==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-FEB-11 3QU4 . COMPND 2 MOLECULE: INORGANIC PYROPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON; . AUTHOR Y.PATSKOVSKY,H.HUANG,R.TORO,J.A.GERLT,S.K.BURLEY,D.DUNAWAY-M . 1793 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 77503.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1219 68.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 200 11.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 0.9 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.4 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 . 62 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 207 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 648 36.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 45 2.5 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 0 0 17 7 8 8 16 0 2 6 8 0 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 8 8 16 8 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 . 8 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 8 0 0 8 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 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 R 0 0 37 0, 0.0 3,-0.0 0, 0.0 221,-0.0 0.000 360.0 360.0 360.0 41.5 20.9 1.2 53.5 2 3 A K + 0 0 187 1,-0.2 163,-0.0 3,-0.0 0, 0.0 0.799 360.0 49.7 -77.1 -29.6 21.9 1.7 57.1 3 4 A K S S+ 0 0 109 161,-0.1 -1,-0.2 163,-0.0 2,-0.1 0.666 90.1 108.4 -79.7 -18.2 19.3 -0.8 58.3 4 5 A L + 0 0 14 1,-0.1 162,-0.2 -3,-0.0 161,-0.1 -0.368 30.0 157.3 -71.5 134.9 20.5 -3.4 55.8 5 6 A K + 0 0 105 160,-2.5 102,-2.6 1,-0.3 2,-0.3 0.572 57.2 29.5-125.9 -24.5 22.4 -6.4 57.0 6 7 A A E -ab 107 166A 1 159,-1.6 161,-1.0 100,-0.3 2,-0.5 -0.961 52.8-142.0-146.8 155.9 22.1 -9.1 54.4 7 8 A V E -ab 108 167A 0 100,-2.4 102,-3.0 -2,-0.3 2,-0.9 -0.984 17.3-152.6-123.7 118.5 21.7 -10.0 50.7 8 9 A L E -ab 109 168A 0 159,-3.1 161,-2.4 -2,-0.5 2,-0.5 -0.820 15.6-163.0 -94.8 103.3 19.5 -13.0 49.8 9 10 A F E -ab 110 169A 0 100,-3.2 102,-3.3 -2,-0.9 161,-0.1 -0.759 12.5-144.8 -90.8 123.9 20.7 -14.5 46.5 10 11 A D E -a 111 0A 12 159,-1.9 5,-0.2 -2,-0.5 102,-0.2 -0.480 17.2-146.1 -65.4 153.1 18.5 -16.8 44.4 11 12 A M S >>>S+ 0 0 11 100,-0.9 4,-2.7 3,-0.2 3,-2.1 0.931 71.4 69.6 -88.7 -67.5 20.8 -19.4 42.7 12 13 A A B 345S+f 16 0B 19 1,-0.3 159,-0.2 2,-0.2 5,-0.2 -0.367 119.8 1.0 -63.5 115.2 19.5 -20.3 39.3 13 14 A G T 345S+ 0 0 0 3,-2.7 -1,-0.3 -2,-0.3 178,-0.2 0.541 133.4 58.2 84.6 8.2 19.8 -17.4 36.8 14 15 A V T <45S+ 0 0 0 -3,-2.1 -2,-0.2 2,-0.4 -3,-0.2 0.554 120.0 16.3-130.0 -54.6 21.4 -15.2 39.5 15 16 A L T <5S+ 0 0 0 -4,-2.7 76,-2.9 1,-0.2 2,-0.3 0.871 135.1 26.0 -86.0 -45.7 24.6 -17.0 40.7 16 17 A F B > + 0 0 10 -2,-1.9 4,-2.2 70,-0.2 3,-0.8 0.582 41.6 86.7-101.5 -13.2 21.5 -22.6 34.4 19 20 A M H 3> S+ 0 0 12 -3,-0.3 4,-2.3 1,-0.3 5,-0.3 0.768 80.4 60.1 -69.0 -29.3 18.1 -21.4 32.9 20 21 A P H 3> S+ 0 0 56 0, 0.0 4,-1.0 0, 0.0 -1,-0.3 0.872 113.9 43.6 -56.5 -31.3 18.9 -22.1 29.2 21 22 A Y H <> S+ 0 0 56 -3,-0.8 4,-2.3 2,-0.2 -2,-0.2 0.929 114.1 46.1 -80.6 -48.0 19.3 -25.7 30.6 22 23 A H H X S+ 0 0 37 -4,-2.2 4,-2.1 1,-0.2 5,-0.2 0.927 113.5 48.4 -59.3 -47.8 16.3 -25.8 32.9 23 24 A S H X S+ 0 0 5 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.808 114.5 45.0 -66.9 -33.8 13.8 -24.3 30.3 24 25 A E H X S+ 0 0 42 -4,-1.0 4,-2.7 -5,-0.3 5,-0.2 0.907 110.8 54.0 -74.5 -43.4 15.0 -26.6 27.5 25 26 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.896 112.2 44.9 -53.9 -44.8 14.9 -29.7 29.7 26 27 A W H X S+ 0 0 24 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.870 113.1 48.9 -67.9 -44.6 11.3 -28.9 30.7 27 28 A H H X S+ 0 0 23 -4,-1.5 4,-2.2 -5,-0.2 10,-0.3 0.948 115.9 45.0 -57.9 -48.6 10.1 -28.2 27.2 28 29 A Q H X S+ 0 0 53 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.820 110.0 51.6 -69.7 -38.5 11.7 -31.4 25.9 29 30 A V H X S+ 0 0 4 -4,-2.1 4,-0.9 -5,-0.2 -1,-0.2 0.901 114.1 44.5 -66.9 -39.7 10.5 -33.8 28.7 30 31 A M H ><>S+ 0 0 0 -4,-1.7 5,-2.6 2,-0.2 3,-0.7 0.919 109.5 55.8 -70.1 -44.9 6.9 -32.7 28.3 31 32 A K H ><5S+ 0 0 129 -4,-2.2 3,-1.1 1,-0.3 -1,-0.2 0.831 105.3 53.4 -54.5 -37.7 7.2 -32.8 24.4 32 33 A T H 3<5S+ 0 0 110 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.792 107.5 51.0 -69.5 -30.3 8.3 -36.5 24.8 33 34 A H T <<5S- 0 0 83 -4,-0.9 -1,-0.2 -3,-0.7 -2,-0.2 0.138 125.0-101.4 -91.5 17.8 5.2 -37.2 26.9 34 35 A G T < 5S+ 0 0 69 -3,-1.1 2,-0.4 1,-0.2 -3,-0.2 0.816 82.6 132.1 66.7 32.5 2.8 -35.7 24.3 35 36 A L < - 0 0 13 -5,-2.6 2,-0.9 -8,-0.1 -1,-0.2 -0.926 55.2-132.5-124.3 143.4 2.5 -32.5 26.4 36 37 A D + 0 0 96 -2,-0.4 2,-0.4 21,-0.1 -9,-0.1 -0.815 41.3 144.1-102.6 100.0 2.9 -28.8 25.4 37 38 A L - 0 0 0 -2,-0.9 -6,-0.2 -10,-0.3 -7,-0.1 -0.947 36.0-149.6-127.8 111.4 5.1 -26.7 27.7 38 39 A S > - 0 0 40 -2,-0.4 4,-2.4 1,-0.1 5,-0.1 -0.311 24.1-112.3 -78.0 163.1 7.0 -24.1 25.7 39 40 A R H > S+ 0 0 110 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.897 121.0 49.1 -61.2 -43.3 10.4 -22.7 26.6 40 41 A E H > S+ 0 0 129 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.890 110.3 51.8 -60.7 -41.1 9.0 -19.3 27.3 41 42 A E H > S+ 0 0 63 2,-0.2 4,-1.2 1,-0.2 -2,-0.2 0.873 108.0 51.8 -62.9 -39.1 6.3 -21.0 29.5 42 43 A A H < S+ 0 0 4 -4,-2.4 3,-0.3 2,-0.2 -2,-0.2 0.907 108.6 50.8 -62.5 -43.7 9.1 -22.9 31.3 43 44 A Y H >< S+ 0 0 26 -4,-2.3 3,-1.4 1,-0.2 -2,-0.2 0.901 107.9 52.8 -59.1 -42.6 10.8 -19.5 31.9 44 45 A M H 3< S+ 0 0 76 -4,-2.4 130,-0.3 1,-0.2 -1,-0.2 0.763 110.4 49.3 -59.2 -28.6 7.4 -18.2 33.3 45 46 A H T >< S+ 0 0 34 -4,-1.2 3,-1.5 -3,-0.3 -1,-0.2 0.200 80.4 138.7-100.0 14.9 7.3 -21.2 35.7 46 47 A E T < + 0 0 15 -3,-1.4 129,-0.3 1,-0.2 128,-0.3 -0.378 65.3 28.3 -61.9 131.3 10.9 -20.7 37.0 47 48 A G T 3 S+ 0 0 35 1,-0.4 99,-2.5 -2,-0.1 -1,-0.2 0.218 90.2 123.8 100.0 -13.7 11.3 -21.3 40.8 48 49 A R < - 0 0 24 -3,-1.5 -1,-0.4 97,-0.2 2,-0.1 -0.402 68.7-106.7 -69.1 153.2 8.4 -23.7 41.0 49 50 A T >> - 0 0 51 97,-0.3 4,-2.1 462,-0.2 3,-0.6 -0.462 31.0-113.2 -69.1 155.0 8.8 -27.1 42.5 50 51 A G H 3> S+ 0 0 12 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.900 120.0 58.3 -55.8 -42.4 8.8 -29.9 39.9 51 52 A A H 3> S+ 0 0 34 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.788 107.5 46.9 -56.7 -33.8 5.5 -31.1 41.5 52 53 A S H <> S+ 0 0 0 -3,-0.6 4,-2.2 2,-0.2 -2,-0.2 0.968 112.4 46.1 -74.9 -54.0 4.0 -27.7 40.9 53 54 A T H X S+ 0 0 2 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.886 114.8 48.3 -55.8 -44.4 5.0 -27.3 37.2 54 55 A I H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.922 110.4 50.9 -63.9 -48.2 3.9 -30.9 36.3 55 56 A N H X S+ 0 0 7 -4,-1.4 4,-2.9 -5,-0.3 5,-0.3 0.877 108.5 53.0 -53.9 -44.0 0.5 -30.5 38.1 56 57 A I H X S+ 0 0 27 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.937 112.7 42.9 -59.6 -47.9 -0.1 -27.3 36.1 57 58 A V H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 5,-0.4 0.907 116.2 49.5 -65.2 -41.5 0.6 -28.9 32.8 58 59 A F H X>S+ 0 0 8 -4,-2.7 4,-1.9 1,-0.2 5,-1.0 0.911 112.1 45.4 -66.0 -46.6 -1.4 -32.0 33.8 59 60 A Q H <5S+ 0 0 11 -4,-2.9 4,-0.4 4,-0.2 -1,-0.2 0.875 114.7 49.9 -64.4 -39.6 -4.6 -30.2 35.0 60 61 A R H <5S+ 0 0 77 -4,-1.8 -2,-0.2 -5,-0.3 -1,-0.2 0.923 126.5 19.2 -67.3 -48.4 -4.6 -27.9 31.9 61 62 A E H <5S+ 0 0 53 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.2 0.868 135.5 29.9 -94.3 -40.7 -4.3 -30.5 29.2 62 63 A L T <5S- 0 0 56 -4,-1.9 -3,-0.2 -5,-0.4 -2,-0.1 0.617 93.2-127.4-100.1 -16.1 -5.3 -33.8 30.7 63 64 A G S - 0 0 68 -2,-0.5 4,-2.0 1,-0.1 5,-0.1 -0.322 21.5-108.3 -75.1 163.7 0.4 -38.7 40.9 68 69 A Q H > S+ 0 0 132 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.806 121.1 50.4 -61.8 -34.4 3.5 -38.9 43.1 69 70 A E H > S+ 0 0 148 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.877 110.6 49.1 -69.4 -42.0 4.9 -41.7 40.9 70 71 A E H > S+ 0 0 64 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.792 110.0 53.1 -66.5 -33.4 4.3 -39.6 37.8 71 72 A I H X S+ 0 0 18 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.943 110.5 45.0 -65.3 -50.2 6.0 -36.6 39.5 72 73 A E H X S+ 0 0 125 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.848 114.8 47.8 -66.2 -38.0 9.2 -38.5 40.4 73 74 A S H X S+ 0 0 57 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.879 115.9 42.7 -71.6 -42.0 9.6 -40.1 36.9 74 75 A I H X S+ 0 0 6 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.910 115.6 49.9 -71.3 -40.6 9.0 -36.9 35.0 75 76 A Y H X S+ 0 0 102 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.878 112.4 47.9 -63.6 -37.3 11.2 -35.0 37.3 76 77 A H H X S+ 0 0 114 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.845 111.0 50.4 -70.3 -38.0 14.0 -37.7 37.0 77 78 A E H X S+ 0 0 73 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.933 112.2 47.5 -64.8 -43.8 13.6 -37.6 33.2 78 79 A K H X S+ 0 0 11 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.852 109.4 55.0 -62.0 -37.6 14.0 -33.8 33.2 79 80 A S H X S+ 0 0 37 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.849 105.5 52.1 -64.7 -37.5 17.0 -34.2 35.5 80 81 A I H X S+ 0 0 100 -4,-1.8 4,-1.0 2,-0.2 -2,-0.2 0.908 110.4 47.3 -65.9 -43.0 18.7 -36.5 33.0 81 82 A L H < S+ 0 0 56 -4,-1.8 3,-0.3 2,-0.2 4,-0.2 0.904 114.3 48.3 -62.4 -42.8 18.2 -34.0 30.2 82 83 A F H >< S+ 0 0 43 -4,-2.1 3,-1.5 1,-0.2 -2,-0.2 0.914 110.2 50.5 -62.8 -48.4 19.6 -31.2 32.5 83 84 A N H 3< S+ 0 0 114 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.629 96.7 69.7 -69.4 -15.9 22.6 -33.2 33.6 84 85 A S T 3< S+ 0 0 87 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.559 86.9 83.8 -79.5 -7.1 23.5 -34.1 30.0 85 86 A Y S < S- 0 0 75 -3,-1.5 3,-0.1 -4,-0.2 2,-0.0 -0.751 99.8 -94.1 -90.7 143.9 24.5 -30.4 29.6 86 87 A P - 0 0 96 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.357 62.2 -85.2 -52.4 130.8 27.9 -29.1 30.6 87 88 A E - 0 0 132 1,-0.1 -4,-0.1 -4,-0.1 -69,-0.0 -0.111 53.9 -99.9 -52.7 132.3 27.5 -27.8 34.2 88 89 A A - 0 0 8 -3,-0.1 -70,-0.2 1,-0.1 -1,-0.1 -0.117 38.9-140.9 -55.4 145.7 26.3 -24.2 34.2 89 90 A E - 0 0 152 -72,-0.3 -72,-2.8 1,-0.2 2,-0.1 -0.324 32.1 -63.3-105.3-176.4 28.9 -21.5 34.8 90 91 A R B -G 16 0B 127 -74,-0.2 -74,-0.3 -2,-0.1 -1,-0.2 -0.417 43.5-116.4 -76.9 142.0 28.9 -18.3 36.8 91 92 A M > - 0 0 15 -76,-2.9 3,-2.1 -2,-0.1 4,-0.4 -0.655 44.2-108.8 -66.2 120.4 26.7 -15.3 36.0 92 93 A P T 3 S+ 0 0 92 0, 0.0 120,-0.5 0, 0.0 119,-0.3 -0.336 103.8 22.3 -56.9 130.8 29.1 -12.5 35.0 93 94 A G T 3> S+ 0 0 1 118,-0.2 4,-2.5 119,-0.1 5,-0.2 0.095 93.1 102.3 98.9 -22.9 29.2 -9.9 37.8 94 95 A A H <> S+ 0 0 0 -3,-2.1 4,-2.7 2,-0.2 5,-0.2 0.941 84.7 44.7 -60.8 -50.7 28.0 -12.2 40.6 95 96 A W H > S+ 0 0 85 -4,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.893 115.5 48.6 -57.5 -42.9 31.5 -12.8 42.1 96 97 A E H > S+ 0 0 75 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.847 112.7 47.7 -66.8 -36.2 32.2 -9.0 41.8 97 98 A L H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 -2,-0.2 0.899 110.1 52.2 -69.9 -42.2 28.8 -8.1 43.4 98 99 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.872 107.2 53.7 -61.4 -39.2 29.4 -10.6 46.2 99 100 A Q H X S+ 0 0 83 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.909 111.5 44.8 -58.5 -45.9 32.8 -9.0 46.8 100 101 A K H X S+ 0 0 64 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.936 112.5 51.6 -64.7 -49.2 31.2 -5.6 47.2 101 102 A V H <>S+ 0 0 0 -4,-3.0 5,-2.1 1,-0.2 4,-0.3 0.897 114.2 42.9 -52.5 -48.8 28.4 -7.0 49.4 102 103 A K H ><5S+ 0 0 105 -4,-2.6 3,-1.4 1,-0.2 -1,-0.2 0.882 110.9 54.2 -70.0 -40.0 30.8 -8.6 51.8 103 104 A S H 3<5S+ 0 0 110 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.750 103.4 58.1 -65.0 -27.3 33.2 -5.6 51.9 104 105 A E T 3<5S- 0 0 71 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.628 123.1-110.7 -73.1 -15.8 30.2 -3.5 52.9 105 106 A G T < 5S+ 0 0 60 -3,-1.4 -3,-0.2 1,-0.3 2,-0.2 0.535 71.7 142.7 93.8 9.7 29.9 -5.9 55.9 106 107 A L < - 0 0 11 -5,-2.1 -1,-0.3 -6,-0.2 -100,-0.3 -0.537 53.9-116.8 -83.9 149.2 26.7 -7.4 54.5 107 108 A T E -a 6 0A 55 -102,-2.6 -100,-2.4 -2,-0.2 2,-0.5 -0.767 22.2-138.4 -90.3 116.2 26.0 -11.1 55.0 108 109 A P E -a 7 0A 9 0, 0.0 2,-0.3 0, 0.0 24,-0.3 -0.648 26.7-179.1 -76.0 123.2 25.7 -13.1 51.8 109 110 A M E -a 8 0A 1 -102,-3.0 -100,-3.2 -2,-0.5 2,-0.4 -0.908 15.6-148.1-117.3 150.1 22.8 -15.6 51.9 110 111 A V E -ac 9 136A 1 25,-1.2 27,-2.5 -2,-0.3 2,-0.4 -0.966 10.9-172.8-120.0 133.1 21.8 -18.1 49.2 111 112 A V E +ac 10 137A 0 -102,-3.3 -100,-0.9 -2,-0.4 2,-0.3 -0.992 19.1 147.5-124.2 127.4 18.2 -19.2 48.7 112 113 A T - 0 0 10 25,-2.4 -2,-0.0 -2,-0.4 -102,-0.0 -0.985 48.4-139.0-152.3 162.2 17.2 -22.1 46.3 113 114 A G + 0 0 51 -2,-0.3 25,-0.1 25,-0.1 -1,-0.0 0.378 66.5 124.0 -99.2 0.4 14.7 -24.9 45.7 114 115 A S - 0 0 23 1,-0.1 25,-2.0 25,-0.1 26,-0.3 -0.326 50.3-159.4 -65.4 141.7 17.5 -27.2 44.5 115 116 A G + 0 0 28 23,-0.2 -1,-0.1 24,-0.2 2,-0.1 -0.021 39.1 149.1-109.3 25.8 18.0 -30.5 46.2 116 117 A Q > - 0 0 75 2,-0.1 3,-0.6 1,-0.0 2,-0.3 -0.355 42.5-138.2 -57.8 132.0 21.6 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0.918 111.8 49.9 -61.0 -48.4 17.1 7.1 26.8 279 56 B N H X S+ 0 0 36 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.838 107.1 54.7 -59.7 -38.3 20.5 7.4 25.1 280 57 B I H X S+ 0 0 52 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.946 112.8 42.0 -62.9 -47.1 21.3 10.7 26.8 281 58 B V H X S+ 0 0 0 -4,-1.9 4,-3.1 1,-0.2 5,-0.5 0.931 116.7 49.4 -62.3 -46.1 20.7 9.1 30.2 282 59 B F H X>S+ 0 0 9 -4,-2.8 6,-1.5 1,-0.2 4,-1.3 0.823 111.8 48.2 -63.3 -35.9 22.6 6.0 29.2 283 60 B Q H X5S+ 0 0 109 -4,-2.5 4,-0.7 4,-0.2 -1,-0.2 0.916 118.2 40.7 -70.7 -41.4 25.5 8.0 27.9 284 61 B R H <5S+ 0 0 121 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.949 127.6 28.4 -71.8 -53.0 25.7 10.1 31.0 285 62 B E H <5S+ 0 0 73 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.1 0.831 134.7 24.8 -80.8 -36.9 25.1 7.4 33.7 286 63 B L H <5S- 0 0 65 -4,-1.3 -3,-0.2 -5,-0.5 -2,-0.1 0.597 88.9-128.4-110.8 -14.2 26.4 4.3 32.1 287 64 B G S < - 0 0 73 -2,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.393 22.9-105.4 -77.7 164.8 20.7 -0.8 22.2 292 69 B Q H > S+ 0 0 73 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.869 123.9 50.8 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