==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/SUGAR BINDING PROTEIN 28-FEB-03 1ONK . COMPND 2 MOLECULE: BETA-GALACTOSIDE SPECIFIC LECTIN I A CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: VISCUM ALBUM; . AUTHOR A.G.GABDOULKHAKOV,Y.SAVOSHKINA,R.KRAUSPENHAAR,S.STOEVA,N.KON . 512 2 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20615.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 332 64.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 122 23.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 1.0 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 . 40 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 79 15.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.8 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 1 1 0 0 1 0 0 0 1 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 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 PARALLEL BRIDGES PER LADDER . 11 6 5 5 2 2 1 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 . 1 1 0 3 2 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 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 Y 0 0 85 0, 0.0 53,-0.2 0, 0.0 50,-0.2 0.000 360.0 360.0 360.0 147.9 -33.2 73.6 73.7 2 2 A E E -a 54 0A 75 51,-0.7 53,-3.3 48,-0.1 2,-0.5 -0.444 360.0-155.1 -62.4 136.4 -34.0 75.5 76.9 3 3 A R E -a 55 0A 98 51,-0.2 2,-0.4 -2,-0.1 53,-0.2 -0.935 10.1-172.3-124.1 114.6 -33.4 79.3 76.7 4 4 A L E -a 56 0A 18 51,-3.0 53,-2.6 -2,-0.5 2,-0.4 -0.874 11.6-152.8-102.9 137.3 -32.6 81.4 79.7 5 5 A R E +a 57 0A 175 -2,-0.4 2,-0.4 51,-0.2 53,-0.2 -0.864 14.5 179.8-115.0 139.8 -32.4 85.2 79.4 6 6 A L E -a 58 0A 14 51,-2.9 53,-1.6 -2,-0.4 2,-0.6 -0.971 18.3-148.1-134.2 122.8 -30.5 87.8 81.4 7 7 A R E -a 59 0A 127 -2,-0.4 2,-0.7 51,-0.2 53,-0.2 -0.733 16.2-158.9 -80.9 126.0 -30.5 91.5 80.7 8 8 A V E +a 60 0A 0 51,-2.8 53,-0.7 -2,-0.6 2,-0.2 -0.848 34.6 127.8-112.0 108.1 -27.1 92.9 81.7 9 9 A T S > S- 0 0 8 -2,-0.7 3,-0.8 51,-0.2 127,-0.1 -0.758 75.0 -86.5-136.3-171.1 -27.2 96.7 82.4 10 10 A H T 3 S+ 0 0 101 -2,-0.2 123,-0.0 1,-0.2 122,-0.0 0.486 126.7 55.3 -82.2 4.3 -26.2 99.1 85.1 11 11 A Q T 3 S+ 0 0 139 2,-0.1 -1,-0.2 0, 0.0 2,-0.2 0.463 76.2 120.7-112.8 0.9 -29.6 98.4 86.6 12 12 A T < - 0 0 12 -3,-0.8 2,-0.2 1,-0.1 120,-0.1 -0.500 55.6-142.4 -62.7 127.7 -29.2 94.6 86.9 13 13 A T > - 0 0 55 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.531 18.8-118.3 -90.2 158.2 -29.5 93.6 90.5 14 14 A G H > S+ 0 0 0 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.888 117.6 55.0 -55.5 -44.3 -27.5 90.9 92.3 15 15 A E H > S+ 0 0 110 1,-0.2 4,-3.7 2,-0.2 5,-0.2 0.945 107.1 50.6 -58.1 -48.2 -30.8 89.1 93.0 16 16 A E H > S+ 0 0 85 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.938 113.9 42.8 -56.5 -47.5 -31.5 89.2 89.3 17 17 A Y H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.901 115.0 51.9 -66.0 -37.2 -28.1 87.7 88.4 18 18 A F H X S+ 0 0 28 -4,-3.3 4,-2.7 -5,-0.2 5,-0.3 0.962 107.9 50.5 -60.1 -48.5 -28.5 85.2 91.3 19 19 A R H X S+ 0 0 159 -4,-3.7 4,-2.6 1,-0.2 5,-0.2 0.934 110.9 50.3 -54.1 -48.8 -32.0 84.1 90.1 20 20 A F H X S+ 0 0 10 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.928 110.2 48.5 -57.5 -49.8 -30.5 83.5 86.6 21 21 A I H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.922 113.4 46.4 -64.3 -37.6 -27.6 81.5 87.8 22 22 A T H X S+ 0 0 37 -4,-2.7 4,-2.9 1,-0.2 -1,-0.2 0.879 108.0 56.3 -74.9 -29.1 -29.8 79.3 90.0 23 23 A L H X S+ 0 0 76 -4,-2.6 4,-2.4 -5,-0.3 -1,-0.2 0.876 108.0 51.2 -62.3 -36.6 -32.3 78.8 87.2 24 24 A L H X S+ 0 0 5 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.939 110.4 44.9 -68.4 -45.6 -29.3 77.5 85.2 25 25 A R H X S+ 0 0 33 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.908 111.3 56.6 -66.6 -35.0 -28.2 75.0 87.8 26 26 A D H < S+ 0 0 104 -4,-2.9 3,-0.3 1,-0.2 -2,-0.2 0.947 109.3 45.9 -52.4 -50.4 -31.8 74.1 88.1 27 27 A Y H < S+ 0 0 54 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.925 116.0 42.3 -65.9 -39.7 -32.0 73.3 84.5 28 28 A V H < S+ 0 0 7 -4,-2.4 13,-0.7 -5,-0.1 -1,-0.2 0.682 85.7 113.8 -86.4 -7.9 -28.7 71.3 84.2 29 29 A S E < -F 40 0B 43 -4,-1.8 11,-0.2 -3,-0.3 213,-0.0 -0.383 55.7-156.6 -57.3 130.5 -29.4 69.4 87.5 30 30 A S E - 0 0 37 9,-2.2 -1,-0.2 2,-0.3 10,-0.1 0.693 36.4-115.7 -83.4 -19.6 -29.9 65.8 86.6 31 31 A G E S+ 0 0 49 1,-0.5 2,-0.2 8,-0.3 9,-0.1 0.112 84.2 104.3 99.2 -15.2 -31.9 65.0 89.7 32 32 A S E - 0 0 30 7,-0.3 7,-1.9 220,-0.0 -1,-0.5 -0.614 52.2-161.7 -96.6 165.3 -29.3 62.6 91.0 33 33 A F E -F 38 0B 67 5,-0.3 220,-4.3 218,-0.2 2,-0.4 -0.954 17.1-149.6-137.1 150.6 -26.9 63.3 93.7 34 34 A S E > S-F 37 0B 0 3,-2.3 3,-2.6 -2,-0.3 218,-0.1 -0.995 90.3 -19.1-120.9 130.7 -23.6 62.0 95.1 35 35 A N T 3 S- 0 0 9 -2,-0.4 217,-0.1 1,-0.3 -1,-0.1 0.799 130.3 -50.8 40.9 44.9 -23.2 62.4 98.8 36 36 A E T 3 S+ 0 0 116 215,-0.4 -1,-0.3 1,-0.2 435,-0.1 0.447 114.8 112.9 81.3 3.6 -25.9 65.2 98.8 37 37 A I E < S-F 34 0B 0 -3,-2.6 -3,-2.3 169,-0.0 -1,-0.2 -0.931 70.4-114.3-112.3 129.6 -24.4 67.2 96.0 38 38 A P E -F 33 0B 16 0, 0.0 205,-1.5 0, 0.0 2,-0.3 -0.159 27.0-144.7 -57.9 151.7 -26.3 67.4 92.6 39 39 A L E -g 243 0C 0 -7,-1.9 -9,-2.2 203,-0.2 -8,-0.3 -0.845 13.9-118.3-112.9 147.2 -24.7 65.8 89.5 40 40 A L E -F 29 0B 0 203,-3.6 33,-0.2 -2,-0.3 -11,-0.1 -0.364 52.9 -79.8 -70.9 168.1 -24.9 67.1 85.9 41 41 A R - 0 0 86 -13,-0.7 204,-0.4 31,-0.6 -1,-0.1 -0.343 60.2 -85.9 -65.2 158.0 -26.6 64.6 83.5 42 42 A Q > - 0 0 50 1,-0.1 3,-1.5 202,-0.1 -1,-0.1 -0.388 31.2-122.6 -66.9 140.7 -24.4 61.7 82.3 43 43 A S T 3 S+ 0 0 91 1,-0.3 -1,-0.1 202,-0.2 30,-0.1 0.607 97.5 90.4 -61.3 -17.6 -22.2 62.4 79.3 44 44 A T T 3 + 0 0 99 29,-0.0 -1,-0.3 2,-0.0 -2,-0.1 0.471 55.5 121.4 -56.9 -11.8 -24.0 59.5 77.5 45 45 A I S < S- 0 0 12 -3,-1.5 28,-0.1 1,-0.1 2,-0.0 -0.390 72.5-112.2 -61.4 134.8 -26.6 61.9 76.1 46 46 A P - 0 0 74 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 -0.351 23.6-118.1 -61.3 144.9 -26.8 61.8 72.3 47 47 A V S S+ 0 0 38 1,-0.1 5,-0.1 47,-0.1 -2,-0.1 0.805 111.4 54.8 -61.1 -26.0 -25.6 65.0 70.8 48 48 A S S S+ 0 0 56 4,-0.1 4,-0.4 3,-0.0 -1,-0.1 0.928 75.4 119.9 -61.2 -88.9 -29.0 65.3 69.3 49 49 A D S S- 0 0 59 1,-0.1 -2,-0.0 2,-0.1 -4,-0.0 0.230 71.5-111.3 39.0-168.9 -31.4 65.1 72.3 50 50 A A S S+ 0 0 65 2,-0.0 -48,-0.1 -49,-0.0 -1,-0.1 0.556 113.9 34.3-123.8 -19.9 -33.8 68.0 73.1 51 51 A Q S S+ 0 0 95 -50,-0.2 21,-0.2 1,-0.1 -2,-0.1 0.015 81.3 113.3-122.7 18.4 -32.2 69.1 76.3 52 52 A R S S+ 0 0 16 -4,-0.4 20,-1.5 -5,-0.1 21,-0.4 0.753 83.5 32.3 -65.6 -25.7 -28.6 68.3 75.3 53 53 A F E - B 0 71A 0 18,-0.2 -51,-0.7 19,-0.1 2,-0.4 -0.938 67.9-149.5-129.5 151.1 -27.8 72.1 75.4 54 54 A V E -aB 2 70A 0 16,-2.7 16,-2.9 -2,-0.3 2,-0.5 -0.993 16.3-144.3-121.9 133.4 -29.0 75.1 77.3 55 55 A L E -aB 3 69A 18 -53,-3.3 -51,-3.0 -2,-0.4 2,-0.6 -0.871 9.9-165.8 -98.5 118.7 -29.0 78.5 75.7 56 56 A V E -aB 4 68A 1 12,-2.2 12,-3.3 -2,-0.5 2,-0.6 -0.951 7.8-159.3-108.7 123.5 -28.2 81.6 77.7 57 57 A E E -aB 5 67A 19 -53,-2.6 -51,-2.9 -2,-0.6 2,-0.4 -0.915 5.1-168.1-103.6 112.2 -29.2 84.9 76.1 58 58 A L E -aB 6 66A 2 8,-2.1 8,-2.4 -2,-0.6 2,-0.4 -0.893 6.4-179.2-103.2 131.1 -27.4 88.1 77.3 59 59 A T E -aB 7 65A 14 -53,-1.6 -51,-2.8 -2,-0.4 6,-0.2 -1.000 12.2-150.6-127.2 127.1 -28.8 91.4 76.1 60 60 A N E > -a 8 0A 2 4,-2.4 3,-2.2 -2,-0.4 -51,-0.2 -0.347 36.7 -90.2 -95.5-178.9 -27.3 94.7 77.1 61 61 A Q T 3 S+ 0 0 82 -53,-0.7 -52,-0.1 1,-0.3 -1,-0.1 0.836 128.1 56.3 -53.3 -37.9 -28.8 98.2 77.6 62 62 A G T 3 S- 0 0 61 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.487 120.1-114.4 -74.2 -3.5 -28.1 99.0 73.9 63 63 A Q < + 0 0 138 -3,-2.2 2,-0.3 1,-0.3 -2,-0.2 0.602 62.6 156.0 69.0 24.9 -30.2 95.9 73.2 64 64 A D - 0 0 31 18,-0.0 -4,-2.4 80,-0.0 2,-0.4 -0.591 26.7-159.0 -66.8 139.8 -27.2 94.1 71.8 65 65 A S E +B 59 0A 31 -2,-0.3 18,-0.5 -6,-0.2 2,-0.3 -0.995 19.6 174.2-134.6 136.5 -28.0 90.4 72.1 66 66 A V E -B 58 0A 1 -8,-2.4 -8,-2.1 -2,-0.4 2,-0.5 -0.945 16.1-150.9-134.1 141.2 -25.7 87.4 72.1 67 67 A T E -BC 57 81A 2 14,-2.6 14,-2.8 -2,-0.3 2,-0.4 -0.964 7.5-160.9-124.1 119.0 -26.7 83.7 72.8 68 68 A A E -BC 56 80A 4 -12,-3.3 -12,-2.2 -2,-0.5 2,-0.5 -0.749 12.1-140.0 -93.0 140.9 -24.2 81.2 74.3 69 69 A A E -BC 55 79A 0 10,-3.8 9,-3.2 -2,-0.4 10,-1.1 -0.906 18.2-163.4-102.8 127.2 -24.8 77.5 74.0 70 70 A I E -BC 54 77A 2 -16,-2.9 -16,-2.7 -2,-0.5 2,-0.4 -0.930 17.6-132.9-115.9 119.2 -23.9 75.4 77.1 71 71 A D E >>> -BC 53 76A 5 5,-2.0 4,-2.8 -2,-0.5 3,-1.1 -0.563 13.6-151.3 -64.1 117.4 -23.4 71.7 77.2 72 72 A V T 345S+ 0 0 4 -20,-1.5 -31,-0.6 -2,-0.4 -1,-0.2 0.651 90.3 64.6 -71.8 -17.4 -25.5 70.3 80.1 73 73 A T T 345S+ 0 0 8 -21,-0.4 172,-0.5 -33,-0.2 -1,-0.3 0.692 128.3 4.3 -79.5 -17.8 -23.1 67.4 80.7 74 74 A N T <45S- 0 0 23 -3,-1.1 -2,-0.2 2,-0.1 -1,-0.1 0.429 91.3-118.4-147.3 3.2 -20.3 69.7 81.6 75 75 A A T <5 + 0 0 8 -4,-2.8 -3,-0.2 1,-0.2 2,-0.2 0.677 61.9 152.9 64.3 18.9 -21.5 73.3 81.7 76 76 A Y E < -C 71 0A 126 -5,-0.6 -5,-2.0 88,-0.1 2,-0.6 -0.486 51.2-121.4 -73.2 149.9 -19.1 74.2 78.9 77 77 A V E +C 70 0A 12 -7,-0.2 -7,-0.2 -2,-0.2 36,-0.2 -0.860 35.9 171.8 -83.1 121.8 -19.7 77.0 76.5 78 78 A V E - 0 0 6 -9,-3.2 11,-2.1 -2,-0.6 2,-0.3 0.579 58.4 -14.6-108.6 -20.2 -19.6 75.3 73.1 79 79 A A E -CD 69 88A 0 -10,-1.1 -10,-3.8 9,-0.2 -1,-0.4 -0.980 53.4-144.0-170.7 164.6 -20.7 78.1 70.8 80 80 A Y E -CD 68 87A 6 7,-1.3 7,-2.3 -2,-0.3 2,-0.4 -0.989 9.1-146.7-142.0 150.4 -22.3 81.5 70.6 81 81 A Q E +CD 67 86A 40 -14,-2.8 -14,-2.6 -2,-0.3 2,-0.4 -0.963 15.0 176.0-115.9 137.7 -24.7 83.2 68.2 82 82 A A E > - D 0 85A 3 3,-2.1 3,-2.1 -2,-0.4 -16,-0.1 -0.943 65.4 -49.9-137.3 115.3 -24.7 86.9 67.3 83 83 A G T 3 S- 0 0 26 -18,-0.5 61,-0.1 -2,-0.4 60,-0.0 -0.379 124.2 -15.5 55.1-126.7 -27.1 88.1 64.6 84 84 A D T 3 S+ 0 0 106 20,-0.1 21,-3.1 -3,-0.1 2,-0.4 0.315 120.8 83.7 -95.0 7.7 -26.6 85.8 61.6 85 85 A Q E < -De 82 105A 37 -3,-2.1 -3,-2.1 19,-0.2 2,-0.4 -0.844 53.0-166.9-112.8 151.5 -23.4 84.3 62.6 86 86 A S E -De 81 106A 0 19,-3.4 21,-2.9 -2,-0.4 2,-0.5 -0.987 6.7-155.7-132.5 147.3 -22.5 81.4 64.9 87 87 A Y E -De 80 107A 31 -7,-2.3 -7,-1.3 -2,-0.4 2,-0.6 -0.965 3.1-156.9-127.9 120.9 -19.1 80.4 66.3 88 88 A F E -De 79 108A 3 19,-3.9 21,-3.7 -2,-0.5 -9,-0.2 -0.884 16.7-132.1-103.8 127.0 -18.1 77.0 67.4 89 89 A L > - 0 0 6 -11,-2.1 3,-1.4 -2,-0.6 23,-0.2 -0.389 40.1 -87.7 -67.4 144.4 -15.3 76.5 69.8 90 90 A R T 3 S+ 0 0 98 21,-2.2 23,-0.3 1,-0.3 -1,-0.1 -0.350 114.7 19.8 -55.2 134.9 -12.7 73.9 69.0 91 91 A D T 3 S+ 0 0 120 1,-0.2 -1,-0.3 21,-0.1 3,-0.1 0.692 81.7 161.4 74.7 24.8 -13.8 70.5 70.3 92 92 A A < - 0 0 26 -3,-1.4 -1,-0.2 1,-0.2 3,-0.1 -0.293 60.0 -67.9 -60.8 162.3 -17.5 71.3 70.6 93 93 A P > - 0 0 21 0, 0.0 3,-2.2 0, 0.0 4,-0.3 -0.206 63.8 -97.1 -51.3 137.7 -19.6 68.1 70.8 94 94 A R T 3 S+ 0 0 231 1,-0.3 -47,-0.1 -3,-0.1 0, 0.0 -0.403 112.5 20.9 -59.3 130.7 -19.6 66.2 67.5 95 95 A G T 3 S+ 0 0 34 -2,-0.1 -1,-0.3 -3,-0.1 3,-0.2 0.474 87.2 120.9 87.8 5.1 -22.7 67.2 65.5 96 96 A A S X> S+ 0 0 0 -3,-2.2 4,-4.3 1,-0.2 3,-1.6 0.906 71.0 53.4 -63.4 -42.1 -23.2 70.3 67.5 97 97 A E T 34 S+ 0 0 57 -4,-0.3 -1,-0.2 1,-0.3 -3,-0.1 0.741 107.1 53.0 -66.4 -25.9 -23.0 72.6 64.4 98 98 A T T 34 S+ 0 0 116 -3,-0.2 -1,-0.3 1,-0.1 -2,-0.2 0.382 121.0 33.9 -89.4 1.9 -25.7 70.4 62.8 99 99 A H T <4 S+ 0 0 70 -3,-1.6 2,-0.4 1,-0.2 -2,-0.2 0.686 106.6 67.4-122.2 -37.3 -27.8 71.0 65.9 100 100 A L S < S- 0 0 1 -4,-4.3 -1,-0.2 1,-0.2 -31,-0.0 -0.743 107.2 -5.3 -97.5 136.7 -27.1 74.5 67.2 101 101 A F + 0 0 25 -2,-0.4 3,-0.4 1,-0.1 -1,-0.2 0.991 67.2 179.0 57.3 75.3 -27.9 77.8 65.5 102 102 A T + 0 0 110 -3,-0.2 -1,-0.1 1,-0.2 4,-0.1 0.739 69.5 56.6 -92.3 -13.8 -29.3 76.5 62.3 103 103 A G S S+ 0 0 78 2,-0.1 -1,-0.2 -18,-0.1 2,-0.1 0.616 98.2 85.1 -86.5 -6.8 -30.3 79.7 60.5 104 104 A T S S- 0 0 24 -3,-0.4 2,-0.6 1,-0.1 -19,-0.2 -0.346 86.0 -99.8 -97.7 170.9 -26.8 81.2 60.8 105 105 A T E -e 85 0A 84 -21,-3.1 -19,-3.4 -2,-0.1 2,-0.4 -0.827 45.7-138.9 -83.8 118.9 -23.4 81.2 59.1 106 106 A R E +e 86 0A 124 -2,-0.6 2,-0.3 -21,-0.2 -19,-0.2 -0.703 25.2 175.9 -92.0 123.1 -21.3 78.8 61.1 107 107 A S E -e 87 0A 38 -21,-2.9 -19,-3.9 -2,-0.4 2,-0.4 -0.958 22.3-133.5-128.7 145.3 -17.6 79.5 61.9 108 108 A S E -e 88 0A 95 -2,-0.3 -19,-0.2 -21,-0.2 -29,-0.0 -0.839 14.9-141.1-102.7 135.2 -15.1 77.6 64.0 109 109 A L - 0 0 9 -21,-3.7 -19,-0.2 -2,-0.4 40,-0.0 -0.578 16.0-128.4 -87.2 151.2 -12.9 79.2 66.6 110 110 A P S S+ 0 0 52 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.463 86.2 58.4 -85.7 3.8 -9.2 78.2 67.0 111 111 A F - 0 0 0 10,-0.0 -21,-2.2 7,-0.0 -2,-0.2 -0.909 69.3-140.5-124.7 158.6 -9.4 77.6 70.7 112 112 A N - 0 0 28 -2,-0.4 -21,-0.1 -23,-0.2 -34,-0.1 -0.509 37.9-102.4 -95.7-173.6 -11.5 75.4 73.0 113 113 A G S S+ 0 0 29 -23,-0.3 2,-0.2 -36,-0.2 -36,-0.1 0.179 78.5 126.1 -91.8 13.1 -12.8 76.7 76.3 114 114 A S > - 0 0 49 1,-0.1 4,-3.3 4,-0.0 5,-0.3 -0.581 69.2-123.0 -68.5 134.0 -10.1 74.8 78.3 115 115 A Y H > S+ 0 0 26 -2,-0.2 4,-3.0 2,-0.2 5,-0.2 0.848 106.9 46.8 -52.8 -50.3 -8.3 77.3 80.5 116 116 A P H > S+ 0 0 76 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.955 119.8 41.1 -51.6 -60.3 -4.8 76.7 79.3 117 117 A D H >> S+ 0 0 8 1,-0.2 4,-0.9 2,-0.2 3,-0.8 0.913 115.7 48.3 -50.5 -60.0 -5.9 76.9 75.7 118 118 A L H >X S+ 0 0 0 -4,-3.3 4,-3.4 1,-0.3 3,-1.4 0.887 110.7 52.6 -48.5 -48.1 -8.3 79.8 76.2 119 119 A E H 3X S+ 0 0 29 -4,-3.0 4,-2.5 -5,-0.3 -1,-0.3 0.784 96.1 67.3 -60.5 -35.1 -5.7 81.8 78.0 120 120 A R H << S+ 0 0 174 -4,-1.6 -1,-0.3 -3,-0.8 -2,-0.2 0.813 119.1 23.7 -55.9 -33.4 -3.2 81.2 75.2 121 121 A Y H << S+ 0 0 81 -3,-1.4 -2,-0.3 -4,-0.9 33,-0.2 0.795 131.5 39.9 -99.7 -38.0 -5.6 83.5 73.2 122 122 A A H < S- 0 0 2 -4,-3.4 -3,-0.2 1,-0.3 2,-0.2 0.763 102.2-125.6 -83.1 -30.3 -7.4 85.5 76.0 123 123 A G < - 0 0 14 -4,-2.5 -1,-0.3 -5,-0.2 2,-0.2 -0.444 54.9 -26.7 95.3-177.0 -4.5 86.1 78.3 124 124 A H > - 0 0 110 -2,-0.2 3,-2.0 1,-0.1 4,-0.2 -0.481 44.8-138.9 -76.5 131.8 -4.5 85.2 82.0 125 125 A R G > S+ 0 0 32 1,-0.3 3,-1.6 -2,-0.2 -1,-0.1 0.836 101.6 64.8 -46.8 -37.3 -7.7 84.9 84.0 126 126 A D G 3 S+ 0 0 72 1,-0.3 -1,-0.3 61,-0.1 64,-0.0 0.566 105.3 40.5 -78.9 -2.8 -5.9 86.7 86.9 127 127 A Q G < S+ 0 0 139 -3,-2.0 -1,-0.3 1,-0.1 -2,-0.2 0.302 94.8 93.7-121.6 12.4 -5.4 89.9 85.0 128 128 A I S < S- 0 0 16 -3,-1.6 -1,-0.1 -4,-0.2 58,-0.1 -0.902 72.1-134.3-109.7 109.0 -8.8 90.1 83.4 129 129 A P - 0 0 59 0, 0.0 2,-0.3 0, 0.0 58,-0.2 -0.204 17.8-159.8 -58.9 148.7 -11.4 92.1 85.3 130 130 A L B +H 186 0D 0 56,-3.3 56,-2.9 31,-0.0 2,-0.2 -0.804 34.4 99.9-121.4 162.1 -14.9 90.8 85.9 131 131 A G S > S- 0 0 1 -2,-0.3 4,-1.9 54,-0.2 5,-0.2 -0.791 83.8 -61.3 142.9 175.0 -18.1 92.6 86.8 132 132 A I H > S+ 0 0 5 52,-0.3 4,-3.2 -2,-0.2 5,-0.3 0.877 129.7 56.1 -57.7 -38.5 -21.3 94.0 85.1 133 133 A D H > S+ 0 0 48 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.939 109.9 45.5 -59.9 -44.4 -19.2 96.4 82.9 134 134 A Q H > S+ 0 0 22 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.794 112.3 50.9 -68.7 -33.3 -17.3 93.4 81.6 135 135 A L H X S+ 0 0 2 -4,-1.9 4,-1.7 2,-0.2 3,-0.2 0.978 114.2 44.4 -63.9 -57.5 -20.5 91.4 81.1 136 136 A I H X S+ 0 0 13 -4,-3.2 4,-1.7 1,-0.2 3,-0.4 0.935 113.9 50.0 -50.4 -50.1 -22.0 94.3 79.2 137 137 A Q H X S+ 0 0 112 -4,-3.1 4,-2.5 -5,-0.3 -1,-0.2 0.861 105.8 56.6 -62.9 -34.3 -18.8 94.9 77.2 138 138 A S H X S+ 0 0 4 -4,-1.9 4,-2.0 -3,-0.2 -1,-0.2 0.842 104.2 53.4 -70.7 -31.7 -18.5 91.2 76.3 139 139 A V H X S+ 0 0 0 -4,-1.7 4,-2.8 -3,-0.4 -2,-0.2 0.963 112.0 43.7 -61.3 -54.4 -22.0 91.2 74.7 140 140 A T H X S+ 0 0 55 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.950 112.7 53.3 -53.4 -51.4 -21.1 94.2 72.5 141 141 A A H < S+ 0 0 37 -4,-2.5 6,-0.2 1,-0.2 -1,-0.2 0.874 116.7 36.5 -56.9 -41.9 -17.8 92.8 71.6 142 142 A L H < S+ 0 0 5 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.811 108.0 68.1 -82.1 -25.4 -19.2 89.5 70.4 143 143 A R H < S+ 0 0 65 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.884 96.3 55.8 -64.1 -35.6 -22.3 91.1 68.9 144 144 A F S < S- 0 0 105 -4,-1.7 3,-0.5 -5,-0.2 -1,-0.1 -0.837 85.6-120.1-112.3 132.4 -20.6 92.8 66.1 145 145 A P S S+ 0 0 94 0, 0.0 -2,-0.0 0, 0.0 -3,-0.0 -0.221 81.7 63.1 -55.9 149.0 -18.3 91.3 63.5 146 146 A G + 0 0 80 1,-0.2 -4,-0.1 -4,-0.1 -5,-0.0 0.248 63.3 127.1 118.5 -7.1 -14.7 92.5 63.3 147 147 A G - 0 0 52 -3,-0.5 -1,-0.2 -6,-0.2 2,-0.1 -0.217 60.3 -97.1 -83.1 176.0 -12.8 91.7 66.5 148 148 A S > - 0 0 59 1,-0.1 4,-2.0 4,-0.0 5,-0.1 -0.440 32.0-114.7 -75.1 162.0 -9.5 89.9 67.1 149 149 A T H > S+ 0 0 55 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.880 121.3 60.0 -59.1 -36.9 -9.5 86.3 68.2 150 150 A R H > S+ 0 0 128 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.941 103.1 47.5 -59.4 -47.2 -8.1 87.7 71.3 151 151 A T H > S+ 0 0 32 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.932 112.5 50.9 -60.3 -39.6 -11.2 89.8 71.9 152 152 A Q H X S+ 0 0 33 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.939 112.6 45.1 -60.3 -49.4 -13.4 86.8 71.2 153 153 A A H X S+ 0 0 0 -4,-3.1 4,-2.6 2,-0.2 -1,-0.2 0.878 112.9 48.7 -63.0 -45.0 -11.5 84.6 73.6 154 154 A R H X S+ 0 0 86 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.888 110.9 53.0 -64.1 -39.7 -11.4 87.1 76.5 155 155 A S H X S+ 0 0 3 -4,-2.3 4,-1.9 -5,-0.3 -2,-0.2 0.919 112.1 43.6 -63.0 -41.9 -15.1 87.7 76.0 156 156 A I H X S+ 0 0 2 -4,-2.1 4,-3.4 1,-0.2 5,-0.3 0.907 109.3 58.0 -70.5 -35.0 -15.8 84.0 76.3 157 157 A L H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.920 106.9 48.3 -62.3 -37.9 -13.5 83.7 79.2 158 158 A I H X S+ 0 0 9 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.942 112.2 48.4 -68.2 -42.5 -15.6 86.3 81.0 159 159 A L H X>S+ 0 0 5 -4,-1.9 4,-1.8 1,-0.2 5,-0.6 0.929 109.3 53.1 -60.0 -47.8 -18.8 84.5 80.2 160 160 A I H <>S+ 0 0 11 -4,-3.4 5,-2.9 1,-0.2 6,-0.3 0.904 113.3 43.6 -60.1 -37.4 -17.4 81.2 81.4 161 161 A Q H <5S+ 0 0 0 -4,-1.8 5,-0.2 -5,-0.3 -1,-0.2 0.909 117.2 42.6 -78.0 -36.3 -16.4 82.7 84.7 162 162 A M H <5S+ 0 0 0 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.638 132.0 21.2 -85.3 -9.8 -19.5 84.7 85.4 163 163 A I T X5S+ 0 0 6 -4,-1.8 4,-2.5 -5,-0.2 5,-0.2 0.673 129.7 30.5-117.0 -75.7 -21.9 81.9 84.3 164 164 A S H > S+ 0 0 14 69,-2.8 4,-3.1 -2,-0.5 5,-0.3 0.900 97.5 57.4 -60.4 -41.1 -21.1 79.2 95.5 171 171 A P H > S+ 0 0 3 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.887 111.2 45.3 -57.6 -31.1 -18.1 81.3 96.5 172 172 A I H > S+ 0 0 0 -3,-0.5 4,-2.6 -7,-0.2 -2,-0.2 0.935 113.4 48.3 -78.2 -40.5 -18.0 82.4 92.8 173 173 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 -7,-0.4 -3,-0.2 0.952 114.2 45.8 -60.1 -47.4 -21.7 83.0 92.6 174 174 A W H X S+ 0 0 15 -4,-3.1 4,-2.6 2,-0.2 -1,-0.2 0.878 111.2 53.2 -65.8 -37.6 -21.8 85.1 95.8 175 175 A R H X S+ 0 0 42 -4,-1.6 4,-2.1 -5,-0.3 5,-0.3 0.958 110.7 46.1 -63.1 -49.8 -18.7 87.1 94.7 176 176 A Y H X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 5,-0.3 0.917 111.3 53.2 -56.5 -45.0 -20.3 88.0 91.4 177 177 A R H X S+ 0 0 35 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.917 107.1 52.4 -55.6 -48.3 -23.5 88.9 93.1 178 178 A Q H X S+ 0 0 77 -4,-2.6 4,-2.0 1,-0.2 6,-0.2 0.943 115.0 38.9 -54.6 -49.1 -21.7 91.2 95.5 179 179 A Y H X>S+ 0 0 66 -4,-2.1 4,-2.7 2,-0.2 5,-0.7 0.895 110.8 56.2 -79.5 -31.4 -19.9 93.2 92.8 180 180 A I H <5S+ 0 0 8 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.909 110.5 50.5 -59.0 -33.2 -22.8 93.3 90.4 181 181 A N H <5S+ 0 0 104 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.874 116.5 37.8 -69.3 -42.4 -24.5 94.8 93.4 182 182 A S H <5S- 0 0 77 -4,-2.0 -2,-0.2 2,-0.1 -1,-0.2 0.617 102.2-129.3 -82.9 -17.4 -21.8 97.4 94.0 183 183 A G T <5 + 0 0 36 -4,-2.7 2,-0.2 1,-0.3 -3,-0.2 0.566 64.2 136.8 80.0 -0.8 -21.1 98.0 90.2 184 184 A A < - 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