==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 12-OCT-06 2IPN . COMPND 2 MOLECULE: D-GALACTOSE-BINDING PERIPLASMIC PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.J.CUNEO,H.W.HELLINGA . 305 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12805.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 235 77.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 47 15.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 2.0 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 . 1 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 . 21 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 108 35.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 0 1 0 0 0 1 1 0 0 3 0 1 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 2 3 0 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 PARALLEL BRIDGES PER LADDER . 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 1 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 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 D 0 0 152 0, 0.0 2,-0.6 0, 0.0 32,-0.2 0.000 360.0 360.0 360.0 144.0 10.0 46.0 53.4 2 3 A T E -a 33 0A 16 30,-3.0 32,-2.7 57,-0.0 2,-0.4 -0.882 360.0-148.6-100.0 119.5 11.2 42.7 51.8 3 4 A R E -a 34 0A 48 -2,-0.6 57,-2.9 55,-0.3 58,-0.7 -0.763 13.1-172.8 -90.2 130.5 13.1 40.4 54.2 4 5 A I E -ab 35 61A 2 30,-2.7 32,-2.5 -2,-0.4 2,-0.4 -0.992 15.9-141.9-122.1 123.6 15.9 38.2 52.7 5 6 A G E -ab 36 62A 0 56,-2.4 58,-2.8 -2,-0.5 2,-0.4 -0.740 19.8-171.0 -86.4 134.8 17.5 35.5 54.9 6 7 A V E -ab 37 63A 0 30,-2.6 32,-1.8 -2,-0.4 2,-0.4 -0.989 8.6-167.6-128.8 131.2 21.2 35.0 54.5 7 8 A T E -ab 38 64A 0 56,-2.1 58,-1.6 -2,-0.4 2,-0.4 -0.975 4.0-164.1-116.5 136.4 23.5 32.3 55.9 8 9 A I E -a 39 0A 0 30,-2.5 32,-2.6 -2,-0.4 33,-0.3 -0.963 24.7-132.4-112.7 131.0 27.3 32.5 55.9 9 10 A Y S S- 0 0 2 -2,-0.4 33,-2.8 1,-0.3 34,-0.4 0.879 87.5 -13.2 -61.8 -38.9 28.8 29.1 56.6 10 11 A K > - 0 0 17 31,-0.2 3,-1.5 30,-0.2 -1,-0.3 -0.873 58.3-143.1-157.4 130.6 31.2 30.6 59.1 11 12 A Y T 3 S+ 0 0 53 -2,-0.3 -2,-0.1 1,-0.3 9,-0.1 0.716 99.0 62.4 -66.2 -22.0 32.0 34.3 59.6 12 13 A D T 3 S+ 0 0 120 4,-0.1 2,-0.4 5,-0.1 -1,-0.3 0.402 70.7 113.6 -89.6 5.4 35.6 33.6 60.3 13 14 A D <> - 0 0 11 -3,-1.5 4,-2.1 1,-0.2 5,-0.2 -0.649 69.7-137.2 -68.3 126.3 36.3 32.2 56.8 14 15 A a H > S+ 0 0 42 -2,-0.4 4,-1.3 168,-0.3 -1,-0.2 0.919 97.6 38.6 -56.6 -50.3 38.6 34.7 55.3 15 16 A F H > S+ 0 0 8 1,-0.2 4,-2.1 2,-0.2 3,-0.3 0.927 115.3 51.1 -69.7 -45.1 37.0 34.9 51.9 16 17 A M H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.772 102.9 61.5 -70.2 -20.2 33.4 34.6 53.1 17 18 A S H X S+ 0 0 22 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.921 105.8 47.0 -65.0 -43.0 34.0 37.5 55.5 18 19 A V H X S+ 0 0 52 -4,-1.3 4,-2.1 -3,-0.3 -2,-0.2 0.933 114.3 46.9 -61.0 -46.5 34.8 39.6 52.5 19 20 A V H X S+ 0 0 2 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.930 110.5 52.8 -62.1 -44.8 31.7 38.4 50.7 20 21 A R H X S+ 0 0 52 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.921 110.7 46.3 -56.5 -48.8 29.5 38.9 53.8 21 22 A K H X S+ 0 0 109 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.887 111.8 52.0 -65.3 -37.2 30.6 42.5 54.2 22 23 A A H X S+ 0 0 11 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.909 108.3 50.1 -66.5 -41.3 30.1 43.2 50.5 23 24 A I H X S+ 0 0 2 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.908 110.4 50.5 -66.4 -37.2 26.6 41.8 50.5 24 25 A E H X S+ 0 0 67 -4,-2.1 4,-0.6 2,-0.2 -1,-0.2 0.889 110.2 50.1 -64.9 -39.0 25.7 44.0 53.5 25 26 A Q H >X S+ 0 0 111 -4,-2.1 3,-1.3 1,-0.2 4,-0.6 0.923 109.0 52.1 -61.9 -43.3 27.1 47.0 51.7 26 27 A D H >< S+ 0 0 43 -4,-2.5 3,-1.3 1,-0.3 4,-0.4 0.893 99.4 63.5 -60.7 -38.5 25.0 46.2 48.7 27 28 A A H >< S+ 0 0 18 -4,-2.1 3,-0.9 1,-0.3 6,-0.3 0.717 89.5 70.5 -60.2 -21.0 21.9 46.0 50.9 28 29 A K H << S+ 0 0 145 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.890 92.3 56.6 -57.9 -42.2 22.4 49.8 51.6 29 30 A A T << S+ 0 0 89 -3,-1.3 -1,-0.2 -4,-0.6 -2,-0.2 0.601 99.0 65.6 -68.9 -13.7 21.4 50.6 48.1 30 31 A A X + 0 0 7 -3,-0.9 3,-2.3 -4,-0.4 -1,-0.2 -0.754 57.4 174.8-112.3 80.2 18.1 48.8 48.6 31 32 A P T 3 S+ 0 0 112 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.752 81.4 61.2 -53.7 -22.7 16.2 50.9 51.2 32 33 A D T 3 S+ 0 0 72 -3,-0.1 -30,-3.0 -31,-0.1 2,-0.4 0.471 95.6 76.6 -82.1 -3.9 13.3 48.5 50.6 33 34 A V E < -a 2 0A 13 -3,-2.3 2,-0.5 -6,-0.3 -30,-0.2 -0.895 55.9-165.8-117.8 138.8 15.2 45.3 51.7 34 35 A Q E -a 3 0A 86 -32,-2.7 -30,-2.7 -2,-0.4 2,-0.4 -0.987 12.9-151.2-118.1 121.2 16.2 43.9 55.1 35 36 A L E -a 4 0A 28 -2,-0.5 2,-0.8 -32,-0.2 -30,-0.2 -0.780 2.6-153.4 -87.8 133.7 18.9 41.2 55.3 36 37 A L E -a 5 0A 27 -32,-2.5 -30,-2.6 -2,-0.4 2,-0.3 -0.904 23.6-155.1-105.1 99.2 18.6 38.8 58.2 37 38 A M E -a 6 0A 43 -2,-0.8 2,-0.4 -32,-0.2 -30,-0.2 -0.622 13.0-172.7 -88.5 132.9 22.3 37.8 58.6 38 39 A N E -a 7 0A 29 -32,-1.8 -30,-2.5 -2,-0.3 2,-0.7 -0.984 19.6-152.0-130.1 131.8 23.3 34.5 60.1 39 40 A D E -a 8 0A 48 -2,-0.4 -30,-0.2 -32,-0.2 -29,-0.1 -0.897 9.1-164.4 -94.0 113.9 26.7 33.0 61.1 40 41 A S > - 0 0 0 -32,-2.6 3,-1.4 -2,-0.7 7,-0.3 0.497 26.0-136.1 -82.1 -2.5 26.3 29.2 60.9 41 42 A Q T 3 - 0 0 111 -33,-0.3 -31,-0.2 1,-0.3 -32,-0.1 0.812 60.5 -66.3 56.8 34.6 29.5 28.7 62.9 42 43 A N T 3 S+ 0 0 70 -33,-2.8 2,-0.4 -34,-0.2 -1,-0.3 0.812 109.6 116.2 58.5 37.1 30.7 26.0 60.5 43 44 A D <> - 0 0 55 -3,-1.4 4,-2.2 -34,-0.4 3,-0.3 -0.948 52.4-159.9-140.7 110.9 27.9 23.6 61.5 44 45 A Q H > S+ 0 0 24 -2,-0.4 4,-2.7 1,-0.2 5,-0.2 0.843 95.5 56.8 -61.8 -33.6 25.2 22.5 59.0 45 46 A S H > S+ 0 0 70 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.899 108.1 47.8 -64.9 -37.9 22.8 21.5 61.9 46 47 A K H > S+ 0 0 89 -3,-0.3 4,-2.4 -6,-0.2 -2,-0.2 0.922 112.2 50.2 -64.6 -42.5 23.0 25.1 63.2 47 48 A Q H X S+ 0 0 0 -4,-2.2 4,-2.4 -7,-0.3 -2,-0.2 0.905 107.2 54.2 -61.5 -41.8 22.5 26.4 59.7 48 49 A N H X S+ 0 0 32 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.923 110.3 45.7 -60.9 -44.5 19.4 24.1 59.2 49 50 A D H X S+ 0 0 106 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.901 110.5 54.4 -64.8 -39.7 17.8 25.5 62.4 50 51 A Q H X S+ 0 0 38 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.888 107.4 50.6 -59.5 -40.0 18.7 29.1 61.3 51 52 A I H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.920 107.7 52.8 -66.1 -42.4 16.9 28.5 58.0 52 53 A D H X S+ 0 0 72 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.926 111.0 47.8 -56.1 -44.6 13.8 27.2 59.9 53 54 A V H X S+ 0 0 71 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.919 111.0 50.4 -64.0 -44.5 13.8 30.4 61.9 54 55 A L H <>S+ 0 0 2 -4,-2.4 5,-1.6 1,-0.2 -2,-0.2 0.915 111.1 48.3 -58.8 -45.2 14.2 32.6 58.8 55 56 A L H ><5S+ 0 0 13 -4,-2.7 3,-1.4 1,-0.2 -1,-0.2 0.891 109.3 52.9 -64.8 -37.3 11.3 30.9 57.1 56 57 A A H 3<5S+ 0 0 91 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.796 103.7 58.6 -67.1 -28.1 9.2 31.3 60.2 57 58 A K T 3<5S- 0 0 126 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.345 119.6-111.0 -82.6 2.5 10.0 35.0 60.2 58 59 A G T < 5 + 0 0 46 -3,-1.4 -55,-0.3 1,-0.2 -3,-0.2 0.755 47.8 178.0 79.3 27.1 8.5 35.3 56.7 59 60 A V < - 0 0 6 -5,-1.6 -55,-0.2 1,-0.1 -1,-0.2 -0.336 24.1-148.2 -59.0 146.1 11.6 35.9 54.5 60 61 A K S S+ 0 0 118 -57,-2.9 2,-0.3 1,-0.2 -56,-0.2 0.534 77.5 13.0 -96.1 -9.0 10.7 36.2 50.8 61 62 A A E -b 4 0A 1 -58,-0.7 -56,-2.4 23,-0.2 2,-0.4 -0.969 65.7-140.9-156.5 158.1 14.0 34.7 49.6 62 63 A L E -bc 5 86A 0 23,-2.1 25,-3.0 -2,-0.3 2,-0.5 -0.971 3.0-163.9-119.3 139.7 17.0 32.9 51.0 63 64 A A E -bc 6 87A 1 -58,-2.8 -56,-2.1 -2,-0.4 2,-0.5 -0.988 24.5-168.5-118.1 113.5 20.7 33.4 50.1 64 65 A I E -bc 7 88A 0 23,-1.9 25,-2.2 -2,-0.5 2,-0.8 -0.930 26.4-172.9-120.3 121.3 22.5 30.3 51.4 65 66 A N - 0 0 0 -58,-1.6 25,-0.1 -2,-0.5 27,-0.1 -0.924 36.6-138.7-103.9 99.3 26.2 29.7 51.8 66 67 A L - 0 0 0 -2,-0.8 -57,-0.2 25,-0.3 -22,-0.1 -0.213 19.4-153.9 -61.9 147.9 26.1 26.0 52.8 67 68 A V S S+ 0 0 19 1,-0.3 -1,-0.1 -58,-0.1 3,-0.1 0.930 97.7 29.4 -75.0 -54.8 28.3 24.5 55.5 68 69 A D S > S- 0 0 81 1,-0.1 3,-2.1 23,-0.0 -1,-0.3 -0.919 73.9-154.2-105.1 115.5 27.9 21.1 53.7 69 70 A P G > S+ 0 0 25 0, 0.0 3,-1.6 0, 0.0 25,-0.3 0.833 96.5 61.7 -55.0 -34.2 27.4 21.3 49.8 70 71 A A G > S+ 0 0 87 1,-0.3 3,-0.6 2,-0.1 4,-0.3 0.642 89.8 71.1 -68.5 -14.1 25.7 17.9 50.0 71 72 A A G <> + 0 0 8 -3,-2.1 4,-2.2 1,-0.2 -1,-0.3 0.390 65.5 101.0 -83.8 4.9 23.1 19.5 52.2 72 73 A A H <> S+ 0 0 2 -3,-1.6 4,-3.0 1,-0.2 -1,-0.2 0.898 80.1 52.6 -55.0 -43.0 21.6 21.5 49.3 73 74 A G H <> S+ 0 0 29 -3,-0.6 4,-2.4 2,-0.2 -1,-0.2 0.920 107.8 50.4 -58.9 -46.7 18.7 19.1 49.0 74 75 A T H > S+ 0 0 74 -4,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.912 113.5 45.8 -54.8 -47.5 17.8 19.4 52.7 75 76 A V H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.918 109.6 54.8 -66.2 -42.4 17.8 23.2 52.4 76 77 A I H X S+ 0 0 0 -4,-3.0 4,-2.9 1,-0.2 -2,-0.2 0.904 105.6 52.2 -57.7 -42.5 15.8 23.1 49.1 77 78 A E H X S+ 0 0 100 -4,-2.4 4,-1.3 2,-0.2 -1,-0.2 0.879 108.9 50.5 -67.9 -32.7 13.1 21.0 50.8 78 79 A K H >X S+ 0 0 50 -4,-1.5 4,-0.6 2,-0.2 3,-0.5 0.962 113.1 45.7 -62.1 -50.6 12.9 23.6 53.6 79 80 A A H ><>S+ 0 0 0 -4,-2.5 5,-2.4 1,-0.2 3,-1.2 0.894 108.2 57.3 -59.3 -41.5 12.6 26.4 51.1 80 81 A R H ><5S+ 0 0 92 -4,-2.9 3,-1.0 1,-0.3 -1,-0.2 0.830 94.7 66.6 -60.5 -32.8 10.0 24.5 49.1 81 82 A G H <<5S+ 0 0 58 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.779 114.5 29.7 -59.4 -28.4 7.7 24.2 52.2 82 83 A Q T <<5S- 0 0 117 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.289 110.4-121.3-108.1 2.4 7.2 28.0 52.1 83 84 A N T < 5 + 0 0 96 -3,-1.0 -3,-0.2 -4,-0.4 -4,-0.1 0.863 59.7 157.1 51.0 44.5 7.6 28.1 48.3 84 85 A V < - 0 0 11 -5,-2.4 -1,-0.2 -6,-0.1 -23,-0.2 -0.761 43.2-117.7-100.6 134.6 10.6 30.5 48.8 85 86 A P - 0 0 10 0, 0.0 -23,-2.1 0, 0.0 2,-0.4 -0.431 26.6-155.4 -69.7 150.7 13.3 31.0 46.3 86 87 A V E -cd 62 104A 0 17,-2.3 19,-2.4 -25,-0.2 2,-0.7 -0.990 11.0-164.2-132.7 124.1 16.9 30.1 47.3 87 88 A V E -cd 63 105A 0 -25,-3.0 -23,-1.9 -2,-0.4 2,-0.2 -0.918 15.4-158.0-104.2 104.0 20.1 31.5 45.8 88 89 A F E -cd 64 106A 0 17,-2.8 19,-2.3 -2,-0.7 2,-0.3 -0.571 14.2-167.3 -73.7 146.9 23.0 29.3 46.9 89 90 A F E - d 0 107A 4 -25,-2.2 2,-1.7 17,-0.2 -23,-0.3 -1.000 50.4 -8.2-144.7 142.9 26.4 30.9 46.8 90 91 A N S S+ 0 0 12 17,-1.9 2,-0.6 -2,-0.3 63,-0.2 -0.168 115.8 68.5 73.8 -38.7 30.1 30.0 47.0 91 92 A K S S- 0 0 0 -2,-1.7 -25,-0.3 -27,-0.2 -2,-0.1 -0.943 86.7-140.4-108.2 109.6 29.5 26.3 47.8 92 93 A E - 0 0 39 -2,-0.6 3,-0.1 -27,-0.1 -20,-0.1 -0.546 6.2-141.7 -81.8 123.4 28.0 24.8 44.6 93 94 A P - 0 0 4 0, 0.0 -23,-0.1 0, 0.0 -1,-0.1 -0.334 35.9 -88.3 -66.8 161.9 25.1 22.3 44.8 94 95 A S > - 0 0 70 -25,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.234 34.8-112.7 -62.6 157.7 25.0 19.4 42.3 95 96 A R H > S+ 0 0 88 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.903 120.1 53.9 -57.7 -43.3 23.3 19.9 39.0 96 97 A K H > S+ 0 0 96 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.916 107.9 49.6 -59.6 -45.0 20.6 17.4 40.1 97 98 A A H >4 S+ 0 0 14 2,-0.2 3,-1.1 1,-0.2 4,-0.3 0.948 111.7 47.9 -59.4 -49.4 20.0 19.4 43.3 98 99 A L H >< S+ 0 0 0 -4,-2.5 3,-1.1 1,-0.3 6,-0.4 0.908 112.4 49.4 -58.6 -41.6 19.7 22.7 41.4 99 100 A D H 3< S+ 0 0 78 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.587 94.1 76.2 -74.8 -10.0 17.3 21.1 38.9 100 101 A S T << S+ 0 0 48 -3,-1.1 2,-0.4 -4,-0.8 -1,-0.2 0.604 102.7 35.4 -75.8 -11.6 15.1 19.6 41.8 101 102 A Y X - 0 0 9 -3,-1.1 3,-1.8 -4,-0.3 -1,-0.2 -0.957 68.4-149.2-146.8 120.9 13.5 23.0 42.5 102 103 A D T 3 S+ 0 0 134 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.719 99.4 56.5 -67.2 -17.8 12.7 25.6 39.9 103 104 A K T 3 S+ 0 0 77 -19,-0.1 -17,-2.3 -27,-0.1 2,-0.4 0.230 85.0 103.7 -97.5 14.4 13.3 28.4 42.4 104 105 A A E < +d 86 0A 0 -3,-1.8 2,-0.3 -6,-0.4 -17,-0.2 -0.843 44.6 168.6 -98.2 132.7 16.9 27.3 43.2 105 106 A Y E -d 87 0A 40 -19,-2.4 -17,-2.8 -2,-0.4 2,-0.4 -0.844 20.5-141.9-132.8 167.6 19.8 29.3 41.7 106 107 A Y E -de 88 289A 3 182,-2.4 184,-2.5 -2,-0.3 2,-0.4 -0.998 8.1-169.9-139.5 135.4 23.6 29.4 42.2 107 108 A V E +de 89 290A 0 -19,-2.3 -17,-1.9 -2,-0.4 2,-0.2 -0.989 44.6 88.1-119.2 125.3 26.2 32.2 42.2 108 109 A G E - e 0 291A 0 182,-2.7 184,-2.5 -2,-0.4 2,-0.3 -0.623 65.3 -65.1-170.6-127.9 29.9 31.4 42.3 109 110 A T - 0 0 3 182,-0.3 2,-1.1 -2,-0.2 3,-0.1 -0.863 42.5 -94.0-142.5 169.0 32.7 30.7 39.9 110 111 A D >> - 0 0 66 182,-0.4 3,-1.0 -2,-0.3 4,-0.8 -0.825 43.8-160.8 -86.9 95.8 34.1 28.2 37.3 111 112 A S H >> S+ 0 0 13 -2,-1.1 4,-1.0 1,-0.3 3,-1.0 0.879 82.8 56.1 -53.8 -45.0 36.1 26.3 39.9 112 113 A K H 3> S+ 0 0 67 1,-0.3 4,-2.4 2,-0.2 3,-0.3 0.838 96.5 66.1 -56.8 -36.2 38.4 24.6 37.4 113 114 A E H <> S+ 0 0 59 -3,-1.0 4,-2.7 1,-0.2 -1,-0.3 0.872 97.6 53.6 -56.1 -39.9 39.5 28.0 36.0 114 115 A S H < S+ 0 0 11 -4,-3.1 3,-0.9 -5,-0.2 6,-0.2 0.942 109.4 48.0 -60.5 -48.3 59.1 27.9 37.6 127 128 A A H 3< S+ 0 0 74 -4,-2.4 3,-0.4 1,-0.2 -1,-0.2 0.852 114.6 47.2 -61.5 -33.5 60.4 28.7 34.2 128 129 A A H 3< S+ 0 0 77 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.555 116.9 43.8 -83.2 -11.7 61.8 32.0 35.4 129 130 A N X< + 0 0 63 -4,-0.9 3,-2.3 -3,-0.9 -1,-0.2 -0.574 57.5 162.8-134.5 69.5 63.3 30.5 38.6 130 131 A Q G > S+ 0 0 102 -3,-0.4 3,-1.6 1,-0.3 6,-0.2 0.710 70.1 77.2 -71.6 -11.9 65.1 27.3 37.7 131 132 A G G 3 S+ 0 0 66 1,-0.3 -1,-0.3 -3,-0.1 5,-0.1 0.693 80.5 72.7 -59.5 -19.1 67.0 27.6 41.0 132 133 A W G < S+ 0 0 44 -3,-2.3 2,-2.0 -6,-0.2 -1,-0.3 0.725 73.3 85.7 -69.7 -20.4 63.7 26.3 42.5 133 134 A D X + 0 0 14 -3,-1.6 3,-1.8 -4,-0.2 -1,-0.2 -0.544 61.7 176.7 -80.7 77.8 64.5 22.9 41.0 134 135 A L T 3 S+ 0 0 100 -2,-2.0 -1,-0.2 1,-0.3 69,-0.1 0.832 77.0 37.9 -56.1 -42.1 66.6 21.9 44.0 135 136 A N T 3 S- 0 0 86 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.314 102.8-130.4 -95.6 7.5 67.3 18.3 42.9 136 137 A K < + 0 0 108 -3,-1.8 -2,-0.1 -6,-0.2 -3,-0.1 0.807 67.6 128.5 49.5 41.5 67.7 19.4 39.2 137 138 A D S S- 0 0 58 2,-0.3 -1,-0.1 0, 0.0 3,-0.1 0.386 76.1-117.7-102.6 2.2 65.4 16.6 37.9 138 139 A G S S+ 0 0 42 1,-0.2 33,-0.5 -8,-0.1 2,-0.3 0.458 82.1 106.5 75.0 0.9 63.2 18.9 35.8 139 140 A Q S S- 0 0 61 31,-0.1 2,-0.8 33,-0.0 -2,-0.3 -0.840 73.4-120.2-110.8 149.3 60.2 18.0 38.0 140 141 A I E -g 172 0B 1 31,-2.6 33,-2.9 -2,-0.3 2,-0.8 -0.801 19.0-155.9 -86.8 113.4 58.4 20.1 40.6 141 142 A Q E +g 173 0B 3 -2,-0.8 63,-2.6 31,-0.2 64,-1.4 -0.818 32.9 175.3 -84.7 110.0 58.5 18.3 44.0 142 143 A F E -gh 174 205B 2 31,-2.2 33,-2.9 -2,-0.8 34,-1.0 -0.785 34.4-151.4-120.4 159.2 55.4 19.9 45.6 143 144 A V E -gh 176 206B 0 62,-1.9 64,-2.7 -2,-0.3 2,-0.4 -0.953 21.1-152.2-119.9 148.9 53.3 19.7 48.7 144 145 A L E -gh 177 207B 1 32,-1.7 34,-1.9 -2,-0.3 2,-0.7 -0.985 10.7-155.4-132.1 127.9 49.6 20.7 48.5 145 146 A L E -gh 178 208B 0 62,-2.6 64,-2.6 -2,-0.4 65,-0.2 -0.902 26.1-156.4-100.3 111.7 47.3 22.1 51.1 146 147 A K E -g 179 0B 34 32,-2.6 34,-2.6 -2,-0.7 35,-0.7 -0.592 8.3-130.3 -94.3 148.4 43.7 21.2 50.2 147 148 A G - 0 0 0 -2,-0.2 34,-0.4 1,-0.2 -1,-0.1 0.068 64.9 -35.7 -72.4-164.3 40.4 22.9 51.1 148 149 A E S > S- 0 0 17 32,-0.1 3,-2.1 1,-0.1 6,-0.2 -0.368 72.7-108.0 -59.9 127.1 37.4 20.9 52.5 149 150 A P T 3 S+ 0 0 83 0, 0.0 -1,-0.1 0, 0.0 5,-0.0 -0.340 105.8 19.9 -54.7 136.8 37.2 17.5 50.9 150 151 A G T 3 S+ 0 0 50 1,-0.3 -2,-0.1 -3,-0.1 3,-0.0 0.236 88.1 130.0 84.8 -12.8 34.2 17.4 48.5 151 152 A H <> - 0 0 7 -3,-2.1 4,-2.6 1,-0.1 3,-0.4 -0.615 62.8-132.7 -72.3 126.8 34.1 21.2 48.2 152 153 A P H > S+ 0 0 37 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.831 104.8 49.7 -53.7 -35.5 34.0 21.9 44.4 153 154 A D H > S+ 0 0 6 -63,-0.2 4,-2.4 2,-0.2 5,-0.3 0.890 111.7 48.1 -68.9 -41.4 36.7 24.6 44.6 154 155 A A H > S+ 0 0 0 -3,-0.4 4,-1.8 -6,-0.2 5,-0.2 0.933 115.2 45.1 -63.7 -44.1 39.0 22.3 46.7 155 156 A E H X S+ 0 0 68 -4,-2.6 4,-2.3 -7,-0.2 5,-0.2 0.948 118.2 41.6 -67.7 -45.2 38.5 19.4 44.3 156 157 A A H X S+ 0 0 14 -4,-2.2 4,-2.9 -5,-0.3 5,-0.3 0.900 114.3 50.1 -70.0 -42.7 38.9 21.4 41.1 157 158 A R H X S+ 0 0 3 -4,-2.4 4,-1.6 -5,-0.2 5,-0.2 0.890 113.6 47.3 -64.7 -36.9 41.8 23.6 42.3 158 159 A T H X S+ 0 0 16 -4,-1.8 4,-0.9 -5,-0.3 -2,-0.2 0.941 118.0 40.2 -69.0 -46.7 43.7 20.4 43.4 159 160 A T H X S+ 0 0 77 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.937 119.6 43.2 -65.4 -48.7 43.1 18.5 40.2 160 161 A Y H X S+ 0 0 65 -4,-2.9 4,-2.5 2,-0.2 5,-0.2 0.759 102.7 61.4 -82.8 -24.3 43.6 21.3 37.7 161 162 A V H X S+ 0 0 0 -4,-1.6 4,-1.9 -5,-0.3 -1,-0.2 0.948 115.4 37.4 -62.1 -42.8 46.7 23.0 39.2 162 163 A I H X S+ 0 0 27 -4,-0.9 4,-2.8 -5,-0.2 5,-0.2 0.910 115.5 52.9 -75.2 -42.4 48.6 19.8 38.6 163 164 A K H X S+ 0 0 92 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.920 110.6 48.8 -58.1 -43.3 46.8 18.9 35.3 164 165 A E H X S+ 0 0 27 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.924 111.2 48.3 -66.6 -43.6 47.7 22.4 33.9 165 166 A L H <>S+ 0 0 1 -4,-1.9 5,-2.5 -5,-0.2 3,-0.3 0.954 115.6 45.1 -56.9 -50.3 51.4 22.1 35.0 166 167 A N H ><5S+ 0 0 73 -4,-2.8 3,-1.8 1,-0.2 -2,-0.2 0.908 110.6 53.1 -62.0 -41.9 51.6 18.6 33.4 167 168 A D H 3<5S+ 0 0 100 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.817 105.8 55.2 -63.8 -31.4 49.7 19.7 30.2 168 169 A K T 3<5S- 0 0 138 -4,-1.8 -1,-0.3 -3,-0.3 -2,-0.2 0.372 128.9 -98.1 -82.4 3.0 52.3 22.6 29.9 169 170 A G T < 5S+ 0 0 65 -3,-1.8 2,-0.7 1,-0.2 -3,-0.2 0.448 83.8 127.9 98.9 5.3 55.1 20.0 30.0 170 171 A I < - 0 0 24 -5,-2.5 -1,-0.2 -6,-0.2 -2,-0.2 -0.839 48.7-146.4-102.4 109.5 56.1 20.3 33.6 171 172 A K - 0 0 141 -2,-0.7 -31,-2.6 -33,-0.5 2,-0.3 -0.411 16.6-159.1 -69.3 150.8 56.3 17.0 35.5 172 173 A T E -g 140 0B 28 -33,-0.3 2,-0.4 -2,-0.1 -31,-0.2 -0.956 14.7-156.4-134.5 148.6 55.3 17.0 39.1 173 174 A E E -g 141 0B 84 -33,-2.9 -31,-2.2 -2,-0.3 2,-0.9 -0.976 18.3-140.2-127.1 117.9 55.9 14.8 42.1 174 175 A Q E +g 142 0B 115 -2,-0.4 -31,-0.2 -33,-0.2 3,-0.1 -0.656 25.4 172.2 -78.2 106.6 53.4 14.9 45.0 175 176 A L E - 0 0 38 -33,-2.9 2,-0.3 -2,-0.9 -32,-0.2 0.836 69.8 -4.0 -80.7 -39.5 55.5 14.7 48.2 176 177 A Q E +g 143 0B 87 -34,-1.0 -32,-1.7 2,-0.0 -1,-0.3 -0.982 58.3 178.3-149.5 152.0 52.5 15.5 50.5 177 178 A L E +g 144 0B 56 -2,-0.3 2,-0.3 -34,-0.2 -32,-0.2 -0.911 18.5 144.1-154.7 126.2 48.9 16.4 50.2 178 179 A D E -g 145 0B 63 -34,-1.9 -32,-2.6 -2,-0.3 2,-0.2 -0.982 45.1-100.6-154.7 158.7 46.4 16.9 53.0 179 180 A T E +g 146 0B 34 -2,-0.3 -32,-0.2 -34,-0.2 -31,-0.1 -0.577 22.0 179.6 -78.0 142.3 43.4 19.1 53.9 180 181 A A > - 0 0 0 -34,-2.6 3,-2.3 -2,-0.2 7,-0.3 0.090 47.6-121.1-122.3 18.0 43.7 22.1 56.1 181 182 A M T 3 - 0 0 65 -35,-0.7 -34,-0.2 -34,-0.4 3,-0.1 0.748 62.3 -65.2 57.7 32.0 40.0 22.9 55.7 182 183 A W T 3 S+ 0 0 15 -36,-0.5 2,-0.3 1,-0.2 -1,-0.3 0.453 105.0 131.0 73.1 6.7 40.6 26.4 54.3 183 184 A D <> - 0 0 49 -3,-2.3 4,-1.7 29,-0.1 -1,-0.2 -0.713 57.0-145.8-105.8 139.0 42.1 27.5 57.7 184 185 A T H > S+ 0 0 49 -2,-0.3 4,-2.7 2,-0.2 5,-0.2 0.923 98.3 48.3 -64.0 -49.2 45.4 29.3 58.4 185 186 A A H > S+ 0 0 52 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.920 112.3 47.4 -64.4 -45.2 46.3 27.5 61.7 186 187 A Q H > S+ 0 0 88 -6,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.896 113.6 49.8 -62.4 -39.0 45.7 24.0 60.4 187 188 A A H X S+ 0 0 0 -4,-1.7 4,-2.8 -7,-0.3 5,-0.2 0.904 109.4 50.8 -66.4 -42.3 47.7 24.8 57.3 188 189 A K H X S+ 0 0 86 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.933 112.5 46.7 -58.6 -45.6 50.6 26.2 59.4 189 190 A D H X S+ 0 0 103 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.880 113.7 47.8 -67.3 -37.3 50.6 23.1 61.6 190 191 A K H X S+ 0 0 65 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.924 113.4 46.8 -69.4 -45.1 50.5 20.8 58.6 191 192 A M H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.896 110.4 53.8 -62.1 -40.4 53.3 22.6 56.8 192 193 A D H X S+ 0 0 56 -4,-2.5 4,-1.0 -5,-0.2 -2,-0.2 0.945 107.8 50.6 -61.2 -46.6 55.4 22.7 59.9 193 194 A A H >X S+ 0 0 55 -4,-2.2 3,-1.0 1,-0.2 4,-0.6 0.937 110.2 49.8 -54.0 -48.4 55.0 18.9 60.2 194 195 A W H >< S+ 0 0 20 -4,-2.3 3,-0.8 1,-0.3 -1,-0.2 0.881 110.8 49.2 -61.1 -37.4 56.1 18.5 56.6 195 196 A L H 3< S+ 0 0 14 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.644 112.5 49.7 -73.6 -15.2 59.1 20.7 57.2 196 197 A S H << S+ 0 0 80 -4,-1.0 -1,-0.2 -3,-1.0 -2,-0.2 0.369 96.7 89.8-104.1 -0.4 60.0 18.6 60.3 197 198 A G S X< S- 0 0 29 -3,-0.8 3,-1.6 -4,-0.6 2,-0.3 -0.397 92.0 -83.5 -93.9 169.1 59.7 15.2 58.7 198 199 A P T 3 S+ 0 0 114 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.559 119.3 29.6 -69.5 136.2 62.4 13.1 56.9 199 200 A N T > S+ 0 0 97 -2,-0.3 3,-1.9 -4,-0.1 4,-0.3 0.535 73.2 131.3 89.0 4.4 62.6 14.4 53.4 200 201 A A G X + 0 0 15 -3,-1.6 3,-1.6 1,-0.3 -4,-0.1 0.833 67.4 68.6 -49.7 -34.9 61.6 18.0 54.2 201 202 A N G 3 S+ 0 0 112 1,-0.3 -1,-0.3 -6,-0.0 -6,-0.1 0.639 89.0 63.4 -62.5 -15.9 64.7 18.8 52.1 202 203 A K G < S+ 0 0 99 -3,-1.9 2,-0.3 -68,-0.0 -1,-0.3 0.629 74.2 111.0 -83.1 -15.7 62.9 17.6 48.9 203 204 A I < + 0 0 4 -3,-1.6 -61,-0.2 -4,-0.3 3,-0.1 -0.462 31.4 162.9 -69.8 124.6 60.1 20.2 49.0 204 205 A E + 0 0 4 -63,-2.6 2,-0.3 1,-0.3 -62,-0.2 0.724 61.6 19.5-109.8 -34.1 60.4 22.7 46.1 205 206 A V E -h 142 0B 0 -64,-1.4 -62,-1.9 24,-0.2 2,-0.5 -0.998 59.3-146.6-144.2 139.2 57.0 24.4 45.9 206 207 A V E -hi 143 231B 0 24,-2.7 26,-1.9 -2,-0.3 2,-0.5 -0.939 15.9-169.3-106.4 124.5 54.0 24.8 48.2 207 208 A I E -hi 144 232B 1 -64,-2.7 -62,-2.6 -2,-0.5 2,-0.4 -0.962 4.4-174.5-113.8 125.8 50.6 24.9 46.5 208 209 A A E -h 145 0B 0 24,-2.2 -62,-0.2 -2,-0.5 -64,-0.0 -0.960 29.3-138.3-121.0 142.4 47.5 25.9 48.6 209 210 A N S S+ 0 0 0 -64,-2.6 2,-0.3 -2,-0.4 -63,-0.1 0.635 89.5 16.8 -70.9 -16.7 43.9 25.9 47.5 210 211 A N S > S- 0 0 6 -65,-0.2 4,-2.0 22,-0.2 25,-0.2 -0.970 78.1-109.5-148.0 171.4 43.4 29.3 49.2 211 212 A D H > S+ 0 0 0 23,-2.2 4,-2.9 -2,-0.3 5,-0.2 0.864 111.4 58.1 -68.8 -39.4 45.2 32.3 50.6 212 213 A a H > S+ 0 0 8 22,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.935 111.1 42.9 -63.6 -37.6 44.5 31.6 54.2 213 214 A M H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.916 112.8 53.3 -69.6 -41.1 46.1 28.2 54.0 214 215 A A H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.907 106.4 53.9 -54.8 -43.5 49.0 29.7 52.0 215 216 A M H X S+ 0 0 25 -4,-2.9 4,-1.8 2,-0.2 -1,-0.2 0.873 107.0 50.7 -61.6 -39.4 49.5 32.3 54.7 216 217 A G H X S+ 0 0 0 -4,-1.6 4,-2.1 -5,-0.2 -1,-0.2 0.925 109.8 50.3 -64.0 -42.8 49.8 29.5 57.3 217 218 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.907 106.2 55.9 -61.4 -41.7 52.4 27.8 55.1 218 219 A V H X S+ 0 0 16 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.915 108.2 48.5 -55.9 -43.2 54.3 31.1 54.8 219 220 A E H X S+ 0 0 95 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.903 110.9 49.4 -66.9 -39.5 54.5 31.3 58.6 220 221 A A H X S+ 0 0 0 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.921 110.8 50.3 -65.1 -42.5 55.7 27.7 58.9 221 222 A L H <>S+ 0 0 3 -4,-2.7 5,-3.0 1,-0.2 6,-0.4 0.921 109.2 52.0 -59.1 -45.1 58.4 28.3 56.3 222 223 A K H ><5S+ 0 0 141 -4,-2.2 3,-1.5 1,-0.2 -1,-0.2 0.924 106.1 54.0 -58.4 -45.1 59.5 31.4 58.2 223 224 A A H 3<5S+ 0 0 77 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.838 114.0 42.3 -59.1 -33.2 59.8 29.4 61.4 224 225 A H T 3<5S- 0 0 64 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.315 112.0-116.4 -94.7 6.0 62.1 26.8 59.6 225 226 A N T < 5S+ 0 0 146 -3,-1.5 -3,-0.2 -4,-0.3 3,-0.2 0.883 81.9 123.5 55.3 41.3 64.2 29.4 57.8 226 227 A K > < + 0 0 60 -5,-3.0 3,-2.2 -6,-0.1 -4,-0.2 0.008 15.5 125.7-119.2 25.7 62.8 27.9 54.5 227 228 A S T 3 + 0 0 75 -6,-0.4 -1,-0.1 1,-0.3 -5,-0.1 0.629 57.0 81.5 -66.1 -11.0 61.2 31.0 53.0 228 229 A S T 3 S+ 0 0 93 -3,-0.2 -1,-0.3 -7,-0.1 -2,-0.1 0.699 74.2 90.2 -61.0 -21.7 63.2 30.4 49.8 229 230 A I S < S- 0 0 7 -3,-2.2 -24,-0.2 -24,-0.1 2,-0.2 -0.680 84.6-126.1 -77.6 124.9 60.5 27.9 49.0 230 231 A P - 0 0 12 0, 0.0 -24,-2.7 0, 0.0 2,-0.4 -0.489 19.9-155.4 -76.0 148.0 57.7 29.6 47.0 231 232 A V E -i 206 0B 2 17,-0.2 19,-2.4 -26,-0.2 20,-0.9 -0.964 5.1-164.9-122.9 137.8 54.1 29.5 48.0 232 233 A F E +ij 207 251B 0 -26,-1.9 -24,-2.2 -2,-0.4 20,-0.2 -0.959 13.1 170.6-124.6 140.1 51.0 30.0 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