==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-MAR-08 3CIH . COMPND 2 MOLECULE: PUTATIVE ALPHA-RHAMNOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON VPI-5482; . AUTHOR D.KUMARAN,S.K.BURLEY,S.SWAMINATHAN,NEW YORK SGX RESEARCH . 714 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29697.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 488 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 172 24.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.1 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 . 57 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 166 23.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.8 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 1 0 0 1 1 1 1 2 1 0 0 2 0 1 1 0 1 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 1 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 . 6 8 2 8 3 4 1 1 1 1 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 1 0 2 2 0 0 0 1 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 18 A Q 0 0 77 0, 0.0 2,-0.3 0, 0.0 111,-0.2 0.000 360.0 360.0 360.0 157.0 28.8 51.9 20.2 2 19 A T - 0 0 10 109,-1.8 102,-0.4 102,-0.2 146,-0.2 -0.973 360.0 -79.0-161.4 162.5 31.2 49.4 18.7 3 20 A W - 0 0 0 144,-2.2 142,-0.6 -2,-0.3 2,-0.3 -0.514 52.8-163.9 -70.3 138.8 32.4 48.1 15.3 4 21 A I E +AB 102 144A 0 98,-2.1 98,-1.6 -2,-0.2 2,-0.3 -0.910 15.8 165.9-128.5 157.2 29.8 45.6 13.9 5 22 A W E - B 0 143A 1 138,-1.9 138,-3.6 -2,-0.3 96,-0.1 -0.877 50.9 -62.5-152.5 178.6 29.7 43.0 11.1 6 23 A Y S >> S- 0 0 17 94,-0.5 3,-1.7 -2,-0.3 4,-0.7 -0.612 73.9 -96.9 -71.0 125.2 27.7 40.0 9.8 7 24 A P T 34 S+ 0 0 1 0, 0.0 -1,-0.1 0, 0.0 135,-0.0 -0.118 103.8 8.0 -49.9 130.4 27.8 37.5 12.6 8 25 A G T 3> S+ 0 0 0 1,-0.1 4,-2.3 -3,-0.1 5,-0.2 0.026 105.3 95.4 88.1 -29.9 30.5 34.8 12.3 9 26 A D H <> S+ 0 0 2 -3,-1.7 4,-1.9 2,-0.2 5,-0.2 0.854 84.9 45.5 -64.4 -36.2 32.1 36.5 9.3 10 27 A Y H X S+ 0 0 1 -4,-0.7 4,-3.1 2,-0.2 5,-0.3 0.944 113.4 51.3 -70.4 -45.1 34.7 38.4 11.3 11 28 A E H > S+ 0 0 13 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.877 110.3 48.7 -56.2 -43.1 35.5 35.3 13.3 12 29 A I H X S+ 0 0 2 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.953 113.9 45.4 -65.0 -48.6 36.0 33.2 10.1 13 30 A W H X S+ 0 0 35 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.909 115.3 46.6 -60.9 -45.0 38.2 35.8 8.5 14 31 A L H X S+ 0 0 2 -4,-3.1 4,-1.8 1,-0.2 -1,-0.2 0.829 111.4 53.6 -68.1 -30.8 40.3 36.3 11.7 15 32 A G H X S+ 0 0 0 -4,-1.9 4,-2.8 -5,-0.3 5,-0.2 0.856 105.4 51.9 -71.4 -36.7 40.5 32.5 12.0 16 33 A N H X S+ 0 0 33 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.925 108.9 52.7 -64.1 -43.1 41.8 32.1 8.5 17 34 A Q H < S+ 0 0 74 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.913 114.9 39.7 -59.7 -43.7 44.5 34.6 9.3 18 35 A X H >< S+ 0 0 6 -4,-1.8 3,-2.1 1,-0.2 4,-0.2 0.948 114.1 50.8 -72.5 -50.1 45.6 32.8 12.5 19 36 A N H >< S+ 0 0 7 -4,-2.8 3,-1.7 1,-0.3 -2,-0.2 0.888 105.8 58.2 -54.4 -41.2 45.4 29.3 11.2 20 37 A N T 3< S+ 0 0 47 -4,-2.3 -1,-0.3 1,-0.3 9,-0.3 0.381 87.4 77.6 -74.8 7.8 47.4 30.2 8.1 21 38 A R T < + 0 0 68 -3,-2.1 -1,-0.3 300,-0.2 -2,-0.2 0.511 68.3 111.6 -90.6 -8.0 50.3 31.3 10.4 22 39 A R < - 0 0 11 -3,-1.7 7,-1.9 7,-0.2 2,-0.3 -0.397 48.6-175.4 -64.9 143.9 51.3 27.7 10.9 23 40 A T E -E 28 0B 24 295,-0.3 2,-0.4 5,-0.2 297,-0.2 -0.964 23.7-155.9-139.7 156.4 54.6 26.9 9.4 24 41 A E E > S-E 27 0B 68 3,-1.6 3,-2.0 -2,-0.3 195,-0.2 -0.969 83.2 -30.0-132.8 114.6 56.7 23.8 8.9 25 42 A R T 3 S- 0 0 94 193,-3.2 194,-0.2 -2,-0.4 3,-0.1 0.867 129.8 -39.9 41.8 52.0 60.4 24.5 8.5 26 43 A G T 3 S+ 0 0 26 194,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.448 111.2 118.3 84.8 1.0 59.7 27.9 6.8 27 44 A A E < -E 24 0B 56 -3,-2.0 -3,-1.6 208,-0.0 -1,-0.2 -0.886 68.3-115.4-111.2 133.0 56.8 26.9 4.7 28 45 A F E -E 23 0B 135 -2,-0.5 -5,-0.2 -5,-0.2 -7,-0.1 -0.309 33.3-165.9 -55.5 136.4 53.3 28.4 5.0 29 46 A F - 0 0 68 -7,-1.9 -7,-0.2 -9,-0.3 3,-0.1 -0.682 7.5-177.3-137.5 85.2 50.9 25.6 6.0 30 47 A P - 0 0 44 0, 0.0 -10,-0.1 0, 0.0 292,-0.0 -0.278 41.8 -80.5 -75.7 165.3 47.1 26.2 5.7 31 48 A P - 0 0 14 0, 0.0 4,-0.1 0, 0.0 -11,-0.0 -0.181 28.6-131.8 -61.6 159.3 44.5 23.6 6.9 32 49 A F S S+ 0 0 109 -3,-0.1 2,-0.2 2,-0.1 3,-0.1 0.592 86.3 78.9 -88.4 -12.5 43.7 20.6 4.7 33 50 A W S S- 0 0 41 1,-0.1 329,-0.0 327,-0.0 327,-0.0 -0.544 102.9 -71.6 -91.1 162.3 40.0 21.1 5.1 34 51 A K - 0 0 80 -2,-0.2 2,-0.5 1,-0.1 -1,-0.1 -0.210 43.2-139.8 -54.5 136.7 38.1 23.8 3.1 35 52 A T - 0 0 67 -4,-0.1 2,-0.1 -3,-0.1 -1,-0.1 -0.890 19.1-150.2-101.2 125.6 38.7 27.4 4.1 36 53 A D - 0 0 27 -2,-0.5 2,-0.3 315,-0.2 -20,-0.1 -0.446 4.9-142.7 -93.0 168.6 35.6 29.6 4.1 37 54 A S - 0 0 60 -2,-0.1 2,-0.1 -21,-0.0 -25,-0.0 -0.865 17.6-107.8-128.3 161.2 35.3 33.3 3.5 38 55 A H - 0 0 10 -2,-0.3 2,-0.4 58,-0.2 -30,-0.0 -0.396 49.2 -89.5 -81.2 164.6 33.2 36.2 4.8 39 56 A Y - 0 0 62 1,-0.1 -33,-0.1 -2,-0.1 -1,-0.1 -0.657 34.3-148.9 -74.9 127.6 30.4 37.7 2.7 40 57 A V S S+ 0 0 42 -2,-0.4 55,-2.4 1,-0.2 2,-0.4 0.561 81.4 39.2 -78.9 -8.4 32.0 40.5 0.6 41 58 A V E S+F 94 0C 58 53,-0.2 2,-0.3 78,-0.1 53,-0.2 -0.968 70.0 164.0-141.6 123.6 28.9 42.7 0.4 42 59 A V E -F 93 0C 2 51,-2.1 51,-2.9 -2,-0.4 2,-0.5 -0.980 28.0-137.0-139.2 148.3 26.6 43.1 3.3 43 60 A E E -FG 92 118C 9 75,-2.7 75,-1.4 -2,-0.3 2,-0.4 -0.940 13.2-161.4-111.8 126.3 23.9 45.7 4.2 44 61 A F E +FG 91 117C 0 47,-3.2 47,-3.3 -2,-0.5 2,-0.3 -0.844 19.2 173.9-101.1 138.3 23.7 47.1 7.7 45 62 A S E -FG 90 116C 3 71,-2.2 71,-2.2 -2,-0.4 2,-0.3 -0.993 18.6-177.2-147.8 155.4 20.4 48.7 8.7 46 63 A K E -F 89 0C 56 43,-1.9 43,-2.4 -2,-0.3 2,-0.5 -0.929 22.5-136.6-155.0 125.4 18.5 50.2 11.7 47 64 A V E -F 88 0C 92 -2,-0.3 2,-0.3 41,-0.2 41,-0.2 -0.725 31.4-160.5 -84.0 127.3 15.0 51.6 12.0 48 65 A L E -F 87 0C 6 39,-2.8 39,-2.7 -2,-0.5 2,-0.3 -0.859 26.8-177.7-117.5 147.6 15.0 54.9 13.9 49 66 A N E -F 86 0C 119 -2,-0.3 2,-0.4 37,-0.2 37,-0.2 -0.834 22.6-173.1-139.4 93.6 12.5 56.9 15.8 50 67 A L E -F 85 0C 11 35,-2.6 35,-3.7 -2,-0.3 -2,-0.0 -0.785 26.1-162.6 -99.4 135.0 14.2 60.1 17.0 51 68 A S S S+ 0 0 121 -2,-0.4 33,-0.1 1,-0.2 -1,-0.1 0.561 85.9 20.0 -85.6 -11.4 12.6 62.7 19.4 52 69 A E S S- 0 0 84 31,-0.2 -1,-0.2 33,-0.1 30,-0.1 -0.978 93.0 -93.2-157.4 144.3 15.3 65.2 18.3 53 70 A P + 0 0 78 0, 0.0 2,-0.3 0, 0.0 31,-0.1 -0.292 46.6 176.8 -59.8 139.4 17.7 65.6 15.4 54 71 A E E -C 82 0A 15 28,-1.9 28,-3.0 29,-0.1 2,-0.4 -0.993 24.9-130.6-145.8 150.6 21.2 64.2 15.9 55 72 A E E -C 81 0A 123 -2,-0.3 2,-0.4 26,-0.2 52,-0.3 -0.855 20.4-155.6-104.0 135.3 24.3 63.8 13.8 56 73 A V E -C 80 0A 1 24,-2.4 24,-1.7 -2,-0.4 2,-0.4 -0.865 11.0-136.0-112.6 146.2 26.1 60.5 13.5 57 74 A F E -CD 79 105A 71 48,-2.8 48,-2.0 -2,-0.4 2,-0.5 -0.805 23.8-157.5 -94.0 138.0 29.8 59.8 12.7 58 75 A I E + D 0 104A 1 20,-3.3 2,-0.3 -2,-0.4 46,-0.2 -0.976 17.5 168.2-126.0 127.4 30.3 57.0 10.2 59 76 A A E + D 0 103A 8 44,-2.6 44,-3.0 -2,-0.5 2,-0.3 -0.942 8.3 173.6-130.5 152.3 33.4 54.9 9.7 60 77 A A E - D 0 102A 11 -2,-0.3 2,-0.7 42,-0.3 42,-0.2 -0.995 34.6-130.0-159.9 152.7 33.8 51.7 7.7 61 78 A E E S+ D 0 101A 17 40,-2.6 40,-1.0 -2,-0.3 2,-0.2 -0.928 85.2 16.8-104.7 108.4 36.3 49.1 6.4 62 79 A G S S- 0 0 31 -2,-0.7 2,-0.3 38,-0.1 33,-0.2 -0.600 104.8 -47.3 121.7 176.7 35.5 48.8 2.7 63 80 A T E +H 94 0C 73 31,-2.4 31,-3.3 -2,-0.2 2,-0.3 -0.649 68.0 169.6 -82.7 140.4 33.7 50.7 0.0 64 81 A Y E -H 93 0C 27 -2,-0.3 2,-0.3 29,-0.2 29,-0.2 -0.951 29.6-151.3-151.0 167.9 30.2 51.8 1.1 65 82 A N E -H 92 0C 56 27,-1.5 27,-0.6 -2,-0.3 2,-0.4 -0.869 17.3-137.5-132.2 166.4 27.1 53.9 0.5 66 83 A V E -H 91 0C 0 9,-0.3 7,-3.1 7,-0.3 2,-0.5 -0.991 14.8-171.7-132.8 125.7 24.6 55.4 2.8 67 84 A K E -HI 90 72C 36 23,-3.2 23,-2.9 -2,-0.4 2,-0.5 -0.971 2.6-170.9-121.3 125.9 20.8 55.4 2.3 68 85 A L E > S-HI 89 71C 21 3,-2.1 3,-1.9 -2,-0.5 21,-0.2 -0.969 78.0 -20.8-118.0 116.4 18.4 57.3 4.5 69 86 A D T 3 S- 0 0 87 19,-2.5 -1,-0.2 -2,-0.5 20,-0.1 0.896 130.3 -47.8 53.1 45.5 14.7 56.5 3.9 70 87 A G T 3 S+ 0 0 56 18,-0.4 2,-0.7 1,-0.2 -1,-0.3 0.378 112.9 120.7 81.1 -4.8 15.4 55.1 0.5 71 88 A K E < -I 68 0C 149 -3,-1.9 -3,-2.1 0, 0.0 2,-0.3 -0.839 59.0-137.0-103.2 114.5 17.6 58.0 -0.6 72 89 A L E -I 67 0C 98 -2,-0.7 -5,-0.2 -5,-0.2 2,-0.1 -0.474 20.3-141.1 -66.5 123.5 21.2 57.4 -1.6 73 90 A Q - 0 0 65 -7,-3.1 -7,-0.3 -2,-0.3 2,-0.2 -0.360 31.0 -87.4 -79.2 165.2 23.6 60.0 -0.2 74 91 A F S S- 0 0 198 -2,-0.1 -1,-0.1 -9,-0.1 0, 0.0 -0.516 78.2 -42.1 -75.8 142.2 26.5 61.3 -2.2 75 92 A G S S- 0 0 43 -2,-0.2 -9,-0.3 1,-0.2 -2,-0.1 0.010 105.7 -33.5 44.8-134.0 29.8 59.4 -2.0 76 93 A X - 0 0 111 -11,-0.1 -1,-0.2 -13,-0.0 -11,-0.1 -0.748 67.1-161.0-124.1 82.2 31.0 58.1 1.4 77 94 A P - 0 0 29 0, 0.0 3,-0.1 0, 0.0 -4,-0.0 -0.343 15.6-159.3 -66.1 142.7 29.9 60.5 4.1 78 95 A E S S+ 0 0 129 1,-0.2 -20,-3.3 -21,-0.1 2,-0.3 0.518 81.8 28.4 -96.0 -10.3 31.7 60.4 7.4 79 96 A T E -C 57 0A 66 -22,-0.3 2,-0.3 25,-0.0 -22,-0.2 -0.988 64.8-172.6-147.6 150.0 28.7 62.2 9.1 80 97 A L E -C 56 0A 15 -24,-1.7 -24,-2.4 -2,-0.3 2,-0.5 -0.988 22.3-130.1-147.1 134.2 25.0 62.4 8.5 81 98 A L E -C 55 0A 106 -2,-0.3 -26,-0.2 -26,-0.2 -2,-0.0 -0.753 20.6-154.4 -87.7 126.6 22.3 64.5 10.1 82 99 A L E -C 54 0A 0 -28,-3.0 -28,-1.9 -2,-0.5 3,-0.1 -0.898 11.5-140.4-104.6 116.6 19.3 62.4 11.2 83 100 A P - 0 0 57 0, 0.0 -33,-0.3 0, 0.0 -31,-0.2 -0.148 30.6 -90.3 -66.3 166.5 16.0 64.4 11.4 84 101 A A S S+ 0 0 50 -33,-0.1 2,-0.2 -31,-0.1 -33,-0.2 -0.403 89.4 38.4 -75.7 157.6 13.4 63.8 14.1 85 102 A G E S-F 50 0C 27 -35,-3.7 -35,-2.6 -2,-0.1 2,-0.4 -0.621 103.6 -20.3 104.1-164.2 10.8 61.2 13.6 86 103 A K E +F 49 0C 172 -37,-0.2 2,-0.3 -2,-0.2 -37,-0.2 -0.735 67.4 153.4 -90.6 130.0 10.8 57.8 12.0 87 104 A H E -F 48 0C 21 -39,-2.7 -39,-2.8 -2,-0.4 2,-0.4 -0.900 36.6-132.2-144.0 172.7 13.6 56.9 9.5 88 105 A S E -F 47 0C 39 -2,-0.3 -19,-2.5 -41,-0.2 2,-0.6 -0.964 16.3-159.9-135.2 115.1 15.5 53.9 8.1 89 106 A L E -FH 46 68C 0 -43,-2.4 -43,-1.9 -2,-0.4 2,-0.5 -0.855 13.0-178.5 -98.1 122.0 19.3 54.1 8.0 90 107 A N E -FH 45 67C 21 -23,-2.9 -23,-3.2 -2,-0.6 2,-0.5 -0.975 8.8-178.0-127.4 123.9 20.9 51.6 5.5 91 108 A I E -FH 44 66C 0 -47,-3.3 -47,-3.2 -2,-0.5 2,-0.5 -0.942 7.0-166.5-124.5 109.7 24.6 51.2 5.0 92 109 A K E -FH 43 65C 69 -27,-0.6 -27,-1.5 -2,-0.5 2,-0.4 -0.849 11.5-166.9 -98.8 124.6 25.8 48.7 2.4 93 110 A V E -FH 42 64C 1 -51,-2.9 -51,-2.1 -2,-0.5 2,-0.5 -0.900 13.4-160.2-118.9 143.5 29.5 47.8 2.5 94 111 A W E +FH 41 63C 138 -31,-3.3 -31,-2.4 -2,-0.4 2,-0.3 -0.974 23.3 153.3-121.7 121.0 31.8 46.0 0.0 95 112 A N + 0 0 20 -55,-2.4 -2,-0.0 -2,-0.5 -34,-0.0 -0.788 14.2 166.8-153.8 104.5 35.0 44.5 1.2 96 113 A Q S S+ 0 0 121 -2,-0.3 -58,-0.2 1,-0.1 -1,-0.1 0.859 82.3 53.3 -82.1 -38.9 36.8 41.5 -0.4 97 114 A A S S+ 0 0 77 1,-0.1 -1,-0.1 -57,-0.1 -2,-0.1 0.885 124.6 1.3 -66.8 -44.9 40.1 42.0 1.5 98 115 A T S S- 0 0 25 -58,-0.1 -1,-0.1 -37,-0.0 3,-0.1 -0.913 100.6 -65.9-138.2 166.4 38.7 42.0 5.1 99 116 A P - 0 0 3 0, 0.0 56,-0.1 0, 0.0 -38,-0.1 -0.266 54.4-108.2 -58.4 133.2 35.2 41.7 6.6 100 117 A P + 0 0 4 0, 0.0 -94,-0.5 0, 0.0 2,-0.3 -0.430 55.6 164.4 -59.1 131.4 32.8 44.5 5.7 101 118 A T E - D 0 61A 2 -40,-1.0 -40,-2.6 -96,-0.1 2,-0.3 -0.990 20.8-162.3-155.5 145.9 32.3 46.4 9.0 102 119 A I E -AD 4 60A 0 -98,-1.6 -98,-2.1 -2,-0.3 2,-0.4 -0.905 10.3-154.1-132.2 161.1 31.0 49.8 10.1 103 120 A Y E + D 0 59A 5 -44,-3.0 -44,-2.6 -2,-0.3 2,-0.4 -0.982 16.6 179.4-135.2 117.0 31.2 52.1 13.1 104 121 A V E + D 0 58A 0 -2,-0.4 7,-2.1 -102,-0.4 2,-0.4 -0.970 2.6 179.7-121.8 136.2 28.3 54.5 13.8 105 122 A K E + D 0 57A 100 -48,-2.0 -48,-2.8 -2,-0.4 2,-0.2 -0.977 15.8 130.1-143.4 129.3 28.2 57.0 16.7 106 123 A G - 0 0 18 -2,-0.4 -50,-0.1 3,-0.4 -2,-0.0 -0.800 68.4 -78.0-152.4-168.8 25.7 59.5 17.8 107 124 A K S S- 0 0 154 -52,-0.3 -1,-0.1 -2,-0.2 3,-0.1 0.936 124.7 -7.2 -69.5 -44.5 23.8 60.7 20.9 108 125 A T S S+ 0 0 83 1,-0.1 2,-0.8 -3,-0.0 -1,-0.1 0.598 120.7 81.6-123.3 -23.7 21.3 57.8 20.6 109 126 A V + 0 0 5 -54,-0.1 -3,-0.4 -61,-0.0 2,-0.3 -0.790 58.1 154.9 -91.5 111.1 22.1 56.1 17.3 110 127 A N - 0 0 30 -2,-0.8 2,-0.2 -5,-0.2 -5,-0.2 -0.998 46.5-107.8-141.2 140.6 25.0 53.8 17.7 111 128 A S + 0 0 0 -7,-2.1 -109,-1.8 -2,-0.3 2,-0.3 -0.459 61.4 123.7 -67.2 128.0 26.3 50.6 15.9 112 129 A D S > S- 0 0 55 -2,-0.2 3,-2.1 -111,-0.2 30,-0.3 -0.941 76.5 -65.7-166.1-176.5 25.8 47.5 18.0 113 130 A S T 3 S+ 0 0 55 1,-0.3 29,-0.2 -2,-0.3 -2,-0.1 0.550 117.3 75.3 -63.7 -6.0 24.1 44.1 18.0 114 131 A S T 3 S+ 0 0 61 27,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.567 79.5 95.3 -81.7 -7.2 20.7 45.6 17.8 115 132 A W S < S- 0 0 1 -3,-2.1 27,-3.1 -69,-0.1 2,-0.4 -0.531 73.9-130.6 -81.4 150.8 21.4 46.4 14.1 116 133 A R E -GJ 45 141C 96 -71,-2.2 -71,-2.2 25,-0.2 2,-0.3 -0.811 20.9-169.4-105.4 143.9 20.3 44.0 11.4 117 134 A V E +GJ 44 140C 0 23,-2.5 23,-1.7 -2,-0.4 2,-0.3 -0.960 8.6 171.1-131.8 149.6 22.5 42.7 8.6 118 135 A T E -G 43 0C 9 -75,-1.4 -75,-2.7 -2,-0.3 3,-0.2 -0.982 29.0-150.3-151.4 152.7 21.7 40.7 5.4 119 136 A Y S S+ 0 0 113 -2,-0.3 -78,-0.1 1,-0.2 2,-0.1 0.195 95.5 39.2-109.9 16.1 23.7 39.7 2.4 120 137 A E + 0 0 110 18,-0.3 18,-0.3 -77,-0.1 -1,-0.2 -0.479 54.5 165.9-164.1 81.5 20.7 39.8 0.1 121 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-53,-0.1 -54,-1.0 0.444 134.4 1.2-141.3 -72.8 39.7 29.1 34.5 339 356 A F T <5 - 0 0 5 -4,-0.5 -57,-0.2 -56,-0.2 -3,-0.2 0.787 67.2-151.3 -96.7 -33.2 39.2 32.3 32.4 340 357 A F < + 0 0 15 -5,-3.2 2,-1.3 1,-0.2 3,-0.2 0.949 28.5 171.4 55.1 50.6 35.5 32.0 31.6 341 358 A D > + 0 0 26 1,-0.2 4,-1.4 -6,-0.1 3,-0.4 -0.714 9.2 175.4 -92.3 84.9 36.2 33.8 28.4 342 359 A S H > S+ 0 0 25 -2,-1.3 4,-2.0 1,-0.2 -1,-0.2 0.809 74.8 60.6 -61.9 -31.8 32.8 33.4 26.7 343 360 A E H > S+ 0 0 67 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.904 104.3 48.6 -64.2 -41.3 33.8 35.6 23.8 344 361 A S H > S+ 0 0 0 -3,-0.4 4,-2.1 2,-0.2 -31,-0.4 0.849 108.4 55.2 -66.6 -35.2 36.6 33.2 22.8 345 362 A V H X S+ 0 0 0 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.940 110.3 44.9 -63.0 -47.0 34.2 30.3 23.0 346 363 A K H X S+ 0 0 40 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.890 111.1 52.7 -64.5 -42.6 31.8 31.8 20.6 347 364 A R H X S+ 0 0 5 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.931 111.8 46.3 -60.4 -43.1 34.6 32.9 18.2 348 365 A T H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 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27.5 171.6 -81.8 123.3 28.8 21.7 4.1 359 376 A T - 0 0 85 -2,-0.5 2,-0.3 1,-0.3 -1,-0.1 0.454 62.0 -10.2-112.0 -4.9 31.4 19.6 2.2 360 377 A S S S- 0 0 30 -326,-0.0 -1,-0.3 5,-0.0 3,-0.1 -0.978 83.0 -67.8-176.4 171.6 32.6 17.4 5.1 361 378 A H S > S- 0 0 5 -2,-0.3 3,-3.1 3,-0.3 5,-0.2 -0.214 77.6 -65.6 -66.4 165.0 32.6 16.8 8.8 362 379 A S G > S- 0 0 6 1,-0.3 3,-2.1 3,-0.3 6,-0.2 -0.356 127.0 -6.7 -56.1 120.6 34.3 19.3 11.1 363 380 A N G 3 S- 0 0 7 1,-0.3 -1,-0.3 -11,-0.2 3,-0.1 0.725 124.2 -76.5 61.3 19.1 38.1 19.1 10.3 364 381 A T G < S+ 0 0 26 -3,-3.1 56,-1.9 1,-0.2 2,-0.6 0.396 105.6 128.6 70.0 0.9 36.8 16.1 8.1 365 382 A I B X> -b 420 0I 1 -3,-2.1 4,-1.2 54,-0.2 3,-0.6 -0.762 53.9-150.4 -93.4 119.3 36.5 14.1 11.3 366 383 A X H >> S+ 0 0 5 54,-1.9 4,-1.0 -2,-0.6 3,-0.9 0.907 97.8 45.8 -51.5 -53.5 33.2 12.4 12.0 367 384 A D H 3> S+ 0 0 0 53,-0.4 4,-1.7 1,-0.2 -1,-0.3 0.777 106.6 63.0 -64.5 -22.3 33.4 12.4 15.8 368 385 A Y H <> S+ 0 0 4 -3,-0.6 4,-1.9 -6,-0.2 -1,-0.2 0.784 94.7 58.8 -73.7 -25.4 34.5 16.1 15.6 369 386 A T H X S+ 0 0 1 -4,-1.5 4,-1.1 1,-0.2 3,-0.8 0.951 114.5 47.6 -59.3 -51.0 27.1 20.2 18.3 374 391 A L H 3X S+ 0 0 12 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.862 104.1 60.9 -59.6 -38.2 27.7 19.3 21.9 375 392 A S H 3X S+ 0 0 2 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.800 99.1 57.6 -62.2 -29.3 29.9 22.3 22.5 376 393 A V H + 0 0 34 -6,-0.4 4,-1.1 1,-0.2 3,-0.3 -0.489 7.6 161.8 -75.9 79.2 23.7 32.9 26.1 386 403 A R H > + 0 0 119 -2,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.869 68.8 64.7 -66.1 -38.6 20.5 32.0 24.3 387 404 A H H > S+ 0 0 71 1,-0.2 4,-2.0 -3,-0.2 -1,-0.2 0.883 99.3 53.4 -52.8 -42.5 21.0 34.7 21.7 388 405 A F H > S+ 0 0 3 -3,-0.3 4,-2.2 1,-0.2 5,-0.2 0.934 106.9 50.2 -60.7 -47.4 24.1 32.9 20.4 389 406 A V H X S+ 0 0 0 -4,-1.1 4,-2.4 1,-0.2 -1,-0.2 0.922 109.3 52.7 -58.3 -42.8 22.2 29.7 20.0 390 407 A N H < S+ 0 0 51 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.875 111.2 46.5 -59.8 -40.1 19.5 31.5 18.0 391 408 A Q H < S+ 0 0 20 -4,-2.0 4,-0.3 -5,-0.2 -1,-0.2 0.844 117.6 41.6 -71.8 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4.9 11.2 412 429 A X - 0 0 0 -6,-0.0 -4,-2.6 31,-0.0 2,-0.5 -0.613 62.7-107.2-108.2 170.9 23.7 4.7 12.5 413 430 A V B +C 407 0J 6 -6,-0.2 23,-0.4 -2,-0.2 2,-0.4 -0.876 31.3 178.5-108.1 130.0 26.8 6.4 11.1 414 431 A E - 0 0 74 -8,-0.6 21,-0.1 -2,-0.5 19,-0.1 -0.962 42.9 -93.2-124.0 142.9 29.6 4.5 9.3 415 432 A G - 0 0 40 19,-0.5 2,-0.2 17,-0.4 19,-0.2 -0.312 49.0-167.1 -57.0 128.5 32.8 6.1 7.9 416 433 A X > - 0 0 97 1,-0.1 3,-2.4 -2,-0.0 -1,-0.0 -0.584 38.7 -54.6-110.9 176.2 32.2 7.0 4.3 417 434 A S T 3 S+ 0 0 121 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 -0.261 127.1 12.8 -54.4 124.6 34.5 8.1 1.5 418 435 A G T 3 S+ 0 0 68 1,-0.3 -1,-0.3 -3,-0.1 2,-0.1 0.198 99.0 123.9 94.0 -18.1 36.6 11.1 2.6 419 436 A D < - 0 0 29 -3,-2.4 2,-0.5 -54,-0.1 -1,-0.3 -0.452 52.2-146.9 -77.5 151.9 35.6 10.8 6.2 420 437 A W B -b 365 0I 80 -56,-1.9 -54,-1.9 -2,-0.1 2,-1.0 -0.978 5.8-162.9-118.1 111.3 38.2 10.5 9.0 421 438 A V + 0 0 12 -2,-0.5 -56,-0.1 -56,-0.2 -6,-0.0 -0.855 24.9 163.2 -96.1 99.0 36.9 8.3 11.9 422 439 A F + 0 0 4 -2,-1.0 2,-2.4 1,-0.2 -1,-0.2 0.975 13.4 159.0 -82.3 -67.6 39.4 9.4 14.6 423 440 A V S S- 0 0 0 2,-0.1 2,-0.3 9,-0.0 -1,-0.2 -0.463 70.5 -30.8 71.8 -71.0 38.3 8.5 18.1 424 441 A D - 0 0 5 -2,-2.4 2,-1.3 6,-0.0 6,-0.1 -0.977 62.3 -91.6-166.4 169.1 41.8 8.7 19.6 425 442 A W + 0 0 65 -2,-0.3 113,-0.3 1,-0.1 -2,-0.1 -0.753 55.7 155.7 -92.9 86.7 45.5 8.2 19.0 426 443 A A > - 0 0 6 -2,-1.3 3,-1.8 111,-0.1 -1,-0.1 -0.167 65.6-101.1-108.2 37.1 45.6 4.6 20.1 427 444 A D T 3 S- 0 0 102 1,-0.3 -2,-0.1 2,-0.1 0, 0.0 0.609 75.6 -59.4 56.3 18.2 48.7 3.6 18.2 428 445 A G T 3 S+ 0 0 78 2,-0.0 -1,-0.3 3,-0.0 -3,-0.0 0.582 107.4 117.0 91.6 10.5 46.7 1.9 15.4 429 446 A Y < + 0 0 176 -3,-1.8 2,-0.5 2,-0.1 -2,-0.1 0.586 51.5 93.3 -86.3 -10.9 44.9 -0.7 17.6 430 447 A L - 0 0 17 -6,-0.1 2,-0.3 -4,-0.1 -4,-0.1 -0.750 69.4-139.4 -93.1 122.1 41.4 0.7 16.9 431 448 A D - 0 0 54 -2,-0.5 -2,-0.1 1,-0.1 -3,-0.0 -0.595 14.8-171.3 -74.0 131.3 39.2 -0.7 14.1 432 449 A K + 0 0 71 -2,-0.3 -17,-0.4 4,-0.0 4,-0.2 0.413 50.3 100.7-106.0 -0.0 37.5 2.2 12.2 433 450 A K S S+ 0 0 144 2,-0.1 60,-0.1 -19,-0.1 2,-0.1 -0.421 73.4 7.5 -85.3 160.6 35.2 0.1 10.0 434 451 A G S S- 0 0 11 -19,-0.2 2,-0.7 -2,-0.1 -19,-0.5 -0.369 114.1 -25.3 74.5-151.7 31.5 -0.6 10.6 435 452 A E E -D 493 0K 7 58,-3.0 58,-2.0 -21,-0.1 2,-0.3 -0.884 62.3-152.3-103.3 104.2 29.4 1.0 13.3 436 453 A L E > -D 492 0K 4 -2,-0.7 4,-1.6 -23,-0.4 56,-0.3 -0.630 11.5-141.7 -77.6 134.2 31.5 2.1 16.2 437 454 A S H > S+ 0 0 1 54,-2.1 4,-1.9 -2,-0.3 5,-0.2 0.877 102.4 57.6 -60.4 -38.9 29.6 2.1 19.4 438 455 A F H > S+ 0 0 1 53,-0.6 4,-2.2 1,-0.2 -1,-0.2 0.921 105.5 48.1 -59.1 -46.6 31.5 5.2 20.4 439 456 A E H > S+ 0 0 1 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.846 110.6 50.2 -65.5 -34.7 30.3 7.1 17.3 440 457 A Q H X S+ 0 0 0 -4,-1.6 4,-2.9 2,-0.2 -1,-0.2 0.846 108.9 53.1 -72.8 -32.8 26.6 6.2 17.8 441 458 A V H X S+ 0 0 2 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.951 114.2 41.5 -64.8 -47.3 26.8 7.3 21.4 442 459 A L H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.902 115.3 51.1 -65.8 -41.2 28.2 10.7 20.2 443 460 A F H X S+ 0 0 3 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.936 109.1 50.3 -61.3 -46.6 25.7 10.8 17.4 444 461 A C H X S+ 0 0 0 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.888 110.5 49.9 -59.5 -40.3 22.8 10.1 19.7 445 462 A R H X S+ 0 0 78 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.855 107.3 55.2 -67.0 -34.3 24.0 12.8 22.0 446 463 A S H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.882 107.6 48.7 -64.9 -40.8 24.2 15.2 19.0 447 464 A L H X S+ 0 0 2 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.855 111.9 49.0 -68.0 -36.8 20.5 14.5 18.1 448 465 A E H X S+ 0 0 42 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.891 111.8 50.1 -69.3 -37.2 19.5 15.1 21.7 449 466 A T H X S+ 0 0 6 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.927 110.1 49.2 -64.6 -46.0 21.5 18.3 21.6 450 467 A X H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.838 110.2 52.2 -62.2 -34.0 19.9 19.4 18.4 451 468 A A H X S+ 0 0 6 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.929 110.6 47.0 -68.3 -44.0 16.5 18.6 20.0 452 469 A L H X S+ 0 0 75 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.829 115.6 45.8 -66.1 -32.7 17.3 20.8 23.0 453 470 A C H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.864 109.3 53.8 -78.3 -36.0 18.6 23.6 20.8 454 471 A A H X>S+ 0 0 0 -4,-2.3 5,-2.2 2,-0.2 4,-1.1 0.911 110.6 49.0 -60.6 -41.8 15.6 23.4 18.5 455 472 A D H <5S+ 0 0 77 -4,-2.1 3,-0.4 3,-0.2 -2,-0.2 0.924 109.3 51.8 -63.3 -46.0 13.4 23.8 21.6 456 473 A L H <5S+ 0 0 33 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.890 115.1 40.8 -60.6 -40.9 15.4 26.7 22.8 457 474 A V H <5S- 0 0 35 -4,-2.4 -1,-0.2 2,-0.1 -2,-0.2 0.602 115.4-112.9 -86.0 -9.2 15.1 28.6 19.5 458 475 A G T <5 + 0 0 48 -4,-1.1 2,-1.3 -3,-0.4 -3,-0.2 0.652 66.3 143.2 90.8 14.9 11.4 27.6 19.0 459 476 A D >< + 0 0 39 -5,-2.2 4,-2.3 -6,-0.2 -1,-0.2 -0.725 17.9 171.2 -89.3 90.3 11.8 25.3 16.0 460 477 A K H > S+ 0 0 115 -2,-1.3 4,-2.4 2,-0.2 5,-0.2 0.852 72.4 55.1 -72.2 -36.2 9.1 22.8 16.9 461 478 A D H > S+ 0 0 136 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.937 114.1 43.6 -60.7 -44.2 9.1 20.9 13.6 462 479 A G H > S+ 0 0 6 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.935 110.1 55.5 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46.6 10.8 25.3 540 557 A P H > S+ 0 0 0 0, 0.0 4,-1.6 0, 0.0 3,-0.2 0.885 102.9 72.3 -61.1 -32.5 45.7 13.4 27.9 541 558 A Y H > S+ 0 0 0 39,-0.4 4,-0.6 1,-0.2 3,-0.1 0.875 105.0 30.2 -45.1 -56.3 42.7 14.0 25.5 542 559 A X H > S+ 0 0 0 -3,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.644 110.6 65.6 -85.9 -14.1 40.8 10.8 26.3 543 560 A R H X S+ 0 0 18 -4,-1.3 4,-2.8 2,-0.2 5,-0.4 0.796 92.5 66.9 -73.7 -25.0 42.0 10.5 29.9 544 561 A F H X S+ 0 0 0 -4,-1.6 4,-1.3 1,-0.2 -1,-0.2 0.965 111.9 31.1 -53.1 -54.7 40.0 13.7 30.3 545 562 A Y H X S+ 0 0 9 -4,-0.6 4,-2.1 2,-0.2 -2,-0.2 0.818 116.8 56.4 -76.3 -35.6 36.8 11.6 29.6 546 563 A E H X S+ 0 0 4 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.968 114.0 40.2 -61.3 -51.2 38.1 8.3 31.1 547 564 A L H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.806 111.0 58.4 -67.3 -31.2 38.8 10.0 34.4 548 565 A E H X S+ 0 0 8 -4,-1.3 4,-2.4 -5,-0.4 -1,-0.2 0.903 104.2 51.9 -65.3 -40.1 35.6 12.0 34.2 549 566 A A H X S+ 0 0 0 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.946 110.2 48.4 -60.0 -47.6 33.6 8.8 34.0 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