 70.6 -53.4 -27.7 -23.9 -40.6 -26.4 44 45 A T G 3 S+ 0 0 0 1,-0.2 15,-0.5 2,-0.2 3,-0.4 0.714 82.6 73.0 -67.4 -21.5 -26.5 -40.2 -29.2 45 46 A R G < S+ 0 0 9 -3,-2.0 11,-1.8 1,-0.2 -1,-0.2 0.878 108.7 30.7 -57.1 -43.1 -29.0 -42.2 -27.1 46 47 A G S < S+ 0 0 50 -3,-0.8 2,-0.5 -4,-0.4 3,-0.4 0.381 101.3 99.9 -99.3 0.8 -29.5 -39.3 -24.7 47 48 A W S S- 0 0 43 -4,-0.5 11,-0.4 -3,-0.4 12,-0.2 -0.807 95.3 -7.2 -95.5 123.9 -28.9 -36.5 -27.1 48 49 A L S S- 0 0 16 -2,-0.5 9,-0.4 1,-0.2 -1,-0.2 0.844 81.8-175.9 67.6 38.8 -31.9 -34.6 -28.7 49 50 A Q - 0 0 73 -3,-0.4 -1,-0.2 7,-0.2 7,-0.1 -0.394 22.8-166.8 -67.7 139.3 -34.6 -36.9 -27.3 50 51 A D S S+ 0 0 26 1,-0.3 -1,-0.1 4,-0.1 5,-0.1 0.603 82.7 40.1 -96.7 -22.2 -38.2 -36.2 -28.4 51 52 A K S > S- 0 0 134 3,-0.3 3,-2.0 4,-0.0 -1,-0.3 -0.995 98.7-107.3-130.5 124.0 -39.7 -38.5 -25.7 52 53 A P T 3 S+ 0 0 116 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.244 101.2 4.0 -55.0 130.0 -38.2 -38.5 -22.1 53 54 A N T 3 S+ 0 0 159 1,-0.2 2,-0.4 -7,-0.1 -7,-0.0 0.604 103.6 113.9 67.4 15.8 -36.2 -41.8 -21.5 54 55 A V S < S- 0 0 42 -3,-2.0 -3,-0.3 -9,-0.0 -1,-0.2 -0.940 81.7 -97.6-110.0 138.6 -36.7 -43.1 -25.0 55 56 A D - 0 0 32 -2,-0.4 -9,-0.2 1,-0.1 -10,-0.1 -0.331 50.1-115.0 -52.2 129.3 -33.6 -43.5 -27.3 56 57 A S >> - 0 0 0 -11,-1.8 4,-1.9 -12,-0.3 3,-1.6 -0.234 16.6-110.6 -68.0 157.9 -33.5 -40.3 -29.4 57 58 A L H 3> S+ 0 0 3 -9,-0.4 4,-1.8 1,-0.3 -1,-0.1 0.692 116.9 71.3 -56.4 -21.5 -33.9 -40.3 -33.2 58 59 A Y H 34 S+ 0 0 19 -11,-0.4 -1,-0.3 -14,-0.3 -13,-0.2 0.859 107.3 34.5 -60.7 -36.4 -30.2 -39.3 -33.2 59 60 A F H X> S+ 0 0 0 -3,-1.6 3,-0.9 -15,-0.5 4,-0.6 0.910 118.1 48.7 -85.6 -46.5 -29.4 -42.9 -32.1 60 61 A T H 3< S+ 0 0 4 -4,-1.9 3,-0.5 1,-0.3 4,-0.4 0.827 109.5 51.9 -69.2 -33.8 -32.1 -44.9 -34.0 61 62 A M T 3< S+ 0 0 0 -4,-1.8 -1,-0.3 1,-0.2 320,-0.2 0.568 118.6 39.2 -78.0 -9.3 -31.5 -43.2 -37.4 62 63 A F T <4 S+ 0 0 0 -3,-0.9 -39,-0.2 -4,-0.1 -2,-0.2 0.354 117.8 46.4-115.0 0.8 -27.8 -44.1 -37.0 63 64 A N >< + 0 0 0 -4,-0.6 3,-0.5 -3,-0.5 -2,-0.2 0.148 67.7 129.6-142.1 23.7 -28.0 -47.6 -35.5 64 65 A C T 3 S+ 0 0 0 -4,-0.4 332,-0.2 1,-0.2 333,-0.2 -0.351 70.7 34.1 -65.9 160.3 -30.5 -49.7 -37.3 65 66 A N T 3 S+ 0 0 28 330,-1.9 -33,-0.5 331,-0.3 2,-0.3 0.809 99.1 111.7 55.5 39.2 -29.3 -53.2 -38.4 66 67 A K < - 0 0 12 -3,-0.5 2,-0.3 330,-0.4 -1,-0.2 -0.958 58.5-139.9-135.6 153.0 -27.1 -53.6 -35.3 67 68 A R E -c 33 0A 31 -35,-2.0 -33,-3.0 -2,-0.3 2,-0.5 -0.892 23.7-137.8-109.2 147.5 -26.9 -55.7 -32.1 68 69 A S E +c 34 0A 0 -2,-0.3 335,-2.8 331,-0.2 336,-0.5 -0.920 23.2 172.2-117.2 125.6 -25.9 -54.1 -28.8 69 70 A I E -c 35 0A 0 -35,-2.0 -33,-2.1 -2,-0.5 2,-0.2 -0.996 25.0-138.6-126.6 124.9 -23.6 -55.4 -26.0 70 71 A E E +c 36 0A 37 -2,-0.4 2,-0.3 -35,-0.2 -33,-0.2 -0.598 31.3 170.9 -76.9 142.7 -22.5 -53.3 -23.0 71 72 A L - 0 0 5 -35,-2.2 2,-0.8 -2,-0.2 -33,-0.2 -0.902 36.9-144.0-159.5 125.4 -18.8 -53.7 -22.1 72 73 A D - 0 0 62 354,-1.9 3,-0.4 -2,-0.3 6,-0.2 -0.846 21.0-174.2 -81.1 114.7 -16.2 -52.1 -19.8 73 74 A M S S+ 0 0 12 -2,-0.8 -1,-0.1 1,-0.2 6,-0.1 0.571 72.0 75.8 -90.2 -11.9 -13.1 -52.4 -21.9 74 75 A K S S+ 0 0 152 4,-0.1 -1,-0.2 -3,-0.1 -2,-0.0 -0.022 84.6 85.6 -88.1 30.5 -10.8 -51.1 -19.2 75 76 A T S > S- 0 0 25 -3,-0.4 4,-2.3 351,-0.1 5,-0.2 -0.949 83.7-124.1-128.9 150.8 -11.0 -54.5 -17.4 76 77 A P H > S+ 0 0 102 0, 0.0 4,-1.0 0, 0.0 5,-0.1 0.785 114.6 51.1 -64.7 -29.5 -9.0 -57.7 -17.9 77 78 A E H > S+ 0 0 58 2,-0.2 4,-1.8 1,-0.1 5,-0.1 0.839 109.5 51.2 -73.6 -36.5 -12.2 -59.7 -18.6 78 79 A G H > S+ 0 0 0 -6,-0.2 4,-2.3 2,-0.2 -1,-0.1 0.926 107.5 51.7 -63.4 -48.5 -13.3 -57.1 -21.2 79 80 A K H X S+ 0 0 63 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.801 110.2 49.8 -60.2 -32.3 -10.0 -57.3 -23.0 80 81 A E H X S+ 0 0 97 -4,-1.0 4,-1.5 2,-0.2 -1,-0.2 0.883 109.5 49.7 -75.8 -40.9 -10.2 -61.1 -23.3 81 82 A L H X S+ 0 0 6 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.889 110.9 51.7 -60.6 -40.3 -13.8 -61.0 -24.6 82 83 A L H X S+ 0 0 1 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.934 105.4 54.5 -59.2 -48.8 -12.6 -58.4 -27.2 83 84 A E H X S+ 0 0 39 -4,-1.8 4,-1.2 1,-0.2 -1,-0.2 0.818 110.2 46.8 -57.2 -36.1 -9.8 -60.7 -28.3 84 85 A Q H X S+ 0 0 56 -4,-1.5 4,-0.7 2,-0.2 -1,-0.2 0.900 112.3 49.5 -70.6 -44.3 -12.3 -63.5 -28.9 85 86 A M H < S+ 0 0 9 -4,-2.2 3,-0.5 1,-0.2 4,-0.3 0.829 107.8 54.7 -64.4 -35.5 -14.6 -61.2 -30.8 86 87 A I H >< S+ 0 0 0 -4,-2.7 3,-1.1 1,-0.2 -1,-0.2 0.871 102.7 57.3 -62.4 -39.5 -11.6 -59.9 -32.9 87 88 A K H 3< S+ 0 0 121 -4,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.682 111.1 42.4 -69.7 -19.4 -10.8 -63.5 -34.0 88 89 A K T 3< S+ 0 0 106 -4,-0.7 -1,-0.3 -3,-0.5 2,-0.2 0.388 100.5 101.8-102.4 1.1 -14.4 -63.9 -35.4 89 90 A A < - 0 0 5 -3,-1.1 -80,-0.2 -4,-0.3 3,-0.1 -0.556 47.3-172.4 -92.0 148.1 -14.4 -60.5 -37.0 90 91 A D S S+ 0 0 22 -82,-3.0 29,-2.2 1,-0.3 2,-0.4 0.726 82.9 21.2 -97.1 -37.7 -13.8 -59.4 -40.6 91 92 A V E -bd 9 119A 0 -83,-1.9 -81,-2.8 27,-0.2 2,-0.5 -0.996 60.3-159.4-137.9 129.8 -13.8 -55.6 -39.9 92 93 A M E -bd 10 120A 0 27,-3.6 29,-2.9 -2,-0.4 2,-0.4 -0.929 17.9-169.9-100.2 130.2 -13.1 -53.6 -36.7 93 94 A V E +bd 11 121A 0 -83,-2.4 -81,-2.9 -2,-0.5 -80,-0.4 -0.986 12.0 161.5-126.2 128.7 -14.4 -50.1 -36.8 94 95 A E E - d 0 122A 10 27,-2.4 29,-1.7 -2,-0.4 -81,-0.1 -0.996 27.0-178.5-145.3 149.8 -13.7 -47.3 -34.3 95 96 A N + 0 0 23 -2,-0.3 -77,-0.1 -83,-0.2 -81,-0.1 -0.275 39.6 136.6-140.2 47.1 -13.8 -43.5 -34.0 96 97 A F - 0 0 47 1,-0.2 3,-0.1 -83,-0.0 27,-0.1 -0.259 66.6 -73.2 -71.4 175.9 -12.4 -42.9 -30.5 97 98 A G S > S- 0 0 21 1,-0.2 3,-1.7 27,-0.1 4,-0.4 -0.208 74.3 -62.5 -64.5 165.5 -9.9 -40.1 -29.9 98 99 A P T 3 S+ 0 0 21 0, 0.0 -1,-0.2 0, 0.0 36,-0.0 -0.256 120.5 1.2 -55.8 131.4 -6.4 -40.5 -31.2 99 100 A G T 3> S+ 0 0 30 -3,-0.1 4,-2.2 1,-0.1 5,-0.2 0.377 93.9 120.0 75.1 -1.7 -4.4 -43.4 -29.7 100 101 A A T <4 S+ 0 0 23 -3,-1.7 4,-0.4 1,-0.2 6,-0.1 0.869 76.3 44.2 -65.7 -42.7 -7.4 -44.5 -27.5 101 102 A L T >4>S+ 0 0 4 -4,-0.4 5,-1.6 1,-0.2 3,-0.6 0.849 112.7 56.4 -67.5 -34.8 -7.7 -48.0 -28.9 102 103 A D G >45S+ 0 0 80 1,-0.2 3,-2.0 3,-0.2 5,-0.3 0.918 102.6 52.5 -59.3 -48.4 -3.9 -48.2 -28.7 103 104 A R G 3<5S+ 0 0 188 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.565 100.3 64.2 -69.8 -10.5 -3.8 -47.4 -24.9 104 105 A M G < 5S- 0 0 30 -3,-0.6 -1,-0.3 -4,-0.4 -2,-0.2 0.313 125.0-102.7 -90.0 5.0 -6.4 -50.3 -24.4 105 106 A G T < 5S+ 0 0 43 -3,-2.0 2,-1.0 1,-0.1 -3,-0.2 0.287 92.7 115.6 91.9 -7.3 -3.7 -52.7 -25.6 106 107 A F < + 0 0 3 -5,-1.6 -3,-0.1 -6,-0.1 2,-0.1 -0.474 35.8 159.5-101.7 63.4 -5.2 -53.1 -29.1 107 108 A T >> - 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0 0 10 -5,-1.7 2,-2.7 1,-0.1 -1,-0.2 -0.467 47.7-114.4 -69.6 133.9 -11.6 -28.0 -25.9 773 346 B P + 0 0 7 0, 0.0 -63,-1.9 0, 0.0 2,-0.4 -0.359 67.7 136.7 -67.5 63.2 -13.3 -28.6 -29.3 774 347 B C E +S 709 0G 8 -2,-2.7 -65,-0.2 -65,-0.2 -7,-0.1 -0.935 25.8 172.5-111.4 135.6 -12.2 -25.2 -30.8 775 348 B G E -S 708 0G 2 -67,-2.1 -67,-3.1 -2,-0.4 2,-0.1 -0.998 28.4-113.1-145.5 148.9 -10.9 -25.0 -34.3 776 349 B P E -S 707 0G 9 0, 0.0 2,-0.8 0, 0.0 -69,-0.3 -0.452 29.4-114.6 -75.4 148.0 -9.9 -22.4 -36.9 777 350 B V - 0 0 0 -71,-2.7 2,-0.5 -73,-0.3 -71,-0.3 -0.768 37.7-144.5 -74.5 111.2 -11.6 -21.6 -40.2 778 351 B M - 0 0 19 -634,-3.4 -628,-0.4 -2,-0.8 2,-0.1 -0.720 7.8-138.3 -86.7 126.4 -9.0 -22.7 -42.7 779 352 B S > - 0 0 6 -2,-0.5 4,-2.1 1,-0.1 5,-0.2 -0.394 20.8-116.1 -76.7 157.6 -8.8 -20.6 -45.8 780 353 B M H > S+ 0 0 0 -530,-0.4 4,-1.9 1,-0.2 5,-0.1 0.821 118.0 54.6 -61.6 -32.4 -8.4 -22.2 -49.3 781 354 B K H > S+ 0 0 92 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.910 109.0 46.6 -64.5 -47.4 -5.0 -20.4 -49.5 782 355 B E H 4 S+ 0 0 54 1,-0.2 4,-0.4 2,-0.2 -2,-0.2 0.868 114.5 47.8 -62.4 -39.4 -3.8 -21.9 -46.2 783 356 B L H >< S+ 0 0 1 -4,-2.1 3,-0.5 1,-0.2 -2,-0.2 0.851 105.3 56.9 -72.6 -37.7 -5.0 -25.4 -47.2 784 357 B A H 3< S+ 0 0 0 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.805 120.3 29.8 -61.4 -31.8 -3.4 -25.4 -50.7 785 358 B H T 3< S+ 0 0 90 -4,-1.0 -1,-0.2 -3,-0.1 -2,-0.2 0.228 85.1 131.7-119.2 9.2 0.1 -24.8 -49.2 786 359 B D <> - 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0 0 34 -4,-1.9 -1,-0.2 2,-0.0 -2,-0.1 -0.130 53.3 -60.7 102.9 148.8 2.8 -27.6 -65.8 805 378 B N - 0 0 68 -2,-0.1 2,-0.3 -4,-0.1 -6,-0.2 -0.322 55.8-178.3 -65.3 143.7 2.5 -29.0 -62.3 806 379 B H E -T 798 0H 7 -8,-1.1 -8,-2.8 -318,-0.1 2,-0.2 -0.914 25.0-111.4-136.7 164.6 -0.7 -28.5 -60.4 807 380 B L E +T 797 0H 20 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.586 36.6 167.9 -90.2 159.2 -2.2 -29.4 -57.0 808 381 B T E -T 796 0H 0 -12,-1.3 -12,-2.6 -2,-0.2 2,-0.5 -0.965 40.8 -94.6-155.9 168.7 -5.0 -31.9 -56.4 809 382 B V E -T 795 0H 0 -2,-0.3 -14,-0.2 -320,-0.3 -15,-0.1 -0.822 43.2-157.2 -87.9 128.4 -6.8 -33.8 -53.6 810 383 B G - 0 0 0 -16,-2.7 -16,-0.1 -2,-0.5 -1,-0.1 0.045 45.0 -43.0 -83.3-161.4 -5.3 -37.3 -53.2 811 384 B A - 0 0 3 -18,-0.3 -1,-0.2 1,-0.1 -610,-0.0 -0.565 45.6-156.6 -69.1 124.6 -6.9 -40.4 -51.6 812 385 B P S S+ 0 0 0 0, 0.0 -614,-0.7 0, 0.0 2,-0.4 0.475 77.0 74.2 -84.4 -3.2 -8.7 -39.4 -48.4 813 386 B F E S-F 197 0A 2 -616,-0.2 2,-0.5 -612,-0.1 -616,-0.2 -0.942 74.5-150.5-107.4 132.7 -8.4 -43.0 -47.1 814 387 B K E -F 196 0A 54 -618,-3.0 -618,-2.2 -2,-0.4 2,-0.3 -0.907 10.1-160.0-110.4 131.5 -5.0 -44.0 -45.9 815 388 B F E -F 195 0A 22 3,-0.6 -620,-0.2 -2,-0.5 3,-0.1 -0.845 21.7-144.0-116.1 145.4 -3.9 -47.6 -46.1 816 389 B S S S+ 0 0 67 -622,-1.7 -1,-0.1 -2,-0.3 -621,-0.1 0.792 100.7 46.4 -72.1 -27.6 -1.1 -49.5 -44.2 817 390 B G S S+ 0 0 41 -623,-0.3 2,-0.3 1,-0.1 -1,-0.2 0.575 117.3 11.3 -99.0 -12.6 -0.3 -51.6 -47.3 818 391 B F - 0 0 21 -3,-0.1 -3,-0.6 -388,-0.0 -1,-0.1 -0.987 51.3-143.3-158.2 167.6 -0.1 -49.1 -50.1 819 392 B Q - 0 0 161 -2,-0.3 -5,-0.1 -5,-0.1 -26,-0.0 -0.998 33.2-110.0-135.6 135.2 0.0 -45.5 -51.3 820 393 B P - 0 0 40 0, 0.0 2,-0.5 0, 0.0 -364,-0.1 -0.270 19.2-148.6 -61.3 147.3 -1.6 -44.1 -54.4 821 394 B E - 0 0 134 -366,-0.3 2,-0.6 2,-0.0 -364,-0.1 -0.942 14.9-153.1-120.0 107.5 0.6 -42.9 -57.3 822 395 B I - 0 0 30 -2,-0.5 -23,-0.4 -25,-0.1 2,-0.3 -0.709 12.0-170.0 -93.9 116.0 -1.1 -40.0 -59.1 823 396 B T - 0 0 81 -2,-0.6 -330,-1.9 1,-0.1 -329,-0.2 -0.794 32.1 -85.1-109.7 145.9 -0.3 -39.5 -62.8 824 397 B R - 0 0 45 -25,-0.6 -330,-0.3 -2,-0.3 -331,-0.3 0.028 47.2 -97.8 -52.5 151.1 -1.2 -36.5 -65.0 825 398 B A - 0 0 0 -333,-0.2 -333,-0.2 1,-0.1 -1,-0.1 -0.373 46.4-105.0 -68.6 143.8 -4.5 -36.2 -66.8 826 399 B P - 0 0 0 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.315 22.5-117.9 -76.8 151.5 -4.6 -37.3 -70.5 827 400 B L > - 0 0 64 1,-0.1 3,-2.3 -331,-0.1 4,-0.3 -0.474 58.3 -72.7 -71.4 156.9 -4.7 -35.0 -73.5 828 401 B L T 3 S- 0 0 43 1,-0.3 -1,-0.1 -2,-0.1 -330,-0.1 -0.365 117.4 -7.7 -61.0 124.8 -7.8 -35.5 -75.6 829 402 B G T > S+ 0 0 14 -2,-0.1 3,-1.3 1,-0.1 4,-0.4 0.650 89.0 145.5 61.2 19.4 -7.6 -38.8 -77.5 830 403 B E T < S+ 0 0 70 -3,-2.3 4,-0.2 1,-0.3 -333,-0.1 0.785 76.9 32.4 -53.7 -31.7 -4.0 -39.2 -76.3 831 404 B H T 3> S+ 0 0 28 -335,-2.2 4,-3.2 -4,-0.3 5,-0.3 0.282 83.1 113.2-113.9 8.3 -4.4 -42.9 -76.0 832 405 B T H <> S+ 0 0 4 -3,-1.3 4,-2.6 -336,-0.4 5,-0.2 0.907 85.2 39.2 -47.0 -58.3 -6.9 -43.7 -78.8 833 406 B D H > S+ 0 0 66 -4,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.890 116.5 52.0 -61.2 -42.1 -4.4 -45.7 -81.0 834 407 B E H > S+ 0 0 101 1,-0.2 4,-0.9 2,-0.2 -2,-0.2 0.882 113.1 44.7 -61.8 -41.5 -2.9 -47.3 -77.9 835 408 B V H X S+ 0 0 1 -4,-3.2 4,-0.5 2,-0.2 -2,-0.2 0.876 112.9 50.9 -69.6 -41.1 -6.4 -48.4 -76.8 836 409 B L H ><>S+ 0 0 1 -4,-2.6 5,-1.1 -5,-0.3 3,-0.7 0.848 106.9 54.2 -67.7 -36.0 -7.4 -49.6 -80.3 837 410 B K H ><5S+ 0 0 103 -4,-2.4 3,-1.6 1,-0.2 -1,-0.2 0.784 99.2 63.0 -65.4 -30.2 -4.2 -51.7 -80.6 838 411 B E H 3<5S+ 0 0 101 -4,-0.9 -1,-0.2 1,-0.3 -2,-0.2 0.712 96.6 58.2 -69.0 -21.6 -5.1 -53.4 -77.3 839 412 B L T <<5S- 0 0 32 -3,-0.7 -1,-0.3 -4,-0.5 -2,-0.2 0.258 125.2-105.8 -88.8 8.5 -8.2 -54.8 -79.0 840 413 B G T < 5 + 0 0 69 -3,-1.6 2,-0.4 1,-0.2 -3,-0.2 0.801 66.0 156.2 73.2 33.9 -5.9 -56.4 -81.6 841 414 B L < - 0 0 28 -5,-1.1 -1,-0.2 1,-0.1 -2,-0.1 -0.799 37.0-127.6 -97.9 131.7 -6.6 -53.9 -84.5 842 415 B D > - 0 0 102 -2,-0.4 4,-1.8 1,-0.1 3,-0.3 -0.184 28.4-101.8 -71.6 165.0 -4.1 -53.5 -87.3 843 416 B D H > S+ 0 0 107 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.758 121.8 53.3 -59.8 -29.4 -2.7 -50.1 -88.4 844 417 B A H > S+ 0 0 70 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.879 106.7 50.7 -73.4 -40.5 -5.0 -50.1 -91.5 845 418 B K H > S+ 0 0 54 -3,-0.3 4,-1.5 1,-0.2 -2,-0.2 0.870 111.1 50.7 -63.0 -38.8 -8.1 -50.6 -89.3 846 419 B I H X S+ 0 0 5 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.920 109.4 48.3 -65.3 -46.9 -7.0 -47.7 -87.1 847 420 B K H X S+ 0 0 155 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.772 108.3 55.5 -68.3 -27.2 -6.5 -45.3 -90.0 848 421 B E H X S+ 0 0 89 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.863 107.6 49.8 -67.7 -40.2 -9.9 -46.2 -91.5 849 422 B L H <>S+ 0 0 2 -4,-1.5 5,-2.7 2,-0.2 6,-1.1 0.872 111.2 48.0 -67.3 -40.1 -11.5 -45.3 -88.1 850 423 B H H ><5S+ 0 0 72 -4,-1.9 3,-0.8 3,-0.2 -2,-0.2 0.911 114.4 46.5 -64.5 -45.0 -9.7 -41.9 -88.0 851 424 B A H 3<5S+ 0 0 81 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.862 111.5 50.1 -66.0 -39.3 -10.7 -41.2 -91.7 852 425 B K T 3<5S- 0 0 108 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.463 113.5-123.4 -78.3 -3.0 -14.3 -42.2 -91.1 853 426 B Q T < 5S+ 0 0 117 -3,-0.8 -3,-0.2 -4,-0.2 -2,-0.1 0.882 76.1 125.0 60.3 43.4 -14.2 -39.9 -88.0 854 427 B V < 0 0 1 -5,-2.7 -354,-2.5 -6,-0.1 -4,-0.2 0.755 360.0 360.0 -91.1 -37.1 -15.2 -42.6 -85.5 855 428 B V 0 0 7 -6,-1.1 -357,-0.3 -356,-0.2 -5,-0.2 0.385 360.0 360.0-118.5 360.0 -12.1 -41.8 -83.4