==== 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 25-APR-12 4EU9 . COMPND 2 MOLECULE: SUCCINYL-COA:ACETATE COENZYME A TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ACETOBACTER ACETI; . AUTHOR E.A.MULLINS,T.J.KAPPOCK . 1017 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33228.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 695 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 144 14.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 58 5.7 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 . 2 0.2 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 . 101 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 253 24.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 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 2 4 2 8 1 7 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 . 8 9 9 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 6 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 0 ANTIPARALLEL BRIDGES PER LADDER . 4 2 2 0 0 0 0 2 0 2 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 0 164 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 134.9 10.8 20.6 11.7 2 3 A E - 0 0 86 1,-0.1 3,-0.1 2,-0.1 135,-0.0 -0.416 360.0-162.8 -64.8 128.8 13.1 17.6 10.9 3 4 A R S S+ 0 0 34 -2,-0.2 135,-2.8 1,-0.2 2,-1.0 0.749 77.5 67.0 -85.8 -27.9 11.7 15.4 8.1 4 5 A I B +a 138 0A 0 133,-0.2 -1,-0.2 1,-0.2 135,-0.2 -0.804 58.8 171.2 -95.4 99.5 13.9 12.3 8.7 5 6 A R + 0 0 70 133,-3.2 2,-0.7 -2,-1.0 134,-0.2 0.577 56.7 83.3 -91.9 -9.1 12.7 11.2 12.2 6 7 A N > - 0 0 35 132,-0.3 4,-0.6 133,-0.2 3,-0.2 -0.868 68.9-158.5 -90.0 114.9 14.6 8.0 12.1 7 8 A V T >4 S+ 0 0 93 -2,-0.7 3,-1.3 1,-0.2 4,-0.4 0.901 84.5 57.6 -67.1 -41.0 18.1 9.0 13.2 8 9 A A G >4 S+ 0 0 76 1,-0.3 3,-1.5 2,-0.2 -1,-0.2 0.883 101.8 56.0 -56.9 -41.3 19.9 6.0 11.8 9 10 A L G >4 S+ 0 0 4 1,-0.3 3,-1.9 2,-0.2 -1,-0.3 0.721 88.5 76.7 -68.5 -17.3 18.7 6.8 8.3 10 11 A R G X< S+ 0 0 97 -3,-1.3 3,-1.6 -4,-0.6 -1,-0.3 0.796 83.0 67.7 -61.7 -25.3 20.1 10.3 8.5 11 12 A S G < S+ 0 0 112 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.640 91.7 61.7 -69.5 -13.9 23.6 8.8 7.9 12 13 A K G < S+ 0 0 62 -3,-1.9 207,-2.0 -4,-0.2 -1,-0.3 0.425 75.3 120.3 -91.7 1.5 22.5 7.8 4.4 13 14 A V B < +b 219 0A 48 -3,-1.6 207,-0.2 205,-0.2 -3,-0.0 -0.454 34.0 148.9 -69.5 132.0 21.9 11.5 3.3 14 15 A C - 0 0 33 205,-2.5 207,-0.3 -2,-0.2 -2,-0.0 -0.953 48.3 -71.3-154.9 168.5 24.0 12.6 0.3 15 16 A P > - 0 0 75 0, 0.0 4,-2.4 0, 0.0 5,-0.2 -0.309 41.8-115.6 -67.5 154.2 23.9 14.9 -2.7 16 17 A A H > S+ 0 0 10 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.869 115.8 54.7 -53.0 -40.9 21.6 14.2 -5.6 17 18 A E H > S+ 0 0 113 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.927 109.0 46.7 -62.0 -47.3 24.7 13.8 -7.9 18 19 A T H >4 S+ 0 0 66 1,-0.2 3,-0.6 2,-0.2 4,-0.4 0.906 112.0 50.7 -60.9 -43.8 26.2 11.1 -5.6 19 20 A A H >< S+ 0 0 0 -4,-2.4 3,-1.6 1,-0.2 4,-0.3 0.892 104.2 58.3 -62.2 -38.2 22.9 9.3 -5.4 20 21 A S H >< S+ 0 0 0 -4,-2.3 3,-1.5 1,-0.3 -1,-0.2 0.762 92.5 69.5 -64.8 -24.1 22.5 9.3 -9.2 21 22 A E T << S+ 0 0 92 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.694 85.5 68.5 -68.2 -16.8 25.8 7.5 -9.4 22 23 A L T < S+ 0 0 43 -3,-1.6 2,-0.6 -4,-0.4 -1,-0.3 0.686 84.0 84.8 -71.0 -19.7 24.1 4.4 -7.9 23 24 A I < - 0 0 1 -3,-1.5 2,-0.2 -4,-0.3 3,-0.1 -0.787 69.6-163.9 -92.6 119.6 22.1 4.1 -11.1 24 25 A K > - 0 0 119 -2,-0.6 3,-2.3 1,-0.1 37,-0.1 -0.653 30.6 -82.2-106.5 157.3 23.9 2.2 -13.8 25 26 A H T 3 S+ 0 0 95 1,-0.3 38,-0.2 -2,-0.2 -1,-0.1 -0.317 118.1 21.3 -51.6 130.1 23.6 1.7 -17.6 26 27 A G T 3 S+ 0 0 30 36,-3.3 -1,-0.3 1,-0.3 37,-0.2 0.236 90.6 145.2 94.0 -13.4 21.0 -1.0 -18.2 27 28 A D < - 0 0 19 -3,-2.3 37,-2.7 35,-0.2 2,-0.6 -0.236 49.2-133.4 -61.5 144.4 19.3 -0.6 -14.9 28 29 A V E -c 64 0A 11 99,-0.4 101,-2.1 35,-0.2 102,-1.8 -0.912 29.0-166.7 -93.8 122.4 15.5 -1.1 -14.4 29 30 A V E -cd 65 130A 2 35,-3.2 37,-2.8 -2,-0.6 2,-0.5 -0.965 11.2-162.0-119.9 120.8 14.4 1.9 -12.3 30 31 A G E -cd 66 131A 0 100,-2.9 102,-2.7 -2,-0.5 2,-0.3 -0.890 20.2-176.1 -99.8 129.4 11.0 2.1 -10.6 31 32 A T E - d 0 132A 1 35,-2.7 121,-0.3 -2,-0.5 102,-0.2 -0.872 28.6-112.8-124.6 157.5 9.9 5.6 -9.5 32 33 A S + 0 0 2 100,-1.8 119,-0.1 -2,-0.3 6,-0.1 -0.330 60.4 111.7 -66.7 164.6 7.2 7.4 -7.7 33 34 A G + 0 0 0 6,-0.2 36,-2.5 4,-0.2 35,-1.1 0.008 27.2 174.2 130.0 127.4 5.1 9.7 -9.9 34 35 A F B > S-K 37 0B 0 3,-1.5 3,-2.0 34,-0.2 282,-0.2 -0.937 72.6 -10.3-157.8 132.1 1.5 9.9 -11.1 35 36 A T T 3 S- 0 0 26 -2,-0.3 36,-0.2 1,-0.3 3,-0.1 0.847 128.2 -51.6 38.8 50.6 -0.2 12.8 -13.1 36 37 A G T 3 S+ 0 0 6 34,-0.7 191,-2.3 1,-0.2 2,-0.5 0.631 115.6 115.6 73.1 14.2 2.7 15.2 -12.5 37 38 A A B < S-K 34 0B 3 -3,-2.0 -3,-1.5 33,-0.4 -1,-0.2 -0.957 72.7 -6.0-127.6 124.0 2.6 14.6 -8.8 38 39 A G S S+ 0 0 0 -2,-0.5 96,-0.7 1,-0.2 109,-0.2 0.641 78.8 142.4 81.6 17.3 5.2 13.1 -6.5 39 40 A Y - 0 0 0 94,-0.1 -1,-0.2 1,-0.1 -6,-0.2 -0.548 60.5 -94.5 -83.8 153.7 7.9 11.9 -8.9 40 41 A P + 0 0 0 0, 0.0 -1,-0.1 0, 0.0 94,-0.1 -0.421 44.7 176.3 -70.3 150.6 11.5 12.3 -8.0 41 42 A K > + 0 0 0 -2,-0.1 4,-1.4 3,-0.1 5,-0.1 0.748 62.4 43.7-125.3 -50.4 13.1 15.4 -9.3 42 43 A E H > S+ 0 0 49 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.888 110.9 50.9 -80.6 -38.2 16.7 16.1 -8.3 43 44 A V H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.934 110.4 49.7 -65.5 -44.1 18.3 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 0.906 109.7 52.4 -62.0 -36.9 16.8 12.3 -12.3 45 46 A K H X S+ 0 0 78 -4,-1.4 4,-1.6 2,-0.2 -2,-0.2 0.919 112.7 44.2 -60.6 -45.1 18.2 15.8 -13.2 46 47 A A H X S+ 0 0 10 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.891 112.8 52.1 -66.9 -39.7 21.6 14.8 -12.0 47 48 A L H X S+ 0 0 3 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.923 106.5 53.7 -61.8 -45.7 21.4 11.4 -13.8 48 49 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.889 107.4 51.0 -56.4 -41.0 20.4 13.1 -17.1 49 50 A Q H X S+ 0 0 110 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.920 112.0 46.1 -64.9 -43.5 23.5 15.3 -16.9 50 51 A R H X S+ 0 0 72 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.861 111.1 53.8 -68.0 -36.1 25.8 12.4 -16.4 51 52 A M H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.938 108.8 47.9 -60.6 -48.5 24.0 10.5 -19.2 52 53 A E H X S+ 0 0 65 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.902 110.3 52.5 -60.0 -41.3 24.6 13.3 -21.6 53 54 A A H X S+ 0 0 51 -4,-2.1 4,-0.7 1,-0.2 -1,-0.2 0.905 110.9 47.2 -62.6 -42.6 28.3 13.5 -20.6 54 55 A A H ><>S+ 0 0 9 -4,-2.2 5,-2.6 1,-0.2 3,-1.3 0.936 110.7 51.2 -61.5 -49.7 28.7 9.8 -21.2 55 56 A H H ><5S+ 0 0 56 -4,-2.6 3,-1.9 1,-0.3 -2,-0.2 0.866 103.2 59.3 -58.9 -37.8 27.0 9.9 -24.6 56 57 A D H 3<5S+ 0 0 141 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.729 107.7 47.5 -64.1 -21.6 29.2 12.7 -25.7 57 58 A R T <<5S- 0 0 216 -3,-1.3 -1,-0.3 -4,-0.7 -2,-0.2 0.245 125.0-101.8-101.3 9.7 32.2 10.4 -25.1 58 59 A G T < 5S+ 0 0 73 -3,-1.9 2,-0.5 1,-0.3 -3,-0.2 0.709 79.1 137.0 78.9 21.2 30.7 7.5 -27.0 59 60 A E < - 0 0 117 -5,-2.6 -1,-0.3 -6,-0.1 -2,-0.2 -0.891 53.3-126.5-105.2 126.0 29.6 5.7 -23.8 60 61 A K + 0 0 160 -2,-0.5 2,-0.2 -3,-0.1 -35,-0.2 -0.428 34.4 165.5 -68.4 139.6 26.2 4.1 -23.6 61 62 A Y + 0 0 13 22,-0.2 2,-0.3 -2,-0.1 -6,-0.1 -0.669 15.3 134.3-158.6 96.8 24.0 5.2 -20.6 62 63 A Q - 0 0 50 -2,-0.2 -36,-3.3 23,-0.1 2,-0.3 -0.986 28.1-158.6-142.3 154.6 20.3 4.4 -20.6 63 64 A I E - e 0 85A 1 21,-2.4 23,-2.3 -2,-0.3 24,-1.1 -0.793 25.3-115.0-122.8 166.9 17.8 3.0 -18.2 64 65 A S E -ce 28 87A 4 -37,-2.7 -35,-3.2 -2,-0.3 2,-0.6 -0.941 35.3-154.8 -95.5 127.7 14.4 1.3 -18.2 65 66 A L E +ce 29 88A 0 22,-2.8 24,-2.1 -2,-0.5 2,-0.5 -0.925 16.6 177.2-115.5 111.7 12.0 3.7 -16.5 66 67 A I E +ce 30 89A 0 -37,-2.8 -35,-2.7 -2,-0.6 2,-0.2 -0.959 14.3 167.7-113.0 129.5 8.9 2.2 -14.8 67 68 A T - 0 0 0 22,-1.8 -35,-0.1 -2,-0.5 -34,-0.1 -0.522 49.5-104.3-125.9-173.3 6.6 4.7 -13.0 68 69 A G S S- 0 0 0 -35,-1.1 -34,-0.2 1,-0.2 -1,-0.2 0.923 89.5 -59.9 -75.5 -67.1 3.2 5.0 -11.4 69 70 A A S S- 0 0 1 -36,-2.5 22,-0.3 1,-0.4 -1,-0.2 -0.445 99.9 -2.9-145.7-131.1 1.9 7.0 -14.4 70 71 A S - 0 0 5 -2,-0.2 -34,-0.7 22,-0.1 -33,-0.4 -0.262 57.7-173.8 -69.8 155.4 3.1 10.4 -15.9 71 72 A T - 0 0 3 -36,-0.2 -35,-0.2 -35,-0.1 156,-0.1 0.286 21.2-105.4-114.9-118.9 5.8 12.4 -14.2 72 73 A G >>> - 0 0 6 -37,-0.1 5,-1.6 154,-0.1 3,-1.3 -0.933 41.6 -66.9-166.4-173.7 7.1 15.8 -15.1 73 74 A P T 34>S+ 0 0 54 0, 0.0 5,-1.9 0, 0.0 6,-0.1 0.823 122.0 58.2 -61.1 -34.5 9.9 17.9 -16.7 74 75 A Q T 345S+ 0 0 20 3,-0.2 -33,-0.0 4,-0.1 5,-0.0 0.725 122.4 20.4 -68.9 -22.2 12.5 16.9 -14.1 75 76 A L T <>5S+ 0 0 2 -3,-1.3 4,-2.5 3,-0.1 5,-0.4 0.739 136.0 23.7-111.5 -80.7 12.2 13.2 -14.8 76 77 A D H X5S+ 0 0 0 -4,-0.7 4,-2.2 1,-0.2 5,-0.2 0.913 127.9 49.5 -55.8 -42.5 10.6 12.2 -18.1 77 78 A G H >S+ 0 0 1 -4,-2.5 5,-2.8 1,-0.2 6,-0.3 0.900 112.8 48.9 -67.9 -37.4 15.9 11.9 -19.3 80 81 A A H ><5S+ 0 0 0 -4,-2.2 3,-1.5 -5,-0.4 -2,-0.2 0.911 108.6 53.3 -66.5 -40.4 14.3 12.2 -22.7 81 82 A K H 3<5S+ 0 0 108 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.891 111.2 47.9 -59.0 -36.5 16.4 15.3 -23.5 82 83 A A T 3<5S- 0 0 4 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.445 109.0-126.1 -80.6 -2.8 19.4 13.2 -22.6 83 84 A N T < 5 + 0 0 53 -3,-1.5 -3,-0.2 -4,-0.2 -22,-0.2 0.907 65.8 140.9 52.7 45.0 18.2 10.2 -24.7 84 85 A G < + 0 0 0 -5,-2.8 -21,-2.4 -6,-0.1 2,-0.5 0.252 35.9 81.0-104.1 11.4 18.6 8.2 -21.5 85 86 A V E +e 63 0A 1 -23,-0.3 -21,-0.2 -6,-0.3 3,-0.1 -0.946 39.6 174.4-127.7 114.6 15.7 5.9 -21.6 86 87 A Y E S+ 0 0 85 -23,-2.3 21,-2.5 -2,-0.5 2,-0.3 0.778 79.0 19.7 -86.1 -27.0 15.6 2.6 -23.6 87 88 A F E -ef 64 107A 13 -24,-1.1 -22,-2.8 19,-0.2 2,-0.3 -0.996 67.4-173.6-143.9 140.9 12.3 1.4 -22.3 88 89 A R E -ef 65 108A 0 19,-2.5 21,-1.5 -2,-0.3 -22,-0.2 -0.991 12.9-146.3-137.5 139.4 9.4 3.3 -20.6 89 90 A S E -e 66 0A 0 -24,-2.1 -22,-1.8 -2,-0.3 21,-0.1 -0.943 46.5 -12.8-161.9 149.7 6.2 2.1 -19.0 90 91 A P S S- 0 0 0 0, 0.0 296,-0.4 0, 0.0 2,-0.3 -0.992 105.5 -5.5-110.6 -3.6 3.3 2.6 -18.3 91 92 A F + 0 0 31 -22,-0.3 2,-0.3 293,-0.1 293,-0.2 -0.957 50.9 177.1-162.0 132.3 2.2 6.1 -19.0 92 93 A N + 0 0 2 291,-1.2 -22,-0.1 -2,-0.3 -4,-0.0 -0.984 18.0 174.4-139.1 146.8 3.8 9.4 -20.1 93 94 A T + 0 0 60 -2,-0.3 2,-0.2 -24,-0.1 -1,-0.1 0.326 47.4 117.8-128.0 -0.7 2.7 12.9 -20.9 94 95 A D > - 0 0 28 1,-0.1 4,-2.5 -22,-0.1 5,-0.1 -0.523 59.4-142.7 -71.8 134.7 6.0 14.6 -21.4 95 96 A A H > S+ 0 0 54 -2,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.840 98.5 49.5 -70.2 -33.4 6.5 16.0 -25.0 96 97 A T H > S+ 0 0 50 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.937 113.5 46.4 -71.8 -43.8 10.1 15.1 -25.3 97 98 A M H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.904 109.8 55.1 -60.8 -40.1 9.6 11.6 -24.0 98 99 A R H X S+ 0 0 46 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.929 107.5 50.0 -58.6 -43.7 6.6 11.3 -26.4 99 100 A N H X S+ 0 0 104 -4,-2.1 4,-1.4 1,-0.2 6,-0.3 0.912 109.1 50.9 -63.0 -40.5 8.9 12.3 -29.3 100 101 A R H <>S+ 0 0 52 -4,-2.2 5,-2.2 2,-0.2 6,-1.5 0.913 112.2 47.9 -62.2 -41.5 11.5 9.7 -28.3 101 102 A I H ><5S+ 0 0 1 -4,-2.5 3,-1.3 4,-0.2 -2,-0.2 0.939 112.4 47.9 -62.8 -46.8 8.7 7.1 -28.2 102 103 A N H 3<5S+ 0 0 16 -4,-2.8 891,-1.9 1,-0.3 -1,-0.2 0.662 110.6 51.9 -74.3 -12.9 7.3 8.1 -31.6 103 104 A A T 3<5S- 0 0 46 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.448 114.8-115.0 -93.6 -5.0 10.8 8.0 -33.1 104 105 A G T < 5S+ 0 0 36 -3,-1.3 -3,-0.2 -4,-0.4 -2,-0.1 0.607 86.5 117.6 78.2 12.3 11.4 4.5 -31.8 105 106 A E S > - 0 0 0 1,-0.1 3,-1.7 828,-0.1 4,-0.8 -0.392 43.6-126.6 -49.8 129.7 -3.3 -0.9 -17.7 113 114 A L G >4 S+ 0 0 2 273,-1.8 3,-0.8 1,-0.3 4,-0.4 0.855 106.2 52.9 -57.5 -37.8 -2.4 1.2 -14.7 114 115 A G G 34 S+ 0 0 3 1,-0.2 -1,-0.3 232,-0.2 4,-0.3 0.612 110.0 50.3 -74.8 -11.5 -4.0 -1.1 -12.2 115 116 A Q G <> S+ 0 0 15 -3,-1.7 4,-2.4 2,-0.1 -1,-0.2 0.551 83.9 88.8 -99.1 -12.9 -2.0 -4.1 -13.6 116 117 A V H S+ 0 0 0 -4,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.926 112.4 48.7 -61.0 -44.0 2.4 -3.7 -10.0 118 119 A G H > S+ 0 0 1 -4,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.898 112.2 47.4 -63.9 -41.7 1.3 -7.2 -10.7 119 120 A R H X>S+ 0 0 22 -4,-2.4 5,-2.3 2,-0.2 4,-0.7 0.870 110.4 53.2 -69.2 -33.6 3.2 -7.4 -14.0 120 121 A A H ><5S+ 0 0 3 -4,-2.5 3,-1.1 -5,-0.2 -2,-0.2 0.940 110.1 47.4 -63.3 -45.7 6.3 -6.0 -12.3 121 122 A V H 3<5S+ 0 0 52 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.881 107.1 57.3 -64.5 -35.0 6.1 -8.7 -9.6 122 123 A Q H 3<5S- 0 0 29 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.684 119.7-113.0 -67.0 -17.8 5.6 -11.3 -12.3 123 124 A G T X<5S+ 0 0 38 -3,-1.1 3,-1.8 -4,-0.7 -3,-0.2 0.528 72.1 138.6 98.6 9.7 8.9 -10.1 -13.7 124 125 A N T 3 - 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0 0 13 -4,-2.8 8,-0.1 -5,-0.2 3,-0.0 -0.252 67.1-120.6 -65.2 148.8 4.3 5.3 -41.0 991 478 B F S S+ 0 0 74 6,-0.4 2,-0.3 -614,-0.2 -1,-0.1 0.922 102.5 13.0 -51.4 -50.6 2.8 8.5 -39.6 992 479 B G - 0 0 4 3,-0.2 5,-0.4 5,-0.1 -612,-0.1 -0.901 69.5-142.9-122.1 160.6 4.3 7.5 -36.2 993 480 B K S S+ 0 0 71 -891,-1.9 -613,-0.1 -2,-0.3 -890,-0.1 0.406 83.9 83.3-105.0 3.6 6.8 4.8 -35.4 994 481 B H S S+ 0 0 8 -615,-0.9 -34,-0.4 1,-0.3 -614,-0.2 0.903 116.2 8.4 -72.4 -40.2 5.5 3.6 -32.1 995 482 B T S S- 0 0 2 -616,-1.7 -1,-0.3 -36,-0.1 -3,-0.2 -0.639 94.3-148.9-135.9 76.2 2.9 1.3 -33.8 996 483 B P + 0 0 0 0, 0.0 2,-0.3 0, 0.0 -9,-0.2 -0.194 25.8 163.5 -59.2 131.5 3.9 1.5 -37.4 997 484 B H - 0 0 12 -5,-0.4 2,-0.6 -11,-0.3 -6,-0.4 -0.976 37.9-144.8-140.7 155.6 1.2 1.1 -40.1 998 485 B L >> - 0 0 19 -2,-0.3 4,-1.7 -8,-0.1 3,-1.7 -0.944 18.5-165.1-113.3 102.5 0.6 1.7 -43.7 999 486 B L T 34 S+ 0 0 14 -2,-0.6 4,-0.4 1,-0.3 -510,-0.2 0.770 83.1 63.7 -66.1 -24.0 -3.1 2.7 -43.8 1000 487 B T T 34 S+ 0 0 105 1,-0.2 -1,-0.3 2,-0.1 -510,-0.1 0.733 121.4 20.2 -68.8 -22.3 -3.3 2.2 -47.5 1001 488 B E T X4 S+ 0 0 47 -3,-1.7 3,-1.6 2,-0.1 4,-0.4 0.462 90.7 103.5-127.3 2.4 -2.6 -1.5 -47.1 1002 489 B A T 3< S+ 0 0 0 -4,-1.7 -71,-0.8 1,-0.3 3,-0.3 0.853 99.6 27.0 -53.5 -41.0 -3.4 -2.4 -43.5 1003 490 B L T 3> S+ 0 0 6 -4,-0.4 4,-2.0 -518,-0.2 -1,-0.3 0.244 93.9 104.7-105.1 11.1 -6.7 -4.0 -44.4 1004 491 B S H <> S+ 0 0 32 -3,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.721 72.5 58.2 -70.1 -22.9 -5.7 -5.0 -47.9 1005 492 B W H > S+ 0 0 6 -4,-0.4 4,-2.1 -3,-0.3 -1,-0.2 0.895 108.1 47.9 -73.3 -38.2 -5.2 -8.7 -47.2 1006 493 B H H > S+ 0 0 0 -3,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.942 112.6 47.8 -63.7 -46.9 -8.8 -8.9 -46.0 1007 494 B Q H X S+ 0 0 33 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.894 108.4 56.0 -60.2 -36.9 -9.9 -7.1 -49.1 1008 495 B R H X S+ 0 0 65 -4,-2.2 4,-2.6 1,-0.2 6,-0.6 0.914 107.5 48.8 -62.4 -40.8 -7.8 -9.5 -51.2 1009 496 B F H X S+ 0 0 27 -4,-2.1 4,-2.3 4,-0.2 -1,-0.2 0.924 111.5 48.9 -62.6 -45.5 -9.6 -12.4 -49.7 1010 497 B I H < S+ 0 0 59 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.917 118.6 40.4 -57.1 -43.6 -13.0 -10.8 -50.4 1011 498 B D H < S+ 0 0 112 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.820 134.9 13.1 -76.3 -34.9 -11.9 -10.1 -54.0 1012 499 B T H < S- 0 0 92 -4,-2.6 -3,-0.2 2,-0.2 -2,-0.2 0.487 95.5-112.3-126.4 -11.7 -10.1 -13.3 -54.9 1013 500 B G S < S+ 0 0 32 -4,-2.3 2,-0.3 -5,-0.5 -4,-0.2 0.470 90.6 69.7 84.5 2.7 -10.8 -15.9 -52.2 1014 501 B T - 0 0 34 -6,-0.6 -2,-0.2 2,-0.1 -89,-0.2 -0.998 67.2-143.6-149.9 150.3 -7.2 -15.9 -50.9 1015 502 B M S S+ 0 0 0 -91,-2.6 -90,-0.1 -2,-0.3 -6,-0.1 0.553 79.8 96.1 -85.2 -9.3 -4.8 -13.7 -49.0 1016 503 B L S S- 0 0 56 -92,-0.2 -2,-0.1 -8,-0.1 -41,-0.1 -0.684 80.7-121.0 -81.2 130.9 -2.0 -14.9 -51.2 1017 504 B P 0 0 74 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.234 360.0 360.0 -64.7 161.0 -1.2 -12.6 -54.1 1018 505 B S 0 0 175 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.293 360.0 360.0 -53.4 360.0 -1.3 -14.0 -57.6