==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 21-MAY-12 4FAC . COMPND 2 MOLECULE: SUCCINYL-COA:ACETATE COENZYME A TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ACETOBACTER ACETI; . AUTHOR E.A.MULLINS,T.J.KAPPOCK . 1008 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32739.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 688 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 144 14.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 63 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 99 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 253 25.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 2.0 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 3 3 2 8 3 5 0 2 2 0 2 1 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 7 7 11 5 1 4 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 . 10 7 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 4 2 3 0 0 0 1 2 0 1 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 0 163 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 126.8 44.8 20.7 11.5 2 3 A E - 0 0 83 1,-0.2 3,-0.1 2,-0.0 135,-0.0 -0.533 360.0-169.7 -72.0 122.5 46.8 17.6 10.9 3 4 A R S S+ 0 0 27 -2,-0.4 135,-2.9 1,-0.2 2,-1.0 0.735 76.3 67.4 -85.6 -25.3 45.2 15.5 8.2 4 5 A I B +a 138 0A 0 133,-0.2 -1,-0.2 1,-0.2 135,-0.2 -0.789 59.1 170.2 -96.8 94.8 47.5 12.4 8.8 5 6 A R + 0 0 69 133,-3.1 2,-0.8 -2,-1.0 134,-0.2 0.530 55.6 85.5 -88.4 -6.0 46.3 11.3 12.2 6 7 A N >> - 0 0 34 132,-0.3 4,-0.7 1,-0.2 3,-0.6 -0.866 67.0-159.5 -94.2 111.8 48.2 8.1 12.1 7 8 A V G >4 S+ 0 0 97 -2,-0.8 3,-1.4 1,-0.2 4,-0.5 0.895 84.6 58.1 -60.6 -44.9 51.7 8.9 13.3 8 9 A A G >4 S+ 0 0 74 1,-0.3 3,-1.0 2,-0.2 -1,-0.2 0.827 102.7 54.4 -56.0 -34.7 53.5 5.9 11.8 9 10 A L G X4 S+ 0 0 4 -3,-0.6 3,-1.9 1,-0.2 -1,-0.3 0.696 88.1 77.7 -76.9 -16.3 52.4 6.8 8.3 10 11 A R G X< S+ 0 0 104 -3,-1.4 3,-1.3 -4,-0.7 -1,-0.2 0.772 83.5 67.3 -62.8 -24.2 53.8 10.3 8.6 11 12 A S G < S+ 0 0 110 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.653 93.3 59.3 -66.1 -17.8 57.2 8.7 8.0 12 13 A K G < S+ 0 0 62 -3,-1.9 207,-2.1 -4,-0.1 -1,-0.2 0.404 75.4 120.6 -98.2 2.4 56.2 7.9 4.4 13 14 A V B < +d 219 0B 50 -3,-1.3 207,-0.2 205,-0.2 -3,-0.0 -0.485 35.5 152.0 -65.1 131.3 55.5 11.4 3.4 14 15 A C - 0 0 35 205,-2.5 207,-0.3 -2,-0.2 -2,-0.0 -0.972 46.8 -73.5-157.3 163.6 57.6 12.5 0.4 15 16 A P > - 0 0 85 0, 0.0 4,-2.1 0, 0.0 3,-0.2 -0.224 40.6-117.8 -63.7 153.8 57.6 14.9 -2.5 16 17 A A H > S+ 0 0 19 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.911 112.6 56.6 -54.4 -48.1 55.4 14.2 -5.6 17 18 A E H > S+ 0 0 129 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.895 110.6 44.2 -51.6 -45.1 58.4 13.9 -7.9 18 19 A T H 4 S+ 0 0 66 1,-0.2 3,-0.4 2,-0.2 4,-0.3 0.855 110.9 52.6 -71.6 -39.3 59.9 11.2 -5.8 19 20 A A H >< S+ 0 0 0 -4,-2.1 3,-2.1 1,-0.2 4,-0.3 0.915 103.5 59.6 -61.3 -38.7 56.7 9.3 -5.3 20 21 A S H >< S+ 0 0 0 -4,-2.6 3,-1.7 1,-0.3 -1,-0.2 0.797 91.4 69.0 -64.5 -26.2 56.2 9.3 -9.1 21 22 A E T 3< S+ 0 0 101 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.661 84.8 70.0 -65.8 -16.5 59.5 7.4 -9.5 22 23 A L T < S+ 0 0 44 -3,-2.1 2,-0.6 -4,-0.3 -1,-0.3 0.711 84.7 82.8 -70.6 -21.2 57.8 4.4 -7.9 23 24 A I < - 0 0 1 -3,-1.7 2,-0.2 -4,-0.3 3,-0.1 -0.782 69.7-166.8 -91.7 121.0 55.8 4.1 -11.1 24 25 A K > - 0 0 141 -2,-0.6 3,-2.2 1,-0.1 37,-0.1 -0.625 31.6 -78.6-110.3 161.8 57.6 2.3 -13.9 25 26 A H T 3 S+ 0 0 95 1,-0.3 38,-0.2 -2,-0.2 -1,-0.1 -0.329 118.5 20.3 -54.8 132.6 57.2 1.8 -17.6 26 27 A G T 3 S+ 0 0 30 36,-3.4 -1,-0.3 1,-0.3 37,-0.2 0.255 90.2 146.2 89.2 -11.4 54.6 -0.9 -18.3 27 28 A D < - 0 0 18 -3,-2.2 37,-2.7 35,-0.3 2,-0.6 -0.258 48.7-133.3 -61.1 139.8 53.0 -0.6 -14.8 28 29 A V E -e 64 0B 12 99,-0.4 102,-1.9 35,-0.2 101,-1.7 -0.876 29.4-165.9 -88.8 125.4 49.2 -1.0 -14.4 29 30 A V E -ef 65 130B 2 35,-3.2 37,-2.8 -2,-0.6 2,-0.5 -0.962 12.0-163.4-123.3 117.7 48.1 1.9 -12.3 30 31 A G E -ef 66 131B 0 100,-3.0 102,-2.8 -2,-0.5 2,-0.3 -0.877 19.9-178.5 -98.5 130.5 44.7 2.1 -10.6 31 32 A T E - f 0 132B 1 35,-2.5 121,-0.3 -2,-0.5 102,-0.2 -0.875 29.5-110.9-127.7 161.0 43.6 5.6 -9.5 32 33 A S + 0 0 2 100,-1.8 119,-0.1 -2,-0.3 6,-0.1 -0.335 60.4 112.7 -73.0 166.8 40.8 7.4 -7.7 33 34 A G + 0 0 0 6,-0.2 36,-2.6 4,-0.1 35,-1.3 0.053 27.3 175.5 127.5 123.5 38.8 9.7 -9.8 34 35 A F B > S-K 37 0C 0 3,-1.7 3,-1.4 34,-0.3 282,-0.2 -0.939 71.9 -11.7-157.7 125.5 35.2 9.8 -11.0 35 36 A T T 3 S- 0 0 17 -2,-0.3 36,-0.2 1,-0.3 3,-0.1 0.862 128.3 -49.1 43.0 53.2 33.4 12.6 -13.0 36 37 A G T 3 S+ 0 0 1 34,-0.8 191,-1.8 1,-0.2 2,-0.4 0.630 117.5 108.7 72.6 13.8 36.2 15.2 -12.5 37 38 A A B < S+K 34 0C 4 -3,-1.4 -3,-1.7 33,-0.4 -1,-0.2 -0.975 71.7 2.1-131.9 132.9 36.4 14.6 -8.8 38 39 A G S S+ 0 0 0 -2,-0.4 96,-0.7 1,-0.3 109,-0.2 0.634 79.0 142.0 82.4 13.1 38.8 13.0 -6.3 39 40 A Y - 0 0 0 94,-0.1 -1,-0.3 1,-0.1 -6,-0.2 -0.605 59.6 -98.4 -82.8 148.2 41.5 12.0 -8.8 40 41 A P + 0 0 0 0, 0.0 -1,-0.1 0, 0.0 94,-0.1 -0.362 42.2 178.2 -65.1 149.2 45.2 12.3 -7.8 41 42 A K > + 0 0 0 3,-0.1 4,-1.1 34,-0.1 184,-0.0 0.755 62.4 42.4-127.2 -48.5 46.8 15.5 -9.1 42 43 A E H > S+ 0 0 53 2,-0.2 4,-2.3 1,-0.1 5,-0.2 0.903 110.9 51.5 -80.9 -44.0 50.5 16.1 -8.2 43 44 A V H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.933 110.2 50.1 -59.7 -46.5 51.9 12.7 -8.8 44 45 A P H > S+ 0 0 2 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.912 110.5 50.6 -57.9 -40.5 50.4 12.4 -12.3 45 46 A K H X S+ 0 0 66 -4,-1.1 4,-1.6 1,-0.2 -2,-0.2 0.903 113.0 45.0 -61.7 -43.3 51.9 15.9 -13.1 46 47 A A H X S+ 0 0 11 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.855 113.3 51.6 -67.3 -35.4 55.3 14.8 -11.9 47 48 A L H X S+ 0 0 3 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.910 106.0 53.6 -69.3 -43.1 55.0 11.5 -13.8 48 49 A A H X S+ 0 0 1 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.885 107.3 52.4 -57.6 -42.9 54.0 13.2 -17.0 49 50 A Q H X S+ 0 0 147 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.929 110.2 46.4 -59.0 -47.5 57.2 15.4 -16.9 50 51 A R H X S+ 0 0 65 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.836 111.4 53.6 -68.5 -32.3 59.5 12.4 -16.4 51 52 A M H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.933 108.4 48.1 -62.2 -51.0 57.7 10.6 -19.2 52 53 A E H X S+ 0 0 79 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.894 111.9 51.3 -57.0 -43.3 58.2 13.4 -21.6 53 54 A A H X S+ 0 0 51 -4,-2.1 4,-0.9 2,-0.2 -2,-0.2 0.930 110.8 47.1 -61.3 -47.8 61.9 13.6 -20.6 54 55 A A H ><>S+ 0 0 10 -4,-2.3 5,-2.7 1,-0.2 3,-0.9 0.924 111.7 51.4 -58.3 -46.7 62.4 9.9 -21.2 55 56 A H H ><5S+ 0 0 51 -4,-2.8 3,-2.2 1,-0.3 -1,-0.2 0.885 102.5 58.6 -59.6 -42.4 60.6 10.1 -24.6 56 57 A D H 3<5S+ 0 0 133 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.782 107.8 48.9 -58.5 -25.8 62.8 12.9 -25.7 57 58 A R T <<5S- 0 0 221 -4,-0.9 -1,-0.3 -3,-0.9 -2,-0.2 0.196 124.5-103.2 -99.3 13.9 65.8 10.6 -25.1 58 59 A G T < 5S+ 0 0 73 -3,-2.2 2,-0.5 1,-0.3 -3,-0.2 0.734 78.5 136.4 73.9 22.3 64.3 7.7 -27.0 59 60 A E < - 0 0 117 -5,-2.7 -1,-0.3 -6,-0.2 2,-0.2 -0.890 53.8-125.5-106.1 130.7 63.3 5.9 -23.9 60 61 A K + 0 0 162 -2,-0.5 2,-0.2 -3,-0.1 -35,-0.2 -0.515 34.9 164.4 -73.6 138.2 59.8 4.2 -23.6 61 62 A Y + 0 0 12 -2,-0.2 2,-0.3 22,-0.2 -6,-0.1 -0.706 15.2 137.4-157.0 97.2 57.7 5.2 -20.6 62 63 A Q - 0 0 48 -2,-0.2 -36,-3.4 23,-0.1 2,-0.3 -0.988 27.8-157.3-142.3 152.2 54.0 4.4 -20.6 63 64 A I E - g 0 85B 1 21,-2.6 23,-2.0 -2,-0.3 24,-1.1 -0.782 23.8-118.9-120.5 166.2 51.4 3.1 -18.2 64 65 A S E -eg 28 87B 4 -37,-2.7 -35,-3.2 -2,-0.3 2,-0.6 -0.950 35.0-155.2 -97.4 127.6 48.1 1.4 -18.2 65 66 A L E +eg 29 88B 1 22,-2.9 24,-2.2 -2,-0.5 2,-0.5 -0.917 16.4 178.1-116.7 112.6 45.7 3.7 -16.4 66 67 A I E +eg 30 89B 0 -37,-2.8 -35,-2.5 -2,-0.6 2,-0.2 -0.952 14.5 169.3-114.6 128.0 42.5 2.3 -14.8 67 68 A T - 0 0 0 22,-2.2 -35,-0.1 -2,-0.5 -34,-0.1 -0.477 48.7-104.9-122.1-171.3 40.3 4.7 -13.0 68 69 A G S S- 0 0 0 -35,-1.3 -34,-0.3 1,-0.2 -1,-0.2 0.911 89.6 -60.2 -76.8 -65.9 36.9 5.0 -11.4 69 70 A A S S- 0 0 1 -36,-2.6 22,-0.3 1,-0.4 -1,-0.2 -0.404 100.0 -3.4-143.8-125.6 35.6 7.0 -14.3 70 71 A S - 0 0 2 -2,-0.2 -34,-0.8 22,-0.1 -33,-0.4 -0.354 57.7-176.2 -76.0 154.4 36.7 10.4 -15.8 71 72 A T - 0 0 1 -36,-0.2 -35,-0.1 -35,-0.2 156,-0.1 0.295 21.4-104.9-116.3-115.6 39.4 12.4 -14.2 72 73 A G >>> - 0 0 2 -37,-0.1 5,-1.8 1,-0.1 3,-1.2 -0.939 39.6 -64.8-167.6-176.7 40.8 15.8 -15.1 73 74 A P T 34>S+ 0 0 66 0, 0.0 5,-1.7 0, 0.0 6,-0.1 0.859 122.3 55.4 -54.2 -42.2 43.5 18.0 -16.7 74 75 A Q T 345S+ 0 0 22 3,-0.2 0, 0.0 4,-0.1 0, 0.0 0.685 123.6 21.1 -70.1 -19.3 46.1 17.1 -14.1 75 76 A L T <>5S+ 0 0 2 -3,-1.2 4,-2.4 3,-0.1 5,-0.3 0.719 135.5 23.2-111.8 -80.0 45.8 13.3 -14.7 76 77 A D H X5S+ 0 0 0 -4,-0.6 4,-2.3 1,-0.2 5,-0.2 0.916 128.0 50.2 -53.1 -45.5 44.3 12.3 -18.1 77 78 A G H >S+ 0 0 1 -4,-2.4 5,-3.0 2,-0.2 6,-0.3 0.867 112.1 48.5 -69.8 -36.9 49.5 12.1 -19.2 80 81 A A H ><5S+ 0 0 1 -4,-2.3 3,-1.3 -5,-0.3 -2,-0.2 0.900 109.9 53.0 -69.2 -38.0 47.9 12.2 -22.7 81 82 A K H 3<5S+ 0 0 116 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.904 110.4 48.0 -59.5 -39.4 50.0 15.3 -23.5 82 83 A A T 3<5S- 0 0 5 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.507 109.8-126.7 -77.3 -4.9 53.0 13.3 -22.5 83 84 A N T < 5 + 0 0 55 -3,-1.3 -3,-0.2 -4,-0.2 -22,-0.2 0.900 65.1 141.1 55.2 43.1 51.9 10.4 -24.6 84 85 A G < + 0 0 0 -5,-3.0 -21,-2.6 -6,-0.1 2,-0.5 0.235 35.1 81.6-105.1 13.6 52.3 8.3 -21.5 85 86 A V E +g 63 0B 0 -6,-0.3 -21,-0.2 -23,-0.3 3,-0.1 -0.940 38.7 174.5-128.4 113.8 49.3 5.9 -21.6 86 87 A Y E S+ 0 0 83 -23,-2.0 21,-2.6 -2,-0.5 2,-0.3 0.768 79.1 21.9 -85.3 -27.1 49.3 2.7 -23.6 87 88 A F E -gh 64 107B 13 -24,-1.1 -22,-2.9 19,-0.2 2,-0.4 -0.997 67.1-171.1-143.3 138.4 46.0 1.5 -22.3 88 89 A R E -gh 65 108B 0 19,-2.9 21,-1.6 -2,-0.3 -22,-0.2 -0.987 12.9-143.4-133.1 136.6 43.0 3.4 -20.6 89 90 A S E -g 66 0B 0 -24,-2.2 -22,-2.2 -2,-0.4 21,-0.1 -0.965 47.3 -21.9-157.3 145.9 39.9 2.2 -18.9 90 91 A P S S+ 0 0 0 0, 0.0 296,-0.4 0, 0.0 2,-0.3 -0.971 105.1 1.1-118.7 2.6 37.0 2.6 -18.4 91 92 A F + 0 0 30 -22,-0.3 2,-0.3 19,-0.1 293,-0.2 -0.953 50.5 176.4-158.9 133.0 35.8 6.2 -18.9 92 93 A N + 0 0 1 291,-1.1 -22,-0.1 -2,-0.3 -4,-0.0 -0.995 18.1 172.7-139.0 141.5 37.4 9.4 -20.1 93 94 A T + 0 0 34 -2,-0.3 2,-0.3 -24,-0.1 -1,-0.1 0.298 47.6 117.7-125.6 5.1 36.2 13.0 -20.8 94 95 A D > - 0 0 27 1,-0.1 4,-2.6 -22,-0.1 5,-0.1 -0.584 59.2-143.7 -77.9 132.8 39.6 14.6 -21.3 95 96 A A H > S+ 0 0 55 -2,-0.3 4,-2.1 2,-0.2 -1,-0.1 0.851 98.0 49.3 -69.1 -33.9 40.0 16.0 -24.8 96 97 A T H > S+ 0 0 49 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.947 113.4 46.0 -71.6 -43.7 43.7 15.2 -25.2 97 98 A M H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.886 110.1 56.1 -62.1 -38.9 43.2 11.6 -24.0 98 99 A R H X S+ 0 0 44 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.927 106.4 49.6 -60.3 -42.6 40.2 11.4 -26.3 99 100 A N H X S+ 0 0 106 -4,-2.1 4,-1.4 2,-0.2 6,-0.2 0.916 109.6 51.0 -63.3 -39.9 42.5 12.4 -29.2 100 101 A R H <>S+ 0 0 52 -4,-2.1 5,-2.5 1,-0.2 6,-1.4 0.921 112.3 47.5 -61.0 -44.7 45.1 9.8 -28.3 101 102 A I H ><5S+ 0 0 2 -4,-2.5 3,-1.4 4,-0.2 -2,-0.2 0.936 112.3 47.9 -60.5 -47.7 42.4 7.2 -28.2 102 103 A N H 3<5S+ 0 0 16 -4,-2.7 882,-1.8 1,-0.3 -1,-0.2 0.661 110.9 52.0 -74.0 -15.0 40.9 8.2 -31.5 103 104 A A T 3<5S- 0 0 53 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.390 115.1-114.8 -94.4 -1.1 44.3 8.2 -33.1 104 105 A G T < 5S+ 0 0 38 -3,-1.4 -3,-0.2 -4,-0.3 3,-0.1 0.678 86.8 116.5 76.8 16.1 45.1 4.7 -31.9 105 106 A E S > - 0 0 0 1,-0.1 3,-1.6 819,-0.1 4,-0.8 -0.406 42.5-128.2 -49.2 129.3 30.3 -0.8 -17.7 113 114 A L G >4 S+ 0 0 1 273,-1.6 3,-0.8 1,-0.3 4,-0.5 0.852 105.8 54.2 -57.9 -38.1 31.3 1.2 -14.6 114 115 A G G 34 S+ 0 0 4 1,-0.2 -1,-0.3 232,-0.2 4,-0.3 0.658 110.1 48.7 -71.7 -15.5 29.6 -1.1 -12.2 115 116 A Q G <> S+ 0 0 16 -3,-1.6 4,-2.5 2,-0.1 5,-0.2 0.550 85.1 89.0 -97.8 -13.8 31.6 -4.1 -13.5 116 117 A V H S+ 0 0 0 -4,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.911 112.7 49.4 -58.9 -45.5 36.0 -3.6 -10.0 118 119 A G H > S+ 0 0 1 -4,-0.3 4,-2.3 1,-0.2 -2,-0.2 0.922 111.8 46.4 -59.6 -48.2 34.9 -7.1 -10.7 119 120 A R H X>S+ 0 0 20 -4,-2.5 5,-2.4 2,-0.2 4,-0.8 0.851 110.5 54.8 -66.1 -32.7 36.9 -7.4 -13.9 120 121 A A H ><5S+ 0 0 2 -4,-2.4 3,-0.9 -5,-0.2 -2,-0.2 0.947 109.9 45.7 -61.9 -50.5 39.9 -5.9 -12.2 121 122 A V H 3<5S+ 0 0 52 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.869 107.2 58.5 -60.2 -38.3 39.8 -8.6 -9.5 122 123 A Q H 3<5S- 0 0 29 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.709 119.7-114.2 -65.2 -20.5 39.3 -11.3 -12.2 123 124 A G T X<5S+ 0 0 37 -3,-0.9 3,-1.9 -4,-0.8 -3,-0.2 0.518 71.7 138.9 102.0 10.9 42.6 -10.1 -13.6 124 125 A N T 3 - 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0 0 7 -4,-2.6 8,-0.1 -5,-0.2 -4,-0.0 -0.338 66.0-123.5 -69.3 146.0 38.0 5.2 -41.0 982 478 B F S S+ 0 0 80 6,-0.4 2,-0.3 -605,-0.2 -1,-0.1 0.897 101.5 15.5 -48.7 -48.8 36.5 8.5 -39.7 983 479 B G - 0 0 3 3,-0.1 5,-0.4 5,-0.1 -603,-0.2 -0.900 69.3-144.3-121.8 160.7 37.8 7.6 -36.3 984 480 B K S S+ 0 0 59 -882,-1.8 -604,-0.1 -2,-0.3 -881,-0.1 0.416 83.1 83.4-104.2 0.8 40.5 4.9 -35.4 985 481 B H S S+ 0 0 8 -606,-1.0 -34,-0.5 1,-0.3 -605,-0.2 0.926 117.4 5.3 -68.1 -42.7 39.0 3.7 -32.1 986 482 B T S S- 0 0 2 -607,-1.7 -1,-0.3 -36,-0.1 -3,-0.1 -0.658 94.0-147.1-139.2 76.4 36.6 1.3 -33.8 987 483 B P + 0 0 0 0, 0.0 2,-0.3 0, 0.0 -9,-0.2 -0.198 25.7 166.2 -59.3 126.5 37.6 1.6 -37.5 988 484 B H - 0 0 11 -5,-0.4 2,-0.6 -11,-0.3 -6,-0.4 -0.964 36.2-147.0-132.4 156.3 34.8 1.1 -40.0 989 485 B L >> - 0 0 18 -2,-0.3 4,-2.0 -8,-0.1 3,-1.5 -0.954 18.9-165.7-112.0 103.7 34.3 1.7 -43.7 990 486 B L T 34 S+ 0 0 14 -2,-0.6 4,-0.4 1,-0.3 -501,-0.2 0.752 82.4 65.1 -68.8 -22.8 30.6 2.6 -43.7 991 487 B T T 34 S+ 0 0 104 1,-0.2 -1,-0.3 2,-0.1 -501,-0.0 0.752 121.3 19.5 -68.6 -23.8 30.4 2.2 -47.5 992 488 B E T X4 S+ 0 0 48 -3,-1.5 3,-1.9 2,-0.1 4,-0.5 0.511 90.5 103.0-125.1 -2.9 31.1 -1.5 -47.0 993 489 B A T 3< S+ 0 0 0 -4,-2.0 -71,-0.8 1,-0.3 3,-0.3 0.847 100.8 27.6 -46.4 -41.8 30.3 -2.4 -43.4 994 490 B L T 3> S+ 0 0 7 -4,-0.4 4,-1.9 -509,-0.2 3,-0.3 0.279 93.0 104.9-105.6 11.4 27.0 -4.0 -44.4 995 491 B S H <> S+ 0 0 33 -3,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.720 73.0 58.0 -69.2 -24.1 28.1 -5.0 -47.9 996 492 B W H > S+ 0 0 7 -4,-0.5 4,-2.2 -3,-0.3 -1,-0.2 0.893 107.5 48.3 -72.4 -37.6 28.5 -8.8 -47.2 997 493 B H H > S+ 0 0 0 -3,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.934 112.7 47.1 -66.1 -47.1 24.9 -9.0 -46.0 998 494 B Q H X S+ 0 0 35 -4,-1.9 4,-2.9 1,-0.2 -1,-0.2 0.869 109.2 56.2 -62.0 -34.8 23.7 -7.2 -49.1 999 495 B R H X S+ 0 0 66 -4,-1.9 4,-3.2 2,-0.2 6,-0.6 0.923 107.1 48.7 -60.3 -44.0 25.9 -9.5 -51.2 1000 496 B F H X S+ 0 0 32 -4,-2.2 4,-2.2 4,-0.2 -2,-0.2 0.905 112.5 47.9 -62.4 -44.0 24.1 -12.5 -49.7 1001 497 B I H < S+ 0 0 58 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.944 118.2 41.7 -58.4 -47.7 20.7 -10.9 -50.4 1002 498 B D H < S+ 0 0 113 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.888 135.2 12.6 -68.4 -41.4 21.8 -10.1 -54.0 1003 499 B T H < S- 0 0 90 -4,-3.2 -3,-0.2 2,-0.3 -2,-0.2 0.504 95.9-112.3-121.4 -10.8 23.6 -13.3 -54.9 1004 500 B G S < S+ 0 0 32 -4,-2.2 2,-0.3 -5,-0.5 -4,-0.2 0.517 91.5 69.0 84.7 3.9 22.9 -15.9 -52.2 1005 501 B T - 0 0 31 -6,-0.6 -2,-0.3 2,-0.1 -89,-0.2 -0.995 68.4-142.2-151.9 153.8 26.4 -15.9 -50.9 1006 502 B M S S+ 0 0 0 -91,-2.3 -90,-0.1 -2,-0.3 -91,-0.1 0.605 78.4 98.6 -88.0 -14.0 28.8 -13.6 -49.1 1007 503 B L S S- 0 0 58 -92,-0.2 -2,-0.1 -93,-0.1 -41,-0.1 -0.585 80.1-119.2 -74.0 130.1 31.7 -14.8 -51.2 1008 504 B P 0 0 71 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.266 360.0 360.0 -60.1 156.4 32.6 -12.5 -54.1 1009 505 B S 0 0 175 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.279 360.0 360.0 -52.3 360.0 32.3 -13.9 -57.7