==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 16-FEB-09 3GA5 . COMPND 2 MOLECULE: D-GALACTOSE-BINDING PERIPLASMIC PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR S.SOORIYAARACHCHI,W.UBHAYASEKERA,S.L.MOWBRAY . 610 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24359.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 474 77.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 92 15.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 2.3 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 . 2 0.3 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 . 44 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 77 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 220 36.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 2 0 0 0 0 3 0 1 0 5 1 0 6 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 4 6 0 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 PARALLEL BRIDGES PER LADDER . 3 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 2 0 0 0 0 0 0 0 0 1 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 3 A T 0 0 67 0, 0.0 32,-2.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 105.4 12.8 17.0 -11.2 2 4 A R E -a 33 0A 70 55,-0.3 57,-2.9 30,-0.2 58,-0.8 -0.768 360.0-170.2 -98.4 130.7 10.5 17.2 -8.2 3 5 A I E -ab 34 60A 2 30,-2.6 32,-2.7 -2,-0.4 2,-0.3 -0.977 13.6-142.7-124.2 121.9 8.2 14.3 -7.3 4 6 A G E -ab 35 61A 0 56,-2.3 58,-3.1 -2,-0.5 2,-0.4 -0.676 19.3-172.0 -84.9 138.0 5.5 14.4 -4.7 5 7 A V E -ab 36 62A 1 30,-2.4 32,-1.6 -2,-0.3 2,-0.4 -0.996 8.5-167.7-133.7 126.3 4.9 11.3 -2.6 6 8 A T E -ab 37 63A 0 56,-2.0 58,-1.9 -2,-0.4 2,-0.4 -0.946 4.0-163.5-112.8 138.5 2.2 10.6 -0.1 7 9 A I E -a 38 0A 0 30,-2.2 32,-2.4 -2,-0.4 33,-0.3 -0.987 25.4-131.3-117.6 126.6 2.3 7.6 2.3 8 10 A Y S S- 0 0 1 -2,-0.4 33,-3.0 1,-0.2 34,-0.4 0.847 86.9 -14.2 -59.0 -36.4 -1.1 6.9 3.8 9 11 A K > - 0 0 17 31,-0.2 3,-1.7 30,-0.1 -1,-0.2 -0.828 52.3-145.2-160.7 131.5 0.4 6.8 7.3 10 12 A Y T 3 S+ 0 0 60 1,-0.3 -2,-0.1 -3,-0.3 9,-0.1 0.782 98.0 72.9 -62.5 -25.3 4.0 6.5 8.3 11 13 A D T 3 S+ 0 0 135 4,-0.1 2,-0.5 -3,-0.1 -1,-0.3 0.619 71.9 103.7 -62.3 -16.4 2.8 4.4 11.3 12 14 A D <> - 0 0 13 -3,-1.7 4,-1.6 1,-0.1 -3,-0.1 -0.610 66.7-146.6 -80.4 123.0 2.1 1.5 8.9 13 15 A N H > S+ 0 0 46 -2,-0.5 4,-1.3 168,-0.3 3,-0.2 0.912 93.5 39.3 -56.1 -56.1 4.8 -1.2 9.3 14 16 A F H > S+ 0 0 10 1,-0.2 4,-2.0 2,-0.2 3,-0.3 0.895 113.7 53.7 -66.0 -40.5 5.0 -2.5 5.7 15 17 A M H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.779 101.6 63.3 -67.8 -20.9 4.5 0.9 4.1 16 18 A S H X S+ 0 0 24 -4,-1.6 4,-2.2 -3,-0.2 -1,-0.2 0.926 103.5 46.5 -60.6 -46.6 7.5 1.9 6.3 17 19 A V H X S+ 0 0 55 -4,-1.3 4,-2.1 -3,-0.3 -2,-0.2 0.946 115.1 46.7 -61.4 -46.9 9.7 -0.6 4.4 18 20 A V H X S+ 0 0 2 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.907 111.1 51.6 -61.2 -45.3 8.3 0.6 1.1 19 21 A R H X S+ 0 0 38 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.920 109.8 47.9 -59.6 -48.1 8.8 4.3 2.0 20 22 A K H X S+ 0 0 122 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.911 110.9 52.2 -62.8 -40.4 12.4 3.9 3.0 21 23 A A H X S+ 0 0 13 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.920 110.8 47.5 -60.4 -43.8 13.1 1.9 -0.2 22 24 A I H X S+ 0 0 2 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.909 110.5 52.0 -62.5 -44.7 11.6 4.7 -2.3 23 25 A E H X S+ 0 0 60 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.917 105.8 54.4 -59.8 -41.3 13.6 7.4 -0.4 24 26 A K H X S+ 0 0 164 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.920 107.6 50.8 -56.5 -46.1 16.8 5.4 -1.0 25 27 A D H X S+ 0 0 31 -4,-1.8 4,-1.3 1,-0.2 -1,-0.2 0.886 112.3 48.0 -55.4 -42.8 16.0 5.5 -4.8 26 28 A G H < S+ 0 0 7 -4,-2.0 6,-0.3 2,-0.2 -2,-0.2 0.900 108.2 51.7 -69.6 -43.3 15.4 9.3 -4.5 27 29 A K H < S+ 0 0 185 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.884 111.1 50.6 -56.7 -40.2 18.6 10.1 -2.6 28 30 A S H < S+ 0 0 96 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.769 91.4 81.4 -74.8 -30.4 20.6 8.2 -5.2 29 31 A A >< - 0 0 15 -4,-1.3 3,-1.2 1,-0.2 -1,-0.0 -0.696 64.5-163.3 -79.1 109.2 19.1 9.9 -8.2 30 32 A P T 3 S+ 0 0 132 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.822 87.7 52.2 -64.6 -25.3 21.1 13.2 -8.4 31 33 A D T 3 S+ 0 0 74 -3,-0.1 2,-0.4 2,-0.0 -2,-0.1 0.475 99.7 74.4 -89.1 -2.7 18.5 14.7 -10.7 32 34 A V < - 0 0 13 -3,-1.2 2,-0.5 -6,-0.3 -30,-0.2 -0.901 52.9-166.6-121.2 139.7 15.4 14.0 -8.5 33 35 A Q E -a 2 0A 109 -32,-2.4 -30,-2.6 -2,-0.4 2,-0.4 -0.984 14.0-151.5-121.8 120.3 14.0 15.5 -5.3 34 36 A L E -a 3 0A 33 -2,-0.5 2,-0.8 -32,-0.2 -30,-0.2 -0.755 2.8-153.4 -89.4 135.1 11.2 13.6 -3.5 35 37 A L E -a 4 0A 26 -32,-2.7 -30,-2.4 -2,-0.4 2,-0.3 -0.890 22.8-153.3-106.3 100.2 8.8 15.7 -1.4 36 38 A M E -a 5 0A 51 -2,-0.8 2,-0.4 -32,-0.2 -30,-0.2 -0.553 13.4-172.4 -84.5 135.1 7.7 13.2 1.3 37 39 A N E -a 6 0A 30 -32,-1.6 -30,-2.2 -2,-0.3 2,-0.7 -0.986 19.6-153.9-131.0 131.0 4.3 13.4 3.0 38 40 A D E -a 7 0A 50 -2,-0.4 -30,-0.2 -32,-0.2 -29,-0.1 -0.901 8.7-166.3 -95.3 112.8 2.8 11.6 5.9 39 41 A S > - 0 0 0 -32,-2.4 3,-1.4 -2,-0.7 7,-0.3 0.492 27.4-135.8 -80.1 -4.3 -1.0 11.7 5.4 40 42 A Q T 3 - 0 0 111 -33,-0.3 -31,-0.2 1,-0.3 -32,-0.1 0.821 59.0 -65.7 56.9 35.2 -1.6 10.5 9.0 41 43 A N T 3 S+ 0 0 71 -33,-3.0 2,-0.4 -34,-0.2 -1,-0.3 0.801 110.4 114.4 61.1 32.6 -4.3 8.0 8.0 42 44 A D <> - 0 0 56 -3,-1.4 4,-2.1 -34,-0.4 3,-0.3 -0.937 52.6-160.6-140.1 109.5 -6.6 10.8 6.8 43 45 A Q H > S+ 0 0 26 -2,-0.4 4,-2.8 1,-0.2 5,-0.2 0.850 94.7 56.7 -61.3 -32.7 -7.7 11.2 3.2 44 46 A S H > S+ 0 0 71 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.900 107.6 48.5 -68.6 -34.9 -8.7 14.8 3.7 45 47 A K H > S+ 0 0 88 -3,-0.3 4,-2.1 -6,-0.2 -1,-0.2 0.900 111.5 51.0 -64.6 -39.8 -5.2 15.6 5.0 46 48 A Q H X S+ 0 0 0 -4,-2.1 4,-2.4 -7,-0.3 -2,-0.2 0.926 106.8 52.9 -63.1 -43.8 -3.8 13.8 1.9 47 49 A N H X S+ 0 0 31 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.904 110.4 47.7 -61.1 -41.9 -6.0 15.8 -0.4 48 50 A D H X S+ 0 0 104 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.866 110.1 52.6 -62.6 -40.9 -4.7 19.0 1.1 49 51 A Q H X S+ 0 0 38 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.866 107.6 51.9 -63.1 -38.1 -1.1 17.7 0.8 50 52 A I H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.913 107.0 52.9 -65.9 -41.3 -1.7 17.0 -2.9 51 53 A D H X S+ 0 0 72 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.935 110.6 47.9 -56.4 -45.7 -3.0 20.5 -3.4 52 54 A V H X S+ 0 0 76 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.921 109.8 52.1 -63.5 -43.3 0.2 21.9 -1.8 53 55 A L H X>S+ 0 0 2 -4,-2.3 5,-1.2 1,-0.2 4,-0.7 0.926 112.4 45.1 -57.7 -47.1 2.4 19.6 -3.9 54 56 A L H ><5S+ 0 0 12 -4,-2.5 3,-0.5 1,-0.2 -1,-0.2 0.854 110.0 54.4 -69.3 -33.9 0.8 20.7 -7.1 55 57 A A H 3<5S+ 0 0 89 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.862 106.9 52.8 -64.3 -32.9 0.9 24.4 -6.1 56 58 A K H 3<5S- 0 0 131 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.598 120.6-111.8 -80.9 -14.2 4.7 23.9 -5.5 57 59 A G T <<5 + 0 0 33 -4,-0.7 -55,-0.3 -3,-0.5 -3,-0.2 0.840 44.4 180.0 93.4 39.5 5.0 22.5 -9.1 58 60 A V < - 0 0 3 -5,-1.2 -55,-0.2 1,-0.1 -1,-0.1 -0.294 25.8-144.3 -67.6 155.7 5.9 18.8 -9.0 59 61 A K S S+ 0 0 118 -57,-2.9 2,-0.3 1,-0.2 -56,-0.2 0.531 81.0 8.5 -97.6 -12.9 6.4 16.9 -12.3 60 62 A A E -b 3 0A 1 -58,-0.8 -56,-2.3 23,-0.2 2,-0.4 -0.975 64.0-140.3-158.7 160.3 4.8 13.6 -11.0 61 63 A L E -bc 4 85A 0 23,-2.0 25,-3.1 -2,-0.3 2,-0.5 -0.987 3.7-164.6-125.7 137.6 2.9 12.3 -8.0 62 64 A A E -bc 5 86A 3 -58,-3.1 -56,-2.0 -2,-0.4 2,-0.5 -0.982 23.9-168.6-119.1 113.5 3.4 8.9 -6.3 63 65 A I E -bc 6 87A 0 23,-1.8 25,-2.0 -2,-0.5 2,-0.8 -0.923 26.6-170.3-120.0 118.1 0.4 8.4 -4.2 64 66 A N - 0 0 0 -58,-1.9 25,-0.1 -2,-0.5 23,-0.1 -0.892 36.4-138.5 -98.7 100.1 -0.3 5.8 -1.5 65 67 A L - 0 0 0 -2,-0.8 -57,-0.2 25,-0.3 -22,-0.1 -0.220 18.6-152.9 -65.8 143.5 -4.0 6.5 -0.9 66 68 A V S S+ 0 0 17 1,-0.3 -1,-0.1 -58,-0.1 3,-0.1 0.944 96.7 27.2 -71.9 -52.1 -5.6 6.5 2.5 67 69 A D S > S- 0 0 78 1,-0.1 3,-3.0 23,-0.0 -1,-0.3 -0.936 73.6-148.9-114.4 114.8 -8.9 5.5 0.8 68 70 A P G > S+ 0 0 22 0, 0.0 3,-1.2 0, 0.0 25,-0.3 0.778 97.8 63.9 -46.7 -30.0 -8.8 3.5 -2.4 69 71 A A G > S+ 0 0 82 1,-0.3 3,-0.5 2,-0.1 4,-0.3 0.651 86.7 69.9 -77.3 -13.3 -12.0 5.2 -3.4 70 72 A A G <> + 0 0 11 -3,-3.0 4,-2.2 1,-0.2 -1,-0.3 0.378 67.0 103.0 -83.4 7.8 -10.5 8.7 -3.5 71 73 A A H <> S+ 0 0 1 -3,-1.2 4,-2.9 1,-0.2 -1,-0.2 0.923 78.5 51.9 -55.0 -48.4 -8.4 7.8 -6.6 72 74 A G H <> S+ 0 0 26 -3,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.910 108.7 50.4 -55.9 -46.5 -10.8 9.7 -8.9 73 75 A T H > S+ 0 0 74 -4,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.920 112.5 46.3 -56.4 -47.0 -10.5 12.9 -6.7 74 76 A V H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.919 110.6 53.4 -64.4 -45.1 -6.7 12.7 -6.7 75 77 A I H X S+ 0 0 0 -4,-2.9 4,-2.4 -5,-0.2 -2,-0.2 0.927 106.2 52.5 -55.6 -45.6 -6.7 12.1 -10.5 76 78 A E H X S+ 0 0 97 -4,-2.5 4,-0.8 1,-0.2 -1,-0.2 0.854 108.4 51.6 -64.6 -31.4 -8.8 15.2 -11.1 77 79 A K H >< S+ 0 0 54 -4,-1.6 3,-0.8 1,-0.2 4,-0.3 0.953 111.7 46.4 -62.1 -49.0 -6.4 17.3 -9.0 78 80 A A H ><>S+ 0 0 0 -4,-2.4 5,-2.6 1,-0.2 3,-1.5 0.832 102.3 64.4 -66.7 -32.3 -3.4 16.0 -11.1 79 81 A R H ><5S+ 0 0 71 -4,-2.4 3,-1.4 1,-0.3 -1,-0.2 0.823 85.8 75.2 -59.9 -31.2 -5.2 16.6 -14.4 80 82 A G T <<5S+ 0 0 69 -4,-0.8 -1,-0.3 -3,-0.8 -2,-0.2 0.750 114.1 20.9 -55.2 -27.1 -5.2 20.4 -13.6 81 83 A Q T < 5S- 0 0 107 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.173 110.8-112.1-123.9 14.6 -1.5 20.5 -14.5 82 84 A N T < 5 + 0 0 49 -3,-1.4 -3,-0.2 -4,-0.2 -2,-0.1 0.854 60.3 165.0 53.1 39.2 -1.4 17.3 -16.6 83 85 A V < - 0 0 6 -5,-2.6 -1,-0.2 -6,-0.1 -23,-0.2 -0.677 36.4-122.5 -87.1 135.1 0.7 15.7 -13.9 84 86 A P - 0 0 3 0, 0.0 -23,-2.0 0, 0.0 2,-0.4 -0.458 22.4-152.2 -73.6 151.5 1.2 11.9 -14.0 85 87 A V E -cd 61 103A 0 17,-2.5 19,-2.7 -25,-0.2 2,-0.8 -0.991 9.9-166.1-128.2 121.7 0.1 9.9 -10.9 86 88 A V E -cd 62 104A 0 -25,-3.1 -23,-1.8 -2,-0.4 19,-0.2 -0.913 15.3-161.3-102.8 103.0 1.6 6.6 -9.9 87 89 A F E -cd 63 105A 0 17,-2.9 19,-2.0 -2,-0.8 2,-0.3 -0.564 14.1-174.7 -75.7 149.3 -0.7 5.1 -7.3 88 90 A F E + d 0 106A 4 -25,-2.0 2,-1.1 17,-0.2 -23,-0.3 -1.000 47.5 4.8-148.8 149.4 0.8 2.4 -5.2 89 91 A N S S+ 0 0 18 17,-2.0 2,-0.5 -2,-0.3 -25,-0.1 -0.054 114.9 61.8 78.6 -35.5 -0.0 -0.2 -2.5 90 92 A K S S- 0 0 0 -2,-1.1 -25,-0.3 16,-0.1 -2,-0.1 -0.963 86.2-137.5-119.8 112.2 -3.8 0.5 -2.4 91 93 A E - 0 0 30 -2,-0.5 3,-0.1 14,-0.1 -20,-0.1 -0.530 10.1-143.9 -79.1 124.6 -5.3 -0.3 -5.8 92 94 A P - 0 0 3 0, 0.0 -23,-0.1 0, 0.0 -1,-0.0 -0.276 38.8 -80.9 -69.9 165.8 -7.9 2.1 -7.3 93 95 A S > - 0 0 69 -25,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.338 36.7-118.4 -62.1 151.8 -10.8 0.7 -9.3 94 96 A R H > S+ 0 0 97 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.901 117.4 58.1 -59.1 -37.8 -10.0 -0.1 -12.9 95 97 A K H 4 S+ 0 0 162 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.913 107.4 45.5 -60.0 -42.7 -12.6 2.5 -13.8 96 98 A A H >4 S+ 0 0 13 2,-0.2 3,-1.4 1,-0.2 4,-0.2 0.958 114.4 47.2 -66.1 -48.5 -10.7 5.2 -11.8 97 99 A L H >< S+ 0 0 0 -4,-2.6 3,-1.2 1,-0.3 6,-0.4 0.907 111.2 52.2 -57.5 -42.7 -7.3 4.1 -13.3 98 100 A D T 3< S+ 0 0 11 -4,-3.0 483,-2.5 1,-0.2 486,-0.3 0.564 92.6 77.4 -68.0 -9.8 -8.8 4.1 -16.8 99 101 A S T < S+ 0 0 31 -3,-1.4 2,-0.4 -4,-0.4 -1,-0.2 0.568 95.1 48.1 -80.0 -6.8 -10.2 7.6 -16.3 100 102 A Y X - 0 0 0 -3,-1.2 3,-1.3 -4,-0.2 480,-0.3 -0.997 69.5-141.2-140.9 134.5 -6.8 9.2 -16.9 101 103 A D T 3 S+ 0 0 9 478,-1.3 481,-0.2 -2,-0.4 479,-0.1 0.713 106.1 41.3 -62.1 -21.1 -4.1 8.8 -19.6 102 104 A K T 3 S+ 0 0 13 477,-0.3 -17,-2.5 -19,-0.1 2,-0.6 -0.018 82.4 115.0-122.4 27.4 -1.4 9.1 -17.0 103 105 A A E < +d 85 0A 0 -3,-1.3 2,-0.3 -6,-0.4 -17,-0.2 -0.903 38.9 173.1-102.6 123.6 -2.7 7.1 -14.0 104 106 A Y E -d 86 0A 6 -19,-2.7 -17,-2.9 -2,-0.6 2,-0.4 -0.773 16.7-151.8-121.9 163.0 -0.6 4.1 -13.1 105 107 A Y E -de 87 288A 2 182,-2.2 184,-2.9 -2,-0.3 2,-0.5 -0.993 4.1-164.6-142.0 136.7 -0.7 1.6 -10.3 106 108 A V E +de 88 289A 0 -19,-2.0 -17,-2.0 -2,-0.4 184,-0.2 -0.979 42.3 101.3-119.6 124.7 2.0 -0.5 -8.7 107 109 A G E - e 0 290A 0 182,-2.9 184,-2.2 -2,-0.5 2,-0.3 -0.536 59.0 -77.4-160.9-137.2 1.0 -3.4 -6.5 108 110 A T - 0 0 3 182,-0.3 2,-1.1 -2,-0.2 3,-0.1 -0.848 45.7 -88.5-141.3 169.7 0.5 -7.2 -6.3 109 111 A D >> - 0 0 54 182,-0.3 3,-1.2 -2,-0.3 4,-0.6 -0.823 46.8-155.9 -82.7 101.4 -1.9 -9.9 -7.5 110 112 A S H >> S+ 0 0 13 -2,-1.1 4,-0.7 1,-0.3 3,-0.7 0.832 84.4 52.7 -55.7 -43.0 -4.0 -9.6 -4.3 111 113 A K H 3> S+ 0 0 93 1,-0.2 4,-2.2 2,-0.2 3,-0.5 0.806 94.8 73.5 -63.5 -29.5 -5.5 -13.1 -4.4 112 114 A E H <> S+ 0 0 60 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0 0 93 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.913 110.6 46.7 -58.2 -45.2 -0.6 -12.3 -63.1 525 221 B A H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.914 111.1 51.8 -66.7 -44.3 3.0 -13.0 -64.3 526 222 B L H <>S+ 0 0 5 -4,-2.7 5,-2.8 2,-0.2 4,-0.3 0.915 109.1 49.7 -57.2 -46.3 2.5 -16.8 -64.0 527 223 B K H ><5S+ 0 0 112 -4,-2.5 3,-1.3 1,-0.2 -1,-0.2 0.917 108.8 53.7 -60.6 -42.5 -0.7 -16.7 -66.0 528 224 B A H 3<5S+ 0 0 74 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.869 114.3 41.4 -55.2 -40.0 1.1 -14.6 -68.7 529 225 B H T 3<5S- 0 0 59 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.319 110.7-120.1 -93.0 6.0 3.8 -17.3 -68.9 530 226 B N T < 5S+ 0 0 144 -3,-1.3 -3,-0.2 -4,-0.3 -4,-0.1 0.856 75.0 128.6 57.5 37.3 1.4 -20.2 -68.7 531 227 B K > < + 0 0 69 -5,-2.8 3,-1.4 -6,-0.1 -4,-0.2 -0.252 12.0 138.6-117.1 45.1 3.1 -21.4 -65.5 532 228 B S T 3 + 0 0 67 1,-0.3 -1,-0.1 -6,-0.2 -5,-0.1 0.172 56.4 77.0 -83.5 24.9 0.1 -21.8 -63.2 533 229 B S T 3 S+ 0 0 100 -7,-0.1 -1,-0.3 2,-0.1 -2,-0.1 0.478 73.2 92.1-102.6 -7.5 1.3 -25.1 -61.7 534 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40.1 165.6 -77.1 86.2 -7.1 -8.8 -39.0 562 258 B A H > S+ 0 0 7 -2,-1.6 4,-2.6 -22,-0.2 5,-0.3 0.870 71.3 59.9 -64.8 -40.8 -7.8 -5.3 -40.3 563 259 B N H > S+ 0 0 114 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.922 110.8 39.4 -59.0 -44.6 -11.1 -4.9 -38.5 564 260 B N H > S+ 0 0 63 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.865 113.7 52.6 -79.2 -33.5 -9.5 -5.3 -35.0 565 261 B Q H X S+ 0 0 8 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.903 113.7 46.2 -61.7 -39.9 -6.3 -3.3 -35.8 566 262 B A H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.935 113.0 49.5 -65.4 -46.3 -8.6 -0.5 -37.0 567 263 B K H X S+ 0 0 91 -4,-2.3 4,-3.0 -5,-0.3 5,-0.2 0.927 112.7 45.8 -61.0 -46.2 -10.9 -0.8 -34.0 568 264 B A H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 5,-0.3 0.931 112.0 51.8 -63.8 -45.0 -8.0 -0.7 -31.5 569 265 B T H X S+ 0 0 1 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.930 115.8 41.3 -55.6 -47.8 -6.3 2.2 -33.2 570 266 B F H X S+ 0 0 14 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.930 114.7 49.5 -68.7 -47.1 -9.6 4.2 -33.1 571 267 B D H X S+ 0 0 29 -4,-3.0 4,-2.2 -5,-0.2 -2,-0.2 0.923 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