==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER GALACTOSE-BINDING PROTEIN 27-DEC-93 1GLG . COMPND 2 MOLECULE: GALACTOSE/GLUCOSE-BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.N.VYAS,N.K.VYAS,F.A.QUIOCHO . 309 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13398.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 237 76.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 47 15.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.9 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 . 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 . 23 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 107 34.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.9 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 2 0 1 0 2 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 0 130 0, 0.0 2,-0.5 0, 0.0 32,-0.0 0.000 360.0 360.0 360.0-166.5 48.2 12.0 22.8 2 2 A D - 0 0 103 32,-0.1 2,-0.5 1,-0.0 32,-0.2 -0.364 360.0-162.0 -71.9 110.8 49.4 14.0 25.9 3 3 A T E -a 34 0A 14 30,-2.9 32,-3.2 -2,-0.5 2,-0.5 -0.792 11.3-146.0 -87.5 126.9 47.3 17.0 26.5 4 4 A R E -a 35 0A 99 -2,-0.5 57,-3.0 55,-0.3 58,-0.8 -0.881 15.2-173.9-101.8 126.8 49.1 19.5 28.8 5 5 A I E -ab 36 62A 2 30,-2.7 32,-2.6 -2,-0.5 2,-0.4 -0.980 12.6-148.3-121.4 123.9 47.0 21.5 31.3 6 6 A G E -ab 37 63A 0 56,-2.2 58,-2.4 -2,-0.5 2,-0.4 -0.738 16.4-172.4 -90.8 136.8 48.6 24.3 33.4 7 7 A V E -ab 38 64A 2 30,-2.9 32,-1.7 -2,-0.4 2,-0.4 -0.994 9.3-166.5-132.9 134.6 47.2 25.0 36.9 8 8 A T E -ab 39 65A 0 56,-1.9 58,-1.6 -2,-0.4 2,-0.5 -0.982 3.5-163.8-124.1 134.7 48.0 27.8 39.4 9 9 A I E -a 40 0A 1 30,-2.4 32,-2.7 -2,-0.4 33,-0.3 -0.953 23.7-133.7-109.6 126.0 46.8 27.7 43.0 10 10 A Y S S- 0 0 2 -2,-0.5 33,-2.8 1,-0.2 34,-0.4 0.808 87.6 -8.9 -56.5 -30.9 47.1 31.1 44.7 11 11 A K > - 0 0 24 31,-0.2 3,-1.5 30,-0.2 -1,-0.2 -0.831 61.1-145.5-167.7 116.6 48.8 29.7 47.8 12 12 A Y T 3 S+ 0 0 55 -3,-0.3 9,-0.1 -2,-0.3 -2,-0.1 0.779 96.2 57.8 -62.7 -24.6 49.2 26.0 48.6 13 13 A D T 3 S+ 0 0 125 4,-0.1 2,-0.4 5,-0.0 -1,-0.2 0.417 71.9 117.1 -92.9 11.4 48.8 26.3 52.5 14 14 A D <> - 0 0 15 -3,-1.5 4,-1.6 1,-0.2 5,-0.2 -0.670 68.4-137.4 -66.9 124.5 45.3 27.9 52.2 15 15 A N H > S+ 0 0 40 -2,-0.4 4,-1.0 168,-0.3 -1,-0.2 0.899 97.1 40.8 -53.4 -51.9 43.2 25.3 54.0 16 16 A F H >> S+ 0 0 10 1,-0.2 4,-1.8 2,-0.2 3,-0.8 0.925 114.9 49.6 -64.7 -51.8 40.3 25.3 51.5 17 17 A M H 3> S+ 0 0 1 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.711 102.6 65.7 -62.7 -19.2 42.4 25.5 48.3 18 18 A S H 3X S+ 0 0 27 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.890 104.8 43.1 -66.5 -40.9 44.5 22.6 49.7 19 19 A V H < S+ 0 0 51 -4,-2.6 3,-0.9 1,-0.2 -1,-0.2 0.856 107.7 53.1 -62.5 -37.9 40.5 13.7 39.0 28 28 A A H >< S+ 0 0 11 -4,-2.2 3,-2.9 1,-0.2 6,-0.3 0.817 92.9 72.8 -67.9 -31.5 43.4 13.9 36.6 29 29 A K H 3< S+ 0 0 153 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.695 95.8 54.5 -51.5 -28.1 44.7 10.5 37.7 30 30 A A T << S+ 0 0 84 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.341 91.6 75.0 -91.1 2.5 41.8 9.1 35.8 31 31 A A X - 0 0 10 -3,-2.9 3,-1.8 1,-0.1 -1,-0.1 -0.869 61.0-173.5-116.1 90.7 42.6 10.9 32.4 32 32 A P T 3 S+ 0 0 120 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.814 80.8 54.5 -52.8 -34.9 45.5 8.9 31.1 33 33 A D T 3 S+ 0 0 57 -3,-0.1 -30,-2.9 -31,-0.1 2,-0.4 0.487 94.1 86.8 -79.0 -9.2 46.0 11.3 28.1 34 34 A V E < -a 3 0A 16 -3,-1.8 2,-0.5 -6,-0.3 -30,-0.2 -0.829 54.8-164.5-104.4 141.7 46.4 14.4 30.3 35 35 A Q E -a 4 0A 78 -32,-3.2 -30,-2.7 -2,-0.4 2,-0.5 -0.981 13.7-151.1-118.9 122.9 49.5 15.8 32.0 36 36 A L E -a 5 0A 37 -2,-0.5 2,-0.7 -32,-0.2 -30,-0.2 -0.877 7.4-162.2-102.5 127.9 49.0 18.4 34.7 37 37 A L E -a 6 0A 27 -32,-2.6 -30,-2.9 -2,-0.5 2,-0.3 -0.932 19.2-168.4-106.9 100.5 51.5 21.1 35.5 38 38 A M E -a 7 0A 37 -2,-0.7 2,-0.4 -32,-0.2 -30,-0.2 -0.719 4.3-170.8 -92.3 138.3 50.7 22.5 39.0 39 39 A N E -a 8 0A 42 -32,-1.7 -30,-2.4 -2,-0.3 2,-0.6 -0.991 21.3-142.5-133.4 142.4 52.2 25.7 40.5 40 40 A D E -a 9 0A 45 -2,-0.4 -30,-0.2 -32,-0.2 -29,-0.1 -0.909 12.0-163.8 -94.8 113.7 52.1 27.2 44.0 41 41 A S > - 0 0 0 -32,-2.7 3,-1.4 -2,-0.6 6,-0.3 0.506 25.9-137.2 -81.4 -1.3 51.9 31.1 43.5 42 42 A Q T 3 - 0 0 129 -33,-0.3 -31,-0.2 1,-0.3 -32,-0.1 0.854 60.0 -66.0 48.8 41.6 52.9 31.6 47.1 43 43 A N T 3 S+ 0 0 73 -33,-2.8 2,-0.4 -34,-0.2 -1,-0.3 0.787 108.9 116.2 54.6 38.4 50.3 34.4 47.4 44 44 A D <> - 0 0 54 -3,-1.4 4,-2.1 -34,-0.4 3,-0.5 -0.935 52.7-158.8-136.7 113.3 52.0 36.7 45.0 45 45 A Q H > S+ 0 0 25 -2,-0.4 4,-2.7 1,-0.2 5,-0.1 0.818 96.6 58.5 -59.3 -29.9 50.4 37.8 41.7 46 46 A S H > S+ 0 0 78 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.902 107.2 46.0 -63.7 -42.0 53.8 38.7 40.3 47 47 A K H > S+ 0 0 88 -3,-0.5 4,-2.1 -6,-0.3 -2,-0.2 0.861 113.6 49.6 -65.1 -41.6 55.0 35.1 40.8 48 48 A Q H X S+ 0 0 0 -4,-2.1 4,-2.2 -7,-0.3 -2,-0.2 0.901 106.8 55.1 -67.4 -37.8 51.8 33.8 39.3 49 49 A N H X S+ 0 0 33 -4,-2.7 4,-1.4 1,-0.2 -2,-0.2 0.932 110.6 45.5 -60.9 -43.5 52.2 36.1 36.2 50 50 A D H X S+ 0 0 106 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.875 109.8 55.9 -64.7 -41.5 55.7 34.6 35.7 51 51 A Q H X S+ 0 0 40 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.872 105.8 50.4 -60.2 -39.7 54.3 31.1 36.2 52 52 A I H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.798 107.7 53.4 -64.8 -37.8 51.7 31.5 33.4 53 53 A D H X S+ 0 0 73 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.879 109.4 48.8 -64.4 -46.2 54.3 32.7 31.0 54 54 A V H X S+ 0 0 80 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.902 111.9 49.6 -61.0 -46.7 56.4 29.6 31.7 55 55 A L H <>S+ 0 0 4 -4,-2.1 5,-1.2 2,-0.2 3,-0.3 0.885 110.5 48.1 -57.5 -48.4 53.3 27.4 31.2 56 56 A L H ><5S+ 0 0 10 -4,-2.5 3,-1.4 1,-0.2 -1,-0.2 0.851 109.0 55.8 -62.2 -37.3 52.3 29.1 27.9 57 57 A A H 3<5S+ 0 0 87 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.827 102.3 56.6 -63.6 -32.7 56.0 28.6 26.8 58 58 A K T 3<5S- 0 0 118 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.273 118.1-111.9 -84.7 6.7 55.6 24.9 27.6 59 59 A G T < 5 - 0 0 45 -3,-1.4 -55,-0.3 1,-0.2 -3,-0.2 0.812 45.5-178.8 68.9 40.4 52.7 24.6 25.1 60 60 A V < - 0 0 7 -5,-1.2 -55,-0.2 1,-0.1 -1,-0.2 -0.427 24.5-145.7 -66.0 148.4 49.7 23.9 27.5 61 61 A K S S+ 0 0 120 -57,-3.0 2,-0.3 1,-0.2 -56,-0.2 0.530 80.2 9.9 -91.6 -11.3 46.4 23.4 25.6 62 62 A A E -b 5 0A 0 -58,-0.8 -56,-2.2 23,-0.2 2,-0.4 -0.978 65.8-139.3-163.2 154.8 44.5 25.0 28.5 63 63 A L E -bc 6 87A 0 23,-2.1 25,-2.5 -2,-0.3 2,-0.5 -0.954 3.6-164.2-120.4 143.7 45.0 26.9 31.7 64 64 A A E -bc 7 88A 3 -58,-2.4 -56,-1.9 -2,-0.4 2,-0.5 -0.982 24.7-167.2-125.7 104.1 43.1 26.5 35.1 65 65 A I E -bc 8 89A 0 23,-1.6 25,-2.0 -2,-0.5 2,-0.7 -0.920 27.5-171.9-111.8 128.6 43.9 29.6 37.1 66 66 A N - 0 0 0 -58,-1.6 25,-0.1 -2,-0.5 27,-0.1 -0.932 35.1-140.8-108.9 93.3 43.3 30.4 40.8 67 67 A L - 0 0 0 -2,-0.7 -57,-0.2 25,-0.4 -22,-0.1 -0.098 17.3-152.8 -58.1 148.5 44.2 34.2 40.9 68 68 A V S S+ 0 0 17 1,-0.4 -1,-0.1 -59,-0.1 3,-0.0 0.911 96.3 28.1 -82.4 -50.0 46.1 35.7 43.7 69 69 A D S > S- 0 0 77 1,-0.1 3,-2.4 23,-0.1 -1,-0.4 -0.948 72.1-152.3-114.7 113.5 44.4 39.1 42.9 70 70 A P G > S+ 0 0 26 0, 0.0 3,-1.1 0, 0.0 25,-0.3 0.725 95.7 66.5 -55.2 -27.3 41.0 38.9 41.2 71 71 A A G > S+ 0 0 88 1,-0.3 3,-0.6 2,-0.1 4,-0.3 0.648 87.8 70.8 -72.0 -14.0 41.8 42.3 39.6 72 72 A A G <> + 0 0 10 -3,-2.4 4,-2.0 1,-0.2 -1,-0.3 0.333 63.2 101.6 -84.9 7.5 44.5 40.6 37.5 73 73 A A H <> S+ 0 0 3 -3,-1.1 4,-2.4 1,-0.2 -1,-0.2 0.838 79.5 54.6 -59.9 -35.8 42.2 38.5 35.2 74 74 A G H <> S+ 0 0 33 -3,-0.6 4,-2.5 2,-0.2 -1,-0.2 0.889 107.2 51.4 -63.8 -42.5 42.6 41.0 32.3 75 75 A T H > S+ 0 0 72 -4,-0.3 4,-1.8 2,-0.2 -2,-0.2 0.965 113.8 42.4 -57.2 -55.2 46.4 40.6 32.6 76 76 A V H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.868 112.3 55.8 -61.6 -38.6 46.1 36.7 32.5 77 77 A I H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.2 -1,-0.2 0.900 106.3 49.1 -63.7 -40.7 43.5 37.0 29.7 78 78 A E H X S+ 0 0 100 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.900 111.3 51.0 -66.4 -38.3 45.8 39.0 27.4 79 79 A K H < S+ 0 0 54 -4,-1.8 4,-0.3 -5,-0.2 -2,-0.2 0.943 114.9 42.0 -61.7 -47.9 48.6 36.5 28.0 80 80 A A H ><>S+ 0 0 0 -4,-2.6 5,-1.9 1,-0.2 3,-1.7 0.869 108.0 61.5 -66.1 -39.3 46.3 33.6 27.1 81 81 A R H ><5S+ 0 0 81 -4,-2.6 3,-1.5 1,-0.3 -1,-0.2 0.877 93.1 65.3 -53.0 -45.8 44.8 35.5 24.1 82 82 A G T 3<5S+ 0 0 67 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.669 113.4 31.2 -55.3 -20.0 48.2 35.7 22.5 83 83 A Q T < 5S- 0 0 112 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.363 106.4-121.3-122.5 5.5 48.2 31.9 22.1 84 84 A N T < 5 + 0 0 103 -3,-1.5 -3,-0.2 -4,-0.5 -2,-0.1 0.840 59.5 157.2 52.4 44.3 44.5 31.5 21.6 85 85 A V < - 0 0 10 -5,-1.9 -1,-0.2 -6,-0.1 -23,-0.2 -0.799 42.9-119.6 -98.4 130.9 44.6 29.2 24.7 86 86 A P - 0 0 11 0, 0.0 -23,-2.1 0, 0.0 2,-0.4 -0.378 26.3-157.3 -72.3 149.4 41.4 28.7 26.7 87 87 A V E -cd 63 105A 0 17,-2.6 19,-2.2 -25,-0.2 2,-0.6 -0.988 10.9-164.0-137.5 129.3 41.4 29.7 30.4 88 88 A V E -cd 64 106A 0 -25,-2.5 -23,-1.6 -2,-0.4 19,-0.2 -0.955 14.0-159.0-111.9 105.8 39.1 28.4 33.2 89 89 A F E -cd 65 107A 0 17,-2.6 19,-1.9 -2,-0.6 2,-0.3 -0.574 15.2-170.7 -80.1 148.9 39.3 30.8 36.3 90 90 A F E - d 0 108A 2 -25,-2.0 2,-1.7 17,-0.2 -23,-0.2 -0.996 49.5 -4.4-153.4 147.5 38.2 29.2 39.6 91 91 A N S S+ 0 0 14 17,-1.5 2,-0.6 -2,-0.3 63,-0.2 -0.189 115.9 66.5 66.6 -35.0 37.5 30.1 43.2 92 92 A K S S- 0 0 1 -2,-1.7 -25,-0.4 -27,-0.2 -2,-0.2 -0.954 87.1-139.8-113.0 113.8 38.5 33.9 42.9 93 93 A E - 0 0 39 -2,-0.6 3,-0.1 -4,-0.1 14,-0.1 -0.600 8.0-144.4 -87.2 123.7 35.9 35.4 40.5 94 94 A P - 0 0 4 0, 0.0 -23,-0.1 0, 0.0 -1,-0.0 -0.286 36.0 -83.7 -74.0 162.2 36.9 37.9 37.8 95 95 A S > - 0 0 72 -25,-0.3 4,-2.1 1,-0.1 3,-0.2 -0.321 35.3-119.8 -65.3 150.1 34.7 40.8 36.7 96 96 A R H > S+ 0 0 90 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.873 116.1 55.3 -61.2 -38.7 32.0 40.1 34.1 97 97 A K H > S+ 0 0 173 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.871 106.9 52.2 -60.4 -37.5 33.5 42.6 31.7 98 98 A A H >4 S+ 0 0 13 -3,-0.2 3,-1.2 2,-0.2 4,-0.4 0.965 110.1 47.2 -58.1 -57.3 36.7 40.7 32.1 99 99 A L H >< S+ 0 0 0 -4,-2.1 3,-0.8 1,-0.3 6,-0.4 0.824 110.4 53.2 -54.7 -38.2 35.0 37.4 31.2 100 100 A D H 3< S+ 0 0 85 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.706 91.3 74.8 -75.5 -20.4 33.3 38.9 28.2 101 101 A S T << S+ 0 0 51 -3,-1.2 2,-0.4 -4,-0.9 -1,-0.2 0.616 99.9 43.6 -69.7 -14.7 36.5 40.2 26.7 102 102 A Y X - 0 0 9 -3,-0.8 3,-1.4 -4,-0.4 -1,-0.1 -0.980 66.8-147.5-138.6 127.8 37.5 36.7 25.6 103 103 A D T 3 S+ 0 0 138 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.752 101.2 49.3 -60.0 -29.3 35.5 34.0 23.9 104 104 A K T 3 S+ 0 0 70 -19,-0.1 -17,-2.6 2,-0.0 2,-0.5 0.036 83.6 107.4-102.2 26.3 37.5 31.2 25.6 105 105 A A E < +d 87 0A 0 -3,-1.4 2,-0.3 -6,-0.4 -17,-0.2 -0.915 42.8 172.7-105.5 129.8 37.4 32.5 29.3 106 106 A Y E -d 88 0A 36 -19,-2.2 -17,-2.6 -2,-0.5 2,-0.4 -0.857 19.7-143.8-129.9 161.7 35.2 30.6 31.7 107 107 A Y E -de 89 290A 6 182,-2.2 184,-2.2 -2,-0.3 2,-0.5 -0.997 9.0-171.5-134.0 135.1 34.6 30.7 35.5 108 108 A V E +de 90 291A 0 -19,-1.9 -17,-1.5 -2,-0.4 2,-0.2 -0.986 45.4 84.1-127.0 118.4 33.9 27.9 38.0 109 109 A G E - e 0 292A 0 182,-2.3 184,-2.3 -2,-0.5 2,-0.3 -0.595 67.0 -66.4-168.7-128.4 33.0 28.8 41.5 110 110 A T - 0 0 6 182,-0.3 2,-1.3 -2,-0.2 3,-0.1 -0.913 39.4 -94.3-148.0 166.8 29.9 29.7 43.5 111 111 A D >> - 0 0 56 182,-0.4 3,-1.3 -2,-0.3 4,-0.7 -0.797 43.9-161.5 -87.2 91.7 27.1 32.3 44.2 112 112 A S H >> S+ 0 0 12 -2,-1.3 3,-0.9 1,-0.3 4,-0.8 0.786 81.4 57.9 -47.3 -47.4 29.1 34.0 46.9 113 113 A K H >> S+ 0 0 86 1,-0.3 4,-2.3 2,-0.2 3,-0.8 0.820 94.2 68.2 -58.1 -35.2 26.1 35.7 48.5 114 114 A E H <> S+ 0 0 60 -3,-1.3 4,-2.8 1,-0.3 -1,-0.3 0.877 97.6 51.7 -54.0 -40.7 24.4 32.4 49.0 115 115 A S H < S+ 0 0 28 -4,-3.4 3,-0.7 1,-0.2 6,-0.2 0.908 107.3 52.1 -63.8 -42.2 20.5 32.5 68.6 128 128 A A H 3< S+ 0 0 76 -4,-2.1 3,-0.2 -5,-0.3 -1,-0.2 0.806 111.7 45.7 -61.7 -35.2 16.8 31.8 68.8 129 129 A A H 3< S+ 0 0 78 -4,-1.1 2,-0.3 1,-0.2 -1,-0.2 0.555 114.9 48.8 -87.8 -9.7 17.5 28.5 70.6 130 130 A N X< + 0 0 59 -4,-0.8 3,-1.5 -3,-0.7 4,-0.3 -0.759 51.9 163.5-131.1 78.2 20.1 30.0 73.0 131 131 A Q G > S+ 0 0 172 -2,-0.3 3,-1.4 1,-0.3 6,-0.2 0.732 74.3 76.9 -69.5 -13.8 18.8 33.2 74.7 132 132 A G G 3 S+ 0 0 65 1,-0.3 -1,-0.3 -3,-0.1 5,-0.1 0.743 81.0 69.3 -63.2 -23.8 21.6 32.6 77.2 133 133 A W G < S+ 0 0 45 -3,-1.5 2,-2.0 -6,-0.2 -1,-0.3 0.762 75.5 84.6 -66.8 -29.9 23.9 34.0 74.4 134 134 A D X + 0 0 19 -3,-1.4 3,-1.5 -4,-0.3 -1,-0.2 -0.566 61.6 178.5 -76.7 80.8 22.4 37.5 74.9 135 135 A L T 3 S+ 0 0 96 -2,-2.0 -1,-0.2 1,-0.3 69,-0.1 0.814 78.8 36.9 -56.3 -39.8 24.8 38.4 77.7 136 136 A N T 3 S- 0 0 64 4,-0.2 -1,-0.3 67,-0.2 -2,-0.1 0.253 103.1-131.7 -98.2 11.2 23.5 42.0 78.2 137 137 A K < + 0 0 183 -3,-1.5 -2,-0.1 -6,-0.2 -3,-0.1 0.785 65.6 131.2 44.6 40.9 19.9 41.0 77.5 138 138 A D S S- 0 0 52 2,-0.3 -1,-0.1 0, 0.0 3,-0.1 0.279 75.9-117.9 -99.6 6.1 19.4 43.8 75.0 139 139 A G S S+ 0 0 43 1,-0.2 33,-0.4 -8,-0.1 2,-0.4 0.563 81.4 114.3 68.0 6.4 17.9 41.5 72.4 140 140 A Q S S- 0 0 47 31,-0.1 2,-0.7 33,-0.0 -2,-0.3 -0.877 71.8-122.2-112.1 142.5 20.8 42.5 70.1 141 141 A I E -g 173 0B 1 31,-2.6 33,-3.2 -2,-0.4 2,-0.7 -0.790 20.3-160.2 -86.7 115.1 23.6 40.4 68.8 142 142 A Q E +g 174 0B 0 -2,-0.7 63,-2.3 31,-0.2 64,-1.5 -0.869 31.6 172.1 -89.6 104.2 26.9 42.1 70.0 143 143 A F E -gh 175 206B 3 31,-1.9 33,-3.4 -2,-0.7 34,-0.9 -0.773 35.8-153.7-122.7 167.0 29.4 40.5 67.4 144 144 A V E -gh 177 207B 0 62,-1.3 64,-2.6 -2,-0.3 2,-0.4 -0.936 21.1-152.5-130.2 144.8 32.9 40.6 66.1 145 145 A L E -gh 178 208B 0 32,-1.7 34,-1.9 -2,-0.3 2,-0.7 -0.993 10.1-152.2-136.5 130.9 33.7 39.6 62.5 146 146 A L E -gh 179 209B 0 62,-2.2 64,-2.6 -2,-0.4 34,-0.2 -0.919 25.4-156.4-100.3 107.3 36.9 38.1 61.1 147 147 A K E -g 180 0B 32 32,-2.6 34,-2.7 -2,-0.7 35,-0.5 -0.555 6.4-136.4 -92.4 149.5 36.9 39.1 57.3 148 148 A G - 0 0 0 1,-0.2 34,-0.3 34,-0.2 -1,-0.1 -0.027 64.0 -30.5 -85.9-160.0 38.8 37.3 54.5 149 149 A E S > S- 0 0 23 32,-0.1 3,-2.0 1,-0.1 6,-0.3 -0.321 70.4-113.2 -59.8 128.8 40.8 39.3 51.9 150 150 A P T 3 S+ 0 0 78 0, 0.0 -1,-0.1 0, 0.0 30,-0.0 -0.296 103.1 21.4 -59.3 133.9 39.4 42.7 51.1 151 151 A G T 3 S+ 0 0 53 1,-0.3 -2,-0.1 -3,-0.1 3,-0.0 0.257 88.8 129.8 91.6 -14.5 38.0 42.9 47.5 152 152 A H X> - 0 0 5 -3,-2.0 4,-2.5 1,-0.1 3,-0.8 -0.618 62.5-133.8 -74.8 118.5 37.6 39.0 47.4 153 153 A P H 3> S+ 0 0 34 0, 0.0 4,-2.3 0, 0.0 5,-0.3 0.789 105.3 48.4 -44.2 -40.6 34.0 38.3 46.1 154 154 A D H 3> S+ 0 0 8 -63,-0.2 4,-2.4 2,-0.2 5,-0.2 0.881 112.8 47.4 -67.7 -44.0 33.5 35.7 48.8 155 155 A A H <> S+ 0 0 0 -3,-0.8 4,-1.6 -6,-0.3 -1,-0.2 0.890 115.2 45.5 -64.0 -43.4 34.8 38.0 51.6 156 156 A E H X S+ 0 0 68 -4,-2.5 4,-1.9 -7,-0.2 -2,-0.2 0.927 118.4 40.8 -69.8 -47.5 32.7 40.9 50.4 157 157 A A H X S+ 0 0 17 -4,-2.3 4,-3.0 -5,-0.3 5,-0.3 0.922 114.8 50.9 -67.4 -46.1 29.4 38.9 49.9 158 158 A R H X S+ 0 0 4 -4,-2.4 4,-1.5 -5,-0.3 5,-0.2 0.893 112.3 47.5 -60.9 -37.6 29.8 36.8 53.1 159 159 A T H X S+ 0 0 19 -4,-1.6 4,-0.8 -5,-0.2 -1,-0.2 0.883 118.1 40.1 -69.7 -44.3 30.4 39.9 55.2 160 160 A T H X S+ 0 0 79 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.902 118.1 44.8 -69.5 -49.7 27.4 41.9 53.8 161 161 A Y H X S+ 0 0 69 -4,-3.0 4,-2.2 2,-0.2 -2,-0.2 0.704 103.3 60.3 -76.8 -22.4 24.9 39.1 53.6 162 162 A V H X S+ 0 0 0 -4,-1.5 4,-1.7 -5,-0.3 -1,-0.2 0.910 115.5 37.4 -69.1 -42.3 25.4 37.4 56.9 163 163 A I H X S+ 0 0 30 -4,-0.8 4,-2.7 -5,-0.2 5,-0.2 0.931 116.1 52.1 -72.5 -43.6 24.4 40.7 58.6 164 164 A K H X S+ 0 0 93 -4,-2.3 4,-3.3 1,-0.2 -2,-0.2 0.923 110.5 49.7 -55.8 -45.4 21.7 41.6 56.0 165 165 A E H X S+ 0 0 23 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.896 111.3 47.3 -62.8 -45.4 20.1 38.2 56.5 166 166 A L H <>S+ 0 0 0 -4,-1.7 5,-2.9 2,-0.2 4,-0.3 0.939 116.0 45.2 -60.9 -50.8 20.0 38.5 60.3 167 167 A N H ><5S+ 0 0 74 -4,-2.7 3,-1.6 1,-0.2 -2,-0.2 0.918 111.2 52.8 -60.6 -43.3 18.6 42.0 60.0 168 168 A D H 3<5S+ 0 0 101 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.845 106.1 55.1 -61.9 -35.1 16.1 40.9 57.3 169 169 A K T 3<5S- 0 0 122 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.444 128.7 -99.2 -78.3 0.4 14.9 38.1 59.7 170 170 A G T < 5S+ 0 0 66 -3,-1.6 2,-0.7 -4,-0.3 -3,-0.2 0.542 80.5 133.7 93.5 13.4 14.3 40.7 62.4 171 171 A I < - 0 0 28 -5,-2.9 -1,-0.2 -6,-0.2 2,-0.2 -0.863 46.1-145.2-105.3 118.1 17.5 40.4 64.4 172 172 A K - 0 0 119 -2,-0.7 -31,-2.6 -33,-0.4 2,-0.3 -0.563 18.7-163.9 -76.7 138.6 19.2 43.6 65.4 173 173 A T E -g 141 0B 29 -2,-0.2 2,-0.5 -33,-0.2 -31,-0.2 -0.955 14.6-156.3-130.0 147.5 23.1 43.5 65.4 174 174 A E E -g 142 0B 78 -33,-3.2 -31,-1.9 -2,-0.3 2,-0.6 -0.961 17.4-140.2-129.4 111.0 25.8 45.7 66.9 175 175 A Q E +g 143 0B 115 -2,-0.5 -31,-0.2 -33,-0.2 3,-0.1 -0.602 26.5 170.0 -69.2 107.6 29.3 45.5 65.3 176 176 A L E S+ 0 0 23 -33,-3.4 2,-0.3 -2,-0.6 -32,-0.2 0.855 71.2 0.9 -87.3 -42.5 31.9 45.6 68.2 177 177 A Q E +g 144 0B 63 -34,-0.9 -32,-1.7 2,-0.0 -1,-0.3 -0.994 57.7 178.5-145.8 146.0 34.9 44.8 66.0 178 178 A L E +g 145 0B 63 -2,-0.3 2,-0.3 -34,-0.2 -32,-0.2 -0.918 21.0 145.7-148.6 119.9 35.5 44.1 62.3 179 179 A D E -g 146 0B 70 -34,-1.9 -32,-2.6 -2,-0.3 2,-0.3 -0.967 44.7-108.2-152.6 158.8 39.0 43.4 60.9 180 180 A T E +g 147 0B 24 -2,-0.3 -32,-0.2 -34,-0.2 -31,-0.1 -0.690 22.2 179.8 -91.9 148.1 40.5 41.2 58.1 181 181 A A > - 0 0 0 -34,-2.7 3,-2.6 -2,-0.3 7,-0.3 0.000 45.8-122.5-129.7 16.9 42.6 38.1 59.0 182 182 A M T 3 - 0 0 67 -35,-0.5 -34,-0.2 -34,-0.3 3,-0.1 0.733 61.7 -65.7 46.2 35.7 43.2 37.3 55.3 183 183 A W T 3 S+ 0 0 13 -36,-0.5 2,-0.4 1,-0.2 -1,-0.3 0.443 104.4 130.8 72.6 4.8 41.6 33.8 55.6 184 184 A D <> - 0 0 46 -3,-2.6 4,-1.7 1,-0.1 -1,-0.2 -0.732 55.3-148.6-103.9 137.3 44.5 32.7 57.9 185 185 A T H > S+ 0 0 41 -2,-0.4 4,-2.3 2,-0.2 5,-0.2 0.884 97.4 51.4 -60.8 -46.8 44.3 30.9 61.3 186 186 A A H > S+ 0 0 61 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.946 111.9 45.8 -62.9 -46.9 47.3 32.4 62.9 187 187 A Q H > S+ 0 0 85 -6,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.834 111.9 52.3 -64.1 -36.4 46.3 36.0 62.1 188 188 A A H X S+ 0 0 0 -4,-1.7 4,-2.7 -7,-0.3 5,-0.3 0.850 107.1 52.9 -67.1 -40.7 42.7 35.4 63.4 189 189 A K H X S+ 0 0 62 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.917 111.5 46.2 -59.4 -45.1 44.1 34.0 66.6 190 190 A D H X S+ 0 0 111 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.926 112.8 49.4 -66.7 -45.6 46.1 37.2 67.1 191 191 A K H X S+ 0 0 60 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.943 113.5 45.2 -59.0 -49.2 43.2 39.5 66.2 192 192 A M H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.890 110.3 55.3 -61.0 -38.8 40.8 37.7 68.6 193 193 A D H < S+ 0 0 52 -4,-2.1 4,-0.4 -5,-0.3 -1,-0.2 0.913 108.4 48.4 -60.5 -44.9 43.5 37.7 71.4 194 194 A A H >< S+ 0 0 59 -4,-2.1 3,-0.9 1,-0.2 4,-0.2 0.914 111.2 50.5 -58.3 -48.4 43.8 41.5 71.0 195 195 A W H >< S+ 0 0 18 -4,-2.2 3,-0.7 1,-0.3 -2,-0.2 0.818 109.9 49.8 -61.5 -37.0 40.0 41.8 71.2 196 196 A L T 3< S+ 0 0 12 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.486 110.4 52.2 -82.5 -5.0 39.8 39.6 74.4 197 197 A S T < S+ 0 0 84 -3,-0.9 -1,-0.2 -4,-0.4 -2,-0.2 0.374 102.5 71.1-112.7 5.8 42.5 41.8 76.0 198 198 A G S X S- 0 0 29 -3,-0.7 3,-1.4 -4,-0.2 4,-0.2 -0.427 101.2 -79.2-110.4-173.5 40.9 45.1 75.4 199 199 A P T 3 S+ 0 0 133 0, 0.0 3,-0.4 0, 0.0 -4,-0.1 0.720 123.1 54.0 -57.4 -31.7 37.8 47.1 76.8 200 200 A N T >> S+ 0 0 48 1,-0.2 3,-1.7 -5,-0.2 4,-1.0 0.384 75.2 107.6 -89.7 3.1 35.2 45.2 74.7 201 201 A A T <4 S+ 0 0 20 -3,-1.4 3,-0.5 1,-0.3 -1,-0.2 0.861 82.4 41.7 -50.5 -45.9 36.3 41.7 75.9 202 202 A N T 34 S+ 0 0 116 -3,-0.4 -1,-0.3 -4,-0.2 -2,-0.1 0.510 106.6 62.9 -86.7 -0.4 33.3 41.2 78.1 203 203 A K T <4 S+ 0 0 64 -3,-1.7 -1,-0.2 -4,-0.1 2,-0.2 0.667 74.9 110.1 -91.9 -19.6 30.8 42.6 75.6 204 204 A I < + 0 0 0 -4,-1.0 -61,-0.2 -3,-0.5 3,-0.1 -0.398 31.5 164.9 -63.2 126.5 31.3 40.0 72.9 205 205 A E + 0 0 4 -63,-2.3 2,-0.3 1,-0.3 -62,-0.2 0.696 63.1 20.1-113.2 -32.2 28.4 37.6 72.3 206 206 A V E -h 143 0B 0 -64,-1.5 -62,-1.3 24,-0.1 2,-0.5 -0.999 58.7-148.2-144.5 142.4 29.1 35.9 69.0 207 207 A V E -hi 144 232B 0 24,-2.4 26,-2.2 -2,-0.3 2,-0.5 -0.960 16.1-169.6-111.1 122.3 32.1 35.5 66.7 208 208 A I E -hi 145 233B 0 -64,-2.6 -62,-2.2 -2,-0.5 2,-0.4 -0.960 5.2-173.9-111.5 128.3 31.4 35.4 62.9 209 209 A A E -h 146 0B 0 24,-2.2 -62,-0.2 -2,-0.5 6,-0.0 -0.945 30.4-136.0-123.1 146.5 34.2 34.4 60.5 210 210 A N S S+ 0 0 0 -64,-2.6 2,-0.3 -2,-0.4 24,-0.1 0.601 90.3 12.8 -72.3 -11.8 34.3 34.4 56.7 211 211 A N S > S- 0 0 6 -65,-0.2 4,-1.9 22,-0.2 25,-0.2 -0.964 78.0-107.0-157.6 165.9 35.9 30.9 56.7 212 212 A D H > S+ 0 0 0 23,-2.1 4,-2.9 -2,-0.3 5,-0.2 0.837 112.1 60.0 -64.0 -41.8 36.7 27.9 58.9 213 213 A A H > S+ 0 0 0 22,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.919 110.3 42.1 -56.9 -44.5 40.5 28.6 59.2 214 214 A M H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.893 112.3 55.9 -68.0 -38.3 39.8 32.0 60.7 215 215 A A H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.899 105.2 51.8 -58.4 -43.6 37.1 30.4 62.9 216 216 A M H X S+ 0 0 26 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.873 106.8 52.8 -63.4 -37.7 39.6 27.9 64.2 217 217 A G H X S+ 0 0 0 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.899 109.0 50.9 -65.0 -38.3 42.1 30.7 65.2 218 218 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.921 106.4 54.3 -64.6 -40.3 39.3 32.4 67.1 219 219 A V H X S+ 0 0 9 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.935 107.4 50.5 -59.1 -44.8 38.5 29.1 69.0 220 220 A E H X S+ 0 0 95 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.911 111.4 47.1 -60.9 -40.3 42.1 28.8 70.1 221 221 A A H X S+ 0 0 0 -4,-1.9 4,-1.1 2,-0.2 -1,-0.2 0.891 110.8 52.3 -67.4 -40.6 42.2 32.4 71.5 222 222 A L H ><>S+ 0 0 4 -4,-2.6 5,-2.1 1,-0.2 3,-0.7 0.932 109.6 50.1 -60.8 -46.3 38.8 31.9 73.2 223 223 A K H ><5S+ 0 0 106 -4,-2.5 3,-1.4 1,-0.2 -1,-0.2 0.839 104.9 57.1 -57.6 -43.6 40.2 28.7 74.9 224 224 A A H 3<5S+ 0 0 75 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.763 112.0 42.3 -62.1 -28.1 43.3 30.6 76.1 225 225 A H T <<5S- 0 0 66 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.232 114.4-112.0-102.3 9.2 41.2 33.1 77.9 226 226 A N T < 5S+ 0 0 152 -3,-1.4 -3,-0.2 1,-0.1 -2,-0.1 0.969 82.8 123.5 56.3 55.0 38.7 30.6 79.4 227 227 A K > < + 0 0 62 -5,-2.1 3,-1.7 -6,-0.1 -4,-0.2 -0.181 17.3 132.0-135.0 34.7 35.9 32.1 77.1 228 228 A S T 3 + 0 0 95 1,-0.3 -5,-0.1 -6,-0.2 -6,-0.1 0.632 58.9 75.6 -66.9 -13.3 35.0 28.8 75.4 229 229 A S T 3 S+ 0 0 104 -7,-0.1 -1,-0.3 -3,-0.1 -2,-0.0 0.505 74.1 96.4 -77.2 -6.0 31.2 29.5 76.1 230 230 A I S < S- 0 0 10 -3,-1.7 -24,-0.1 -11,-0.1 2,-0.1 -0.788 78.3-124.3 -87.2 126.3 31.2 32.2 73.2 231 231 A P - 0 0 14 0, 0.0 -24,-2.4 0, 0.0 2,-0.4 -0.438 21.0-159.6 -74.7 146.7 29.9 30.7 69.9 232 232 A V E -i 207 0B 1 17,-0.2 19,-2.6 -26,-0.2 20,-0.9 -0.977 2.8-164.8-124.8 134.6 31.9 30.8 66.6 233 233 A F E +ij 208 252B 0 -26,-2.2 -24,-2.2 -2,-0.4 20,-0.2 -0.951 15.6 168.2-118.3 142.9 30.5 30.5 63.0 234 234 A G - 0 0 0 18,-2.0 2,-0.3 -2,-0.4 -22,-0.2 -0.589 25.2-122.1-132.0-165.4 32.6 29.7 59.9 235 235 A V S S+ 0 0 0 18,-0.2 -23,-2.1 -2,-0.2 -22,-0.3 -0.977 76.2 44.8-150.5 135.2 32.4 28.7 56.2 236 236 A D B S-k 255 0C 7 18,-3.2 20,-1.4 -2,-0.3 22,-0.2 -0.211 78.9-126.4 130.9 -37.7 33.8 25.8 54.1 237 237 A A - 0 0 8 18,-0.2 -1,-0.1 1,-0.2 18,-0.1 0.938 35.9-170.6 56.0 53.6 33.1 22.7 56.4 238 238 A L >> - 0 0 4 1,-0.1 3,-2.3 -3,-0.1 4,-1.9 -0.455 35.6-112.3 -67.5 138.2 36.7 21.6 56.3 239 239 A P H 3> S+ 0 0 94 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.893 121.4 56.4 -43.0 -41.8 37.1 18.1 57.8 240 240 A E H 3> S+ 0 0 101 1,-0.2 4,-0.7 2,-0.2 -3,-0.0 0.848 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-1,-0.0 -4,-0.1 0, 0.0 -0.713 360.0 360.0-166.2 360.0 30.6 8.4 56.2