==== 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 2IPM . COMPND 2 MOLECULE: D-GALACTOSE-BINDING PERIPLASMIC PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.J.CUNEO,H.W.HELLINGA . 307 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13176.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 234 76.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 47 15.3 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 . 22 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 110 35.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.6 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 1 A A 0 0 145 0, 0.0 2,-0.1 0, 0.0 32,-0.0 0.000 360.0 360.0 360.0-170.4 -14.8 11.4 21.6 2 2 A D - 0 0 97 32,-0.1 2,-0.6 1,-0.1 32,-0.2 -0.423 360.0-136.6 -69.2 138.1 -11.2 10.2 22.3 3 3 A T E -a 34 0A 9 30,-3.1 32,-2.6 -2,-0.1 2,-0.4 -0.860 16.9-146.7 -97.4 116.4 -10.1 7.0 20.6 4 4 A R E -a 35 0A 101 -2,-0.6 57,-3.0 55,-0.3 58,-0.7 -0.730 13.7-171.7 -88.3 130.2 -8.2 4.7 23.0 5 5 A I E -ab 36 62A 2 30,-2.7 32,-2.6 -2,-0.4 2,-0.4 -0.989 14.1-144.0-120.3 125.3 -5.4 2.5 21.5 6 6 A G E -ab 37 63A 0 56,-2.4 58,-2.7 -2,-0.5 2,-0.4 -0.742 18.6-172.1 -90.3 135.5 -3.7 -0.1 23.7 7 7 A V E -ab 38 64A 0 30,-2.7 32,-2.0 -2,-0.4 2,-0.4 -0.994 9.0-166.9-130.3 131.9 -0.0 -0.7 23.2 8 8 A T E -ab 39 65A 0 56,-2.0 58,-1.9 -2,-0.4 2,-0.4 -0.979 4.0-162.8-117.9 134.4 2.2 -3.4 24.7 9 9 A I E -a 40 0A 0 30,-2.6 32,-2.7 -2,-0.4 33,-0.3 -0.950 22.6-134.2-109.8 132.2 6.0 -3.2 24.6 10 10 A Y S S- 0 0 3 -2,-0.4 33,-3.0 1,-0.3 34,-0.4 0.882 87.1 -11.3 -63.0 -35.8 7.6 -6.6 25.3 11 11 A K > - 0 0 14 31,-0.2 3,-0.6 30,-0.2 -1,-0.3 -0.882 55.8-149.2-162.7 123.2 10.2 -5.1 27.7 12 12 A Y T 3 S+ 0 0 54 -2,-0.3 2,-0.6 -3,-0.3 -2,-0.1 0.812 94.4 68.8 -65.4 -29.8 10.8 -1.3 28.2 13 13 A D T 3 S+ 0 0 123 4,-0.1 2,-0.5 5,-0.1 -1,-0.3 -0.220 72.4 107.5 -87.8 42.8 14.5 -2.1 29.1 14 14 A D <> - 0 0 16 -3,-0.6 4,-2.2 -2,-0.6 5,-0.2 -0.997 68.6-141.8-110.2 125.8 15.3 -3.1 25.5 15 15 A a H > S+ 0 0 47 -2,-0.5 4,-1.6 1,-0.2 3,-0.2 0.944 97.7 41.7 -54.4 -54.2 17.4 -0.4 23.9 16 16 A F H > S+ 0 0 9 1,-0.2 4,-2.1 2,-0.2 3,-0.3 0.927 115.3 48.6 -62.3 -47.9 15.7 -0.6 20.5 17 17 A M H > S+ 0 0 0 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.781 104.8 61.1 -69.3 -22.1 12.2 -1.0 21.8 18 18 A S H X S+ 0 0 23 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.924 105.6 47.3 -65.9 -41.7 12.8 2.0 24.1 19 19 A V H X S+ 0 0 45 -4,-1.6 4,-2.1 -3,-0.3 -2,-0.2 0.940 114.8 46.4 -61.4 -47.0 13.4 4.1 21.0 20 20 A V H X S+ 0 0 2 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.939 111.5 51.2 -61.1 -47.6 10.3 2.7 19.3 21 21 A R H X S+ 0 0 55 -4,-3.1 4,-2.1 1,-0.2 -1,-0.2 0.924 111.9 46.1 -56.4 -48.7 8.1 3.2 22.4 22 22 A K H X S+ 0 0 112 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.883 111.8 52.0 -63.9 -38.7 9.2 6.9 22.8 23 23 A A H X S+ 0 0 12 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.913 108.5 50.2 -65.7 -41.3 8.6 7.5 19.1 24 24 A I H X S+ 0 0 2 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.904 109.9 50.9 -66.6 -36.2 5.1 6.1 19.2 25 25 A E H X S+ 0 0 64 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.898 109.8 50.3 -66.2 -38.9 4.3 8.3 22.2 26 26 A Q H X S+ 0 0 107 -4,-2.2 4,-1.2 2,-0.2 -2,-0.2 0.905 109.8 51.2 -60.9 -42.0 5.6 11.3 20.3 27 27 A D H < S+ 0 0 44 -4,-2.4 3,-0.3 1,-0.2 -2,-0.2 0.899 110.1 49.0 -62.2 -41.0 3.4 10.3 17.4 28 28 A A H >< S+ 0 0 12 -4,-2.3 3,-2.4 1,-0.2 6,-0.3 0.873 101.5 62.1 -66.9 -39.2 0.3 10.1 19.7 29 29 A K H 3< S+ 0 0 157 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.869 102.2 54.2 -51.0 -38.0 1.0 13.5 21.3 30 30 A A T 3< S+ 0 0 85 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.338 96.9 70.8 -81.2 4.9 0.5 14.8 17.7 31 31 A A X - 0 0 9 -3,-2.4 3,-2.1 3,-0.2 -1,-0.2 -0.827 62.3-174.2-121.3 89.5 -3.0 13.1 17.4 32 32 A P T 3 S+ 0 0 118 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.768 82.0 57.6 -57.0 -26.8 -5.3 15.1 19.8 33 33 A D T 3 S+ 0 0 69 -31,-0.1 -30,-3.1 2,-0.0 2,-0.4 0.500 96.9 78.6 -81.0 -5.5 -8.1 12.6 19.2 34 34 A V E < -a 3 0A 12 -3,-2.1 2,-0.5 -6,-0.3 -30,-0.2 -0.870 56.0-164.6-115.9 139.2 -6.1 9.6 20.4 35 35 A Q E -a 4 0A 68 -32,-2.6 -30,-2.7 -2,-0.4 2,-0.4 -0.985 14.2-150.4-116.5 119.9 -5.2 8.3 23.8 36 36 A L E -a 5 0A 31 -2,-0.5 2,-0.6 -32,-0.2 -30,-0.2 -0.778 2.8-157.5 -88.3 136.9 -2.4 5.7 24.1 37 37 A L E -a 6 0A 32 -32,-2.6 -30,-2.7 -2,-0.4 2,-0.4 -0.912 21.8-159.8-112.1 99.3 -2.6 3.2 26.9 38 38 A M E -a 7 0A 43 -2,-0.6 2,-0.4 -32,-0.2 -30,-0.2 -0.677 10.4-173.6 -90.0 130.5 1.1 2.1 27.2 39 39 A N E -a 8 0A 30 -32,-2.0 -30,-2.6 -2,-0.4 2,-0.7 -0.976 20.8-149.2-128.1 136.6 2.2 -1.2 28.9 40 40 A D E -a 9 0A 45 -2,-0.4 -30,-0.2 -32,-0.2 -29,-0.1 -0.903 9.8-164.1 -94.4 114.5 5.5 -2.7 29.8 41 41 A S > - 0 0 0 -32,-2.7 3,-1.4 -2,-0.7 7,-0.3 0.505 26.2-135.7 -81.5 -2.2 5.1 -6.4 29.6 42 42 A Q T 3 - 0 0 110 -33,-0.3 -31,-0.2 1,-0.3 -32,-0.1 0.808 60.4 -66.6 56.3 34.5 8.4 -7.0 31.6 43 43 A N T 3 S+ 0 0 67 -33,-3.0 2,-0.4 -34,-0.2 -1,-0.3 0.814 109.6 116.3 57.7 37.4 9.5 -9.7 29.2 44 44 A D <> - 0 0 56 -3,-1.4 4,-2.2 -34,-0.4 3,-0.2 -0.944 52.4-159.9-140.6 111.0 6.7 -12.1 30.3 45 45 A Q H > S+ 0 0 24 -2,-0.4 4,-2.8 1,-0.2 5,-0.2 0.845 95.5 57.4 -62.3 -32.0 4.0 -13.2 27.9 46 46 A S H > S+ 0 0 68 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.907 107.9 47.2 -66.6 -38.3 1.7 -14.1 30.7 47 47 A K H > S+ 0 0 88 -3,-0.2 4,-2.3 -6,-0.2 -2,-0.2 0.922 112.6 50.2 -63.7 -43.3 1.9 -10.5 32.0 48 48 A Q H X S+ 0 0 0 -4,-2.2 4,-2.4 -7,-0.3 -2,-0.2 0.900 107.1 54.2 -61.3 -42.6 1.3 -9.2 28.5 49 49 A N H X S+ 0 0 31 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.920 110.3 46.0 -59.7 -43.3 -1.7 -11.5 28.1 50 50 A D H X S+ 0 0 103 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.894 110.5 54.1 -65.9 -39.2 -3.3 -10.1 31.3 51 51 A Q H X S+ 0 0 38 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.889 107.5 50.7 -60.5 -40.0 -2.4 -6.5 30.1 52 52 A I H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.918 107.7 52.5 -66.2 -42.0 -4.3 -7.2 26.8 53 53 A D H X S+ 0 0 72 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.928 111.1 48.1 -56.5 -44.1 -7.3 -8.4 28.7 54 54 A V H X S+ 0 0 70 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.923 110.8 50.2 -64.9 -43.7 -7.3 -5.2 30.8 55 55 A L H <>S+ 0 0 2 -4,-2.5 5,-1.6 1,-0.2 -1,-0.2 0.919 111.4 48.2 -60.2 -45.2 -6.9 -3.0 27.6 56 56 A L H ><5S+ 0 0 12 -4,-2.7 3,-1.6 1,-0.2 -1,-0.2 0.904 109.1 53.1 -63.2 -39.2 -9.8 -4.8 26.0 57 57 A A H 3<5S+ 0 0 90 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.802 103.9 58.3 -65.6 -27.8 -12.0 -4.4 29.1 58 58 A K T 3<5S- 0 0 115 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.365 119.6-111.8 -82.0 2.4 -11.1 -0.6 29.0 59 59 A G T < 5 + 0 0 48 -3,-1.6 -55,-0.3 1,-0.2 -3,-0.2 0.778 46.8 178.9 75.9 31.7 -12.7 -0.4 25.5 60 60 A V < - 0 0 5 -5,-1.6 -55,-0.2 1,-0.1 -1,-0.2 -0.351 23.7-148.0 -60.4 146.9 -9.6 0.2 23.3 61 61 A K S S+ 0 0 115 -57,-3.0 2,-0.3 1,-0.2 -56,-0.2 0.536 77.9 13.9 -96.7 -9.2 -10.5 0.5 19.6 62 62 A A E -b 5 0A 1 -58,-0.7 -56,-2.4 23,-0.2 2,-0.4 -0.970 66.0-141.7-156.5 156.8 -7.2 -1.0 18.4 63 63 A L E -bc 6 87A 0 23,-2.1 25,-2.8 -2,-0.3 2,-0.5 -0.970 3.3-164.4-118.6 139.2 -4.2 -2.9 19.8 64 64 A A E -bc 7 88A 1 -58,-2.7 -56,-2.0 -2,-0.4 2,-0.5 -0.988 23.9-169.2-117.7 114.4 -0.6 -2.4 18.9 65 65 A I E -bc 8 89A 0 23,-1.9 25,-2.2 -2,-0.5 2,-0.8 -0.932 26.3-171.9-120.5 121.4 1.3 -5.4 20.2 66 66 A N - 0 0 0 -58,-1.9 25,-0.1 -2,-0.5 27,-0.1 -0.920 36.9-138.5-101.9 97.6 5.0 -6.1 20.5 67 67 A L - 0 0 0 -2,-0.8 -57,-0.2 25,-0.4 -22,-0.1 -0.212 19.5-154.1 -59.4 146.7 4.9 -9.7 21.5 68 68 A V S S+ 0 0 18 1,-0.3 -1,-0.1 -58,-0.1 3,-0.1 0.917 96.7 30.4 -74.1 -54.6 7.1 -11.2 24.2 69 69 A D S > S- 0 0 77 1,-0.1 3,-2.1 23,-0.0 -1,-0.3 -0.919 73.2-153.8-106.3 115.6 6.7 -14.6 22.5 70 70 A P G > S+ 0 0 27 0, 0.0 3,-1.5 0, 0.0 25,-0.3 0.828 96.5 61.3 -53.7 -34.1 6.2 -14.6 18.7 71 71 A A G > S+ 0 0 87 1,-0.3 3,-0.6 2,-0.1 4,-0.3 0.637 90.2 69.9 -70.6 -14.5 4.3 -17.9 18.9 72 72 A A G <> + 0 0 8 -3,-2.1 4,-2.3 1,-0.2 -1,-0.3 0.376 66.6 101.1 -82.3 4.5 1.7 -16.3 21.1 73 73 A A H <> S+ 0 0 2 -3,-1.5 4,-3.0 1,-0.2 -1,-0.2 0.904 80.6 51.7 -55.2 -43.4 0.4 -14.2 18.2 74 74 A G H <> S+ 0 0 28 -3,-0.6 4,-2.3 1,-0.2 -1,-0.2 0.926 108.6 50.4 -59.7 -46.1 -2.5 -16.7 17.8 75 75 A T H > S+ 0 0 75 -4,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.910 113.4 46.0 -54.4 -48.4 -3.4 -16.4 21.5 76 76 A V H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.921 109.2 55.0 -66.3 -42.7 -3.4 -12.6 21.2 77 77 A I H X S+ 0 0 0 -4,-3.0 4,-3.0 1,-0.2 -2,-0.2 0.902 105.5 52.4 -56.4 -43.1 -5.4 -12.6 18.0 78 78 A E H X S+ 0 0 99 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.875 108.5 50.9 -66.9 -33.3 -8.2 -14.7 19.7 79 79 A K H X S+ 0 0 50 -4,-1.6 4,-0.6 2,-0.2 3,-0.5 0.962 113.3 45.0 -62.3 -50.5 -8.3 -12.1 22.5 80 80 A A H ><>S+ 0 0 0 -4,-2.5 5,-2.3 1,-0.2 3,-1.3 0.904 108.6 57.2 -59.0 -42.7 -8.7 -9.3 20.0 81 81 A R H ><5S+ 0 0 92 -4,-3.0 3,-1.0 1,-0.3 -1,-0.2 0.828 95.3 66.0 -60.3 -32.1 -11.2 -11.2 18.0 82 82 A G H 3<5S+ 0 0 61 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.783 114.4 30.3 -59.7 -29.8 -13.5 -11.5 21.1 83 83 A Q T <<5S- 0 0 117 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.272 109.9-122.2-105.4 1.7 -13.9 -7.7 21.0 84 84 A N T < 5 + 0 0 95 -3,-1.0 -3,-0.2 -4,-0.4 -2,-0.1 0.872 60.1 155.1 50.7 42.9 -13.6 -7.6 17.2 85 85 A V < - 0 0 12 -5,-2.3 -1,-0.2 -6,-0.1 -23,-0.2 -0.793 44.4-117.1-100.9 136.8 -10.7 -5.2 17.7 86 86 A P - 0 0 10 0, 0.0 -23,-2.1 0, 0.0 2,-0.4 -0.396 26.1-154.1 -70.5 152.1 -7.9 -4.7 15.1 87 87 A V E -cd 63 105A 0 17,-2.3 19,-2.4 -25,-0.2 2,-0.7 -0.990 11.2-164.9-133.7 124.3 -4.3 -5.6 16.1 88 88 A V E -cd 64 106A 0 -25,-2.8 -23,-1.9 -2,-0.4 2,-0.2 -0.923 15.8-158.1-104.7 103.5 -1.1 -4.2 14.6 89 89 A F E -cd 65 107A 0 17,-2.8 19,-2.3 -2,-0.7 2,-0.3 -0.588 14.3-167.6 -73.1 146.6 1.7 -6.5 15.6 90 90 A F E - d 0 108A 4 -25,-2.2 2,-1.7 -2,-0.2 -23,-0.3 -1.000 50.0 -8.1-144.4 144.4 5.1 -4.8 15.5 91 91 A N S S+ 0 0 13 17,-2.0 2,-0.6 -2,-0.3 63,-0.2 -0.163 115.4 68.4 72.1 -37.9 8.8 -5.8 15.7 92 92 A K S S- 0 0 1 -2,-1.7 -25,-0.4 -27,-0.2 -2,-0.1 -0.945 87.2-139.7-108.6 109.7 8.3 -9.5 16.6 93 93 A E - 0 0 40 -2,-0.6 3,-0.1 -27,-0.1 -20,-0.1 -0.547 6.7-142.0 -82.0 122.5 6.7 -11.0 13.5 94 94 A P - 0 0 4 0, 0.0 -23,-0.1 0, 0.0 -1,-0.1 -0.322 35.8 -88.6 -66.3 161.7 3.9 -13.5 13.7 95 95 A S > - 0 0 69 -25,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.259 34.6-112.4 -63.6 158.4 3.8 -16.4 11.3 96 96 A R H > S+ 0 0 88 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.905 120.0 54.7 -58.2 -43.0 2.0 -15.9 8.0 97 97 A K H > S+ 0 0 97 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.924 107.8 48.9 -58.0 -46.3 -0.7 -18.4 9.1 98 98 A A H >4 S+ 0 0 14 1,-0.2 3,-1.1 2,-0.2 4,-0.3 0.949 111.9 48.1 -58.5 -50.6 -1.3 -16.4 12.3 99 99 A L H >< S+ 0 0 0 -4,-2.5 3,-1.1 1,-0.3 6,-0.4 0.906 112.2 49.5 -57.3 -41.5 -1.6 -13.1 10.3 100 100 A D H 3< S+ 0 0 79 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.593 93.8 76.5 -75.7 -9.2 -4.0 -14.7 7.9 101 101 A S T << S+ 0 0 49 -3,-1.1 2,-0.3 -4,-0.8 -1,-0.2 0.594 102.5 35.1 -76.0 -12.0 -6.2 -16.1 10.7 102 102 A Y X - 0 0 9 -3,-1.1 3,-1.9 -4,-0.3 -1,-0.2 -0.956 68.0-149.1-147.1 120.4 -7.7 -12.7 11.3 103 103 A D T 3 S+ 0 0 134 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.732 99.8 57.2 -66.1 -18.6 -8.5 -10.2 8.7 104 104 A K T 3 S+ 0 0 78 -19,-0.1 -17,-2.3 -27,-0.1 2,-0.4 0.240 85.4 102.7 -95.4 13.8 -7.9 -7.3 11.2 105 105 A A E < +d 87 0A 0 -3,-1.9 2,-0.3 -6,-0.4 -17,-0.2 -0.853 45.1 167.8 -99.5 133.5 -4.4 -8.5 12.0 106 106 A Y E -d 88 0A 40 -19,-2.4 -17,-2.8 -2,-0.4 2,-0.4 -0.832 21.1-141.1-133.9 168.4 -1.4 -6.6 10.5 107 107 A Y E -de 89 290A 4 182,-2.3 184,-2.6 -2,-0.3 2,-0.4 -0.996 8.5-170.3-140.4 134.5 2.3 -6.4 11.0 108 108 A V E +de 90 291A 0 -19,-2.3 -17,-2.0 -2,-0.4 2,-0.2 -0.989 44.1 88.9-119.2 125.3 4.9 -3.6 11.0 109 109 A G E - e 0 292A 0 182,-2.8 184,-2.5 -2,-0.4 2,-0.3 -0.623 64.9 -64.9-169.7-127.3 8.6 -4.4 11.0 110 110 A T - 0 0 4 182,-0.3 2,-1.1 -2,-0.2 3,-0.1 -0.865 42.1 -94.9-144.2 167.6 11.5 -5.2 8.7 111 111 A D >> - 0 0 49 182,-0.4 3,-1.0 -2,-0.3 4,-0.8 -0.826 44.4-160.2 -87.2 96.3 12.8 -7.6 6.1 112 112 A S H 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154 A D H > S+ 0 0 5 -63,-0.2 4,-2.3 2,-0.2 5,-0.3 0.888 111.6 48.3 -68.9 -39.3 15.4 -11.2 13.5 155 155 A A H > S+ 0 0 0 -3,-0.4 4,-1.8 -6,-0.2 5,-0.2 0.936 114.8 44.9 -63.5 -45.2 17.8 -13.5 15.5 156 156 A E H X S+ 0 0 69 -4,-2.6 4,-2.3 -7,-0.2 5,-0.2 0.941 118.2 42.0 -66.9 -45.5 17.3 -16.4 13.1 157 157 A A H X S+ 0 0 14 -4,-2.3 4,-2.9 -5,-0.3 5,-0.3 0.893 114.0 50.1 -69.8 -42.9 17.7 -14.3 9.9 158 158 A R H X S+ 0 0 3 -4,-2.3 4,-1.6 -5,-0.2 5,-0.2 0.882 113.5 47.5 -64.4 -35.9 20.6 -12.2 11.1 159 159 A T H X S+ 0 0 16 -4,-1.8 4,-0.9 -5,-0.3 -2,-0.2 0.934 117.8 40.1 -69.4 -48.3 22.5 -15.3 12.2 160 160 A T H X S+ 0 0 78 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.941 119.8 43.3 -63.7 -49.2 21.9 -17.2 9.0 161 161 A Y H X S+ 0 0 74 -4,-2.9 4,-2.4 2,-0.2 5,-0.2 0.747 102.6 61.3 -83.0 -24.6 22.4 -14.4 6.6 162 162 A V H X S+ 0 0 0 -4,-1.6 4,-1.8 -5,-0.3 -1,-0.2 0.947 115.2 37.9 -61.8 -42.3 25.5 -12.7 8.0 163 163 A I H X S+ 0 0 26 -4,-0.9 4,-2.8 -5,-0.2 5,-0.2 0.903 115.2 52.7 -75.2 -42.5 27.4 -15.9 7.4 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34.1 -18.6 8.0 174 174 A E E -g 142 0B 83 -33,-2.7 -31,-2.2 -2,-0.3 2,-0.9 -0.978 18.8-139.7-125.5 117.5 34.8 -20.9 11.0 175 175 A Q E +g 143 0B 116 -2,-0.4 -31,-0.2 -33,-0.2 3,-0.1 -0.654 26.2 171.5 -77.6 106.2 32.3 -20.7 13.8 176 176 A L E - 0 0 40 -33,-2.9 2,-0.3 -2,-0.9 -32,-0.2 0.815 69.8 -3.3 -82.0 -37.6 34.3 -20.9 17.1 177 177 A Q E +g 144 0B 85 -34,-0.9 -32,-1.7 2,-0.0 -1,-0.3 -0.977 58.3 177.8-151.6 150.2 31.3 -20.2 19.3 178 178 A L E +g 145 0B 56 -2,-0.3 2,-0.3 -34,-0.2 -32,-0.2 -0.900 18.9 144.2-153.4 125.8 27.7 -19.3 19.0 179 179 A D E -g 146 0B 64 -34,-1.9 -32,-2.6 -2,-0.3 2,-0.3 -0.984 45.2-101.4-155.3 157.7 25.2 -18.8 21.8 180 180 A T E +g 147 0B 34 -2,-0.3 -32,-0.2 -34,-0.2 -31,-0.1 -0.601 22.2 179.4 -79.4 140.7 22.2 -16.7 22.6 181 181 A A > - 0 0 0 -34,-2.7 3,-2.4 -2,-0.3 7,-0.3 0.096 47.6-121.0-121.6 19.2 22.5 -13.7 24.9 182 182 A M T 3 - 0 0 64 -35,-0.7 -34,-0.2 -34,-0.4 3,-0.1 0.739 62.1 -65.5 56.4 32.7 18.7 -12.9 24.5 183 183 A W T 3 S+ 0 0 15 -36,-0.5 2,-0.3 1,-0.2 -1,-0.3 0.460 104.6 132.1 72.0 7.1 19.3 -9.4 23.1 184 184 A D <> - 0 0 49 -3,-2.4 4,-1.8 1,-0.1 -1,-0.2 -0.724 55.8-147.6-105.2 136.8 20.8 -8.4 26.5 185 185 A T H > S+ 0 0 57 -2,-0.3 4,-2.6 2,-0.2 5,-0.2 0.923 98.2 48.0 -62.8 -48.9 24.1 -6.5 27.2 186 186 A A H > S+ 0 0 51 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.915 112.3 48.3 -65.5 -43.1 24.9 -8.2 30.5 187 187 A Q H > S+ 0 0 91 -6,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.901 113.3 48.9 -61.9 -40.1 24.4 -11.7 29.2 188 188 A A H X S+ 0 0 0 -4,-1.8 4,-2.8 -7,-0.3 5,-0.2 0.897 109.2 51.7 -67.8 -41.3 26.5 -10.9 26.2 189 189 A K H X S+ 0 0 87 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.938 112.2 46.5 -59.0 -46.2 29.3 -9.5 28.3 190 190 A D H X S+ 0 0 102 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.891 113.9 47.7 -66.3 -38.8 29.4 -12.5 30.5 191 191 A K H X S+ 0 0 64 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.922 113.5 47.0 -67.5 -45.3 29.3 -14.9 27.5 192 192 A M H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.891 110.2 53.8 -62.4 -41.1 32.0 -13.1 25.6 193 193 A D H X S+ 0 0 56 -4,-2.5 4,-1.0 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213 A A H > S+ 0 0 10 22,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.939 111.1 40.5 -59.5 -44.7 23.1 -4.2 23.1 214 214 A M H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.899 113.0 55.0 -70.9 -39.7 24.9 -7.6 22.8 215 215 A A H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.916 106.3 52.5 -55.7 -41.8 27.7 -6.1 20.8 216 216 A M H X S+ 0 0 12 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.877 106.8 52.2 -67.7 -34.8 28.2 -3.5 23.5 217 217 A G H X S+ 0 0 0 -4,-1.6 4,-2.1 -5,-0.2 -1,-0.2 0.925 109.5 50.0 -62.2 -44.0 28.5 -6.2 26.1 218 218 A A H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.908 105.8 56.4 -60.9 -41.5 31.1 -7.9 24.0 219 219 A V H X S+ 0 0 15 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.904 108.2 47.9 -56.1 -42.1 33.0 -4.6 23.7 220 220 A E H X S+ 0 0 98 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.898 111.0 49.6 -69.4 -39.2 33.2 -4.4 27.5 221 221 A A H X S+ 0 0 0 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.917 110.7 50.5 -64.2 -43.6 34.4 -8.0 27.8 222 222 A L H <>S+ 0 0 3 -4,-2.8 5,-3.1 1,-0.2 3,-0.5 0.919 109.1 51.9 -58.2 -43.9 37.1 -7.4 25.2 223 223 A K H ><5S+ 0 0 138 -4,-2.1 3,-1.4 1,-0.2 -1,-0.2 0.912 106.0 54.1 -59.9 -43.5 38.2 -4.3 27.0 224 224 A A H 3<5S+ 0 0 76 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.796 113.8 42.2 -62.6 -28.4 38.5 -6.3 30.3 225 225 A H T 3<5S- 0 0 63 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.300 112.2-115.9 -98.6 6.6 40.8 -8.8 28.5 226 226 A N T < 5S+ 0 0 146 -3,-1.4 -3,-0.2 -4,-0.3 3,-0.2 0.884 82.4 122.9 56.0 41.3 42.9 -6.2 26.6 227 227 A K > < + 0 0 60 -5,-3.1 3,-2.2 -6,-0.1 -4,-0.2 0.017 15.8 125.3-119.8 25.7 41.5 -7.7 23.4 228 228 A S T 3 + 0 0 74 -6,-0.4 -1,-0.1 1,-0.3 -5,-0.1 0.627 57.5 81.4 -65.5 -12.7 39.9 -4.6 21.9 229 229 A S T 3 S+ 0 0 94 -3,-0.2 -1,-0.3 -7,-0.1 -2,-0.1 0.698 74.3 90.1 -59.6 -22.3 41.9 -5.2 18.7 230 230 A I S < S- 0 0 8 -3,-2.2 2,-0.2 -24,-0.1 -24,-0.2 -0.681 84.6-126.2 -77.5 125.8 39.2 -7.7 17.8 231 231 A P - 0 0 11 0, 0.0 -24,-2.7 0, 0.0 2,-0.4 -0.508 19.8-155.8 -77.2 148.7 36.4 -6.0 15.9 232 232 A V E -i 207 0B 2 17,-0.2 19,-2.4 -26,-0.2 20,-0.9 -0.961 5.0-164.7-124.0 136.8 32.8 -6.2 16.9 233 233 A F E +ij 208 252B 0 -26,-2.0 -24,-2.3 -2,-0.4 20,-0.2 -0.961 13.1 171.1-123.4 140.1 29.7 -5.7 14.7 234 234 A G - 0 0 0 18,-2.2 2,-0.3 -2,-0.4 -22,-0.2 -0.561 24.7-122.5-127.3-169.6 26.1 -5.1 15.7 235 235 A V S S+ 0 0 0 18,-0.2 -23,-2.1 -2,-0.2 -22,-0.3 -0.962 75.5 45.4-143.7 132.3 22.6 -4.2 14.5 236 236 A D B S-k 255 0C 8 18,-3.2 20,-2.0 -2,-0.3 22,-0.2 -0.270 76.8-125.4 145.5 -35.7 20.3 -1.3 15.4 237 237 A A - 0 0 10 18,-0.2 18,-0.1 1,-0.1 -1,-0.1 0.898 41.1-175.4 58.3 43.6 22.4 1.9 15.4 238 238 A a >> - 0 0 4 1,-0.1 4,-2.0 -3,-0.1 3,-0.6 -0.363 39.3-104.3 -59.0 150.2 21.1 2.6 18.9 239 239 A P H 3> S+ 0 0 93 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.880 121.7 49.4 -48.8 -46.1 22.4 6.0 20.2 240 240 A E H 3> S+ 0 0 122 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.864 109.2 54.0 -62.2 -36.6 25.1 4.5 22.4 241 241 A A H <> S+ 0 0 0 -3,-0.6 4,-1.9 1,-0.2 -1,-0.2 0.891 103.2 54.6 -67.6 -39.3 26.3 2.3 19.6 242 242 A L H X S+ 0 0 27 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.886 104.9 54.7 -62.1 -37.3 26.8 5.2 17.2 243 243 A A H X S+ 0 0 53 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.853 108.6 49.3 -60.3 -36.2 29.0 6.8 19.8 244 244 A L H X>S+ 0 0 38 -4,-1.3 6,-2.0 2,-0.2 4,-1.0 0.774 105.9 54.7 -77.9 -27.5 31.1 3.6 19.8 245 245 A V H ><5S+ 0 0 1 -4,-1.9 3,-0.6 4,-0.2 -2,-0.2 0.945 110.3 48.9 -63.4 -45.0 31.3 3.6 16.0 246 246 A K H 3<5S+ 0 0 159 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.912 114.3 44.3 -56.3 -46.2 32.7 7.2 16.4 247 247 A S H 3<5S- 0 0 80 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.626 112.3-118.1 -77.9 -14.6 35.2 6.0 19.1 248 248 A G T <<5S+ 0 0 44 -4,-1.0 -3,-0.2 -3,-0.6 -4,-0.1 0.405 85.3 115.1 89.7 -0.5 36.2 2.9 17.1 249 249 A A S + 0 0 31 -2,-0.6 4,-1.9 37,-0.4 5,-0.2 -0.504 39.4 167.5 -81.2 85.7 14.6 2.4 11.7 258 258 A A H > S+ 0 0 6 -2,-1.7 4,-2.7 -22,-0.2 5,-0.2 0.855 71.8 59.2 -63.4 -38.5 12.7 2.7 14.9 259 259 A N H > S+ 0 0 107 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.937 110.3 39.5 -61.9 -48.0 11.2 6.1 14.0 260 260 A N H > S+ 0 0 62 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.844 114.1 53.5 -73.4 -32.0 9.5 4.9 10.8 261 261 A Q H X S+ 0 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-0.847 75.7-129.7-130.8 169.5 -0.6 7.7 4.3 283 283 A N + 0 0 163 -2,-0.3 2,-0.1 -3,-0.1 -3,-0.1 0.252 61.4 133.3-101.0 10.5 2.2 6.6 1.9 284 284 A W - 0 0 49 -5,-0.2 2,-0.8 1,-0.1 -2,-0.1 -0.417 51.8-140.6 -66.6 134.0 2.7 3.3 3.6 285 285 A K - 0 0 188 7,-0.1 2,-0.6 -2,-0.1 7,-0.4 -0.875 16.5-163.3 -96.6 107.3 2.9 0.4 1.2 286 286 A I - 0 0 53 -2,-0.8 2,-0.6 5,-0.1 5,-0.2 -0.847 3.0-167.6 -94.0 123.2 1.1 -2.6 2.8 287 287 A D B > S-F 290 0A 130 3,-2.8 3,-1.2 -2,-0.6 -2,-0.0 -0.943 75.8 -27.4-114.9 105.5 2.0 -5.9 1.2 288 288 A N T 3 S- 0 0 92 -2,-0.6 -1,-0.2 1,-0.3 3,-0.1 0.927 128.3 -47.1 51.0 49.7 -0.4 -8.7 2.3 289 289 A K T 3 S+ 0 0 29 1,-0.2 -182,-2.3 -183,-0.1 2,-0.4 0.497 118.2 110.4 73.7 13.0 -1.0 -6.8 5.6 290 290 A V E < -eF 107 287A 5 -3,-1.2 -3,-2.8 -184,-0.2 2,-0.5 -0.949 47.7-164.7-123.8 135.4 2.7 -6.2 6.3 291 291 A V E -e 108 0A 5 -184,-2.6 -182,-2.8 -2,-0.4 2,-0.4 -0.977 11.7-168.0-110.8 128.4 4.8 -3.0 6.3 292 292 A R E -e 109 0A 103 -2,-0.5 -182,-0.3 -7,-0.4 -7,-0.1 -0.976 7.0-153.8-118.6 132.7 8.6 -3.5 6.2 293 293 A V - 0 0 8 -184,-2.5 -182,-0.4 -2,-0.4 -36,-0.2 -0.895 26.5-110.5-107.7 125.9 11.0 -0.6 6.8 294 294 A P - 0 0 80 0, 0.0 -37,-0.4 0, 0.0 2,-0.2 -0.199 20.8-139.3 -59.4 145.5 14.5 -0.7 5.3 295 295 A Y - 0 0 7 -184,-0.1 2,-0.3 -39,-0.1 -39,-0.2 -0.631 14.5-157.8 -89.3 160.2 17.7 -1.2 7.2 296 296 A V E -L 255 0C 65 -41,-1.3 -41,-3.3 -2,-0.2 2,-0.1 -0.983 17.8-120.4-144.0 126.1 20.9 0.8 6.3 297 297 A G E -L 254 0C 15 -2,-0.3 2,-0.4 -43,-0.3 -43,-0.3 -0.374 28.7-163.4 -65.7 144.8 24.5 -0.1 7.1 298 298 A V E +L 253 0C 0 -45,-2.9 -45,-2.7 -2,-0.1 2,-0.2 -0.996 22.9 137.3-135.1 128.5 26.5 2.3 9.3 299 299 A D >> - 0 0 3 -2,-0.4 3,-1.2 -47,-0.2 4,-1.2 -0.843 69.0 -72.0-149.6-172.1 30.2 2.6 9.9 300 300 A K T 34 S+ 0 0 132 -49,-0.4 4,-0.4 -2,-0.2 3,-0.1 0.808 123.5 63.5 -59.7 -27.6 32.8 5.4 10.1 301 301 A D T 34 S+ 0 0 134 1,-0.2 -1,-0.2 2,-0.1 3,-0.0 0.769 121.1 18.6 -71.9 -25.4 32.6 6.1 6.3 302 302 A N T X4 S+ 0 0 46 -3,-1.2 3,-2.0 2,-0.1 4,-0.3 0.280 89.4 110.9-124.1 11.6 28.9 7.1 6.4 303 303 A L G >X + 0 0 20 -4,-1.2 3,-2.8 1,-0.3 4,-1.0 0.821 66.6 72.5 -55.0 -34.8 28.5 7.9 10.1 304 304 A A G 34 S+ 0 0 88 -4,-0.4 -1,-0.3 1,-0.3 3,-0.1 0.740 92.8 56.3 -55.0 -26.8 28.1 11.7 9.3 305 305 A E G <4 S+ 0 0 152 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.570 117.0 33.9 -79.3 -9.6 24.7 10.9 7.8 306 306 A F T <4 0 0 57 -3,-2.8 -2,-0.2 -4,-0.3 -1,-0.2 0.395 360.0 360.0-123.4 -2.1 23.5 9.3 11.1 307 307 A S < 0 0 116 -4,-1.0 -3,-0.1 -3,-0.1 -2,-0.1 0.201 360.0 360.0-106.6 360.0 25.2 11.3 13.9