==== 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, TOXIN 03-OCT-07 2RG9 . COMPND 2 MOLECULE: BETA-GALACTOSIDE-SPECIFIC LECTIN 1 CHAIN A ISOFOR . SOURCE 2 ORGANISM_SCIENTIFIC: VISCUM ALBUM; . AUTHOR N.U.KARPECHENKO,V.I.TIMOFEEV,A.G.GABDOULKHAKOV,A.M.MIKHAILOV . 512 2 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19806.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 337 65.8 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 . 1 0.2 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 . 60 11.7 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 0 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 . 12 6 5 6 2 1 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 0 1 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 97 0, 0.0 53,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 164.9 -33.4 73.6 73.5 2 2 A E E -a 54 0A 82 51,-0.6 53,-3.0 1,-0.0 2,-0.5 -0.441 360.0-156.1 -63.8 139.2 -34.1 75.4 76.7 3 3 A R E -a 55 0A 107 51,-0.2 2,-0.4 -2,-0.1 53,-0.2 -0.950 8.6-169.6-128.6 112.8 -33.3 79.1 76.5 4 4 A L E -a 56 0A 17 51,-3.3 53,-3.3 -2,-0.5 2,-0.4 -0.843 11.2-152.0-102.5 136.7 -32.5 81.2 79.5 5 5 A S E +a 57 0A 79 -2,-0.4 2,-0.4 51,-0.2 53,-0.2 -0.896 15.5 178.8-115.9 134.2 -32.3 85.0 79.3 6 6 A L E -a 58 0A 13 51,-3.0 53,-1.7 -2,-0.4 2,-0.6 -0.987 18.1-148.4-129.6 124.5 -30.3 87.5 81.2 7 7 A R E -a 59 0A 137 -2,-0.4 2,-0.7 51,-0.2 53,-0.2 -0.814 13.8-157.4 -85.9 120.4 -30.3 91.2 80.6 8 8 A T E +a 60 0A 0 51,-1.7 53,-0.7 -2,-0.6 2,-0.3 -0.880 35.5 130.8-104.0 108.6 -26.9 92.7 81.4 9 9 A V S > S- 0 0 9 -2,-0.7 3,-1.5 51,-0.2 126,-0.0 -0.873 74.4 -93.1-143.1 172.3 -27.2 96.4 82.2 10 10 A Q T 3 S+ 0 0 121 -2,-0.3 123,-0.1 1,-0.3 -2,-0.0 0.462 126.4 57.2 -70.8 1.9 -26.1 98.8 84.9 11 11 A Q T 3 S+ 0 0 143 2,-0.1 -1,-0.3 0, 0.0 2,-0.1 0.458 75.4 119.3-108.8 -5.4 -29.5 98.2 86.4 12 12 A T < - 0 0 10 -3,-1.5 2,-0.2 1,-0.1 120,-0.1 -0.409 57.6-140.3 -59.7 129.8 -29.1 94.4 86.7 13 13 A T > - 0 0 56 -2,-0.1 4,-2.0 1,-0.1 5,-0.2 -0.555 18.4-118.0 -92.0 160.3 -29.4 93.4 90.3 14 14 A G H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 5,-0.1 0.881 117.7 55.0 -59.1 -39.0 -27.3 90.7 92.1 15 15 A E H > S+ 0 0 66 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.918 105.2 50.1 -59.9 -46.8 -30.6 88.9 92.7 16 16 A E H > S+ 0 0 97 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.914 114.0 45.4 -60.9 -42.2 -31.5 88.8 89.0 17 17 A Y H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.930 113.0 50.9 -64.4 -45.2 -28.1 87.4 88.2 18 18 A F H X S+ 0 0 29 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.901 109.7 49.8 -60.1 -43.0 -28.4 85.0 91.1 19 19 A S H X S+ 0 0 55 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.880 109.1 52.9 -64.1 -40.0 -31.8 83.8 89.9 20 20 A F H X S+ 0 0 7 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.930 111.0 45.7 -60.9 -47.3 -30.4 83.3 86.4 21 21 A I H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.915 111.7 51.2 -65.6 -40.4 -27.5 81.1 87.6 22 22 A T H X S+ 0 0 34 -4,-2.4 4,-3.0 1,-0.2 -1,-0.2 0.910 109.3 52.0 -64.4 -38.3 -29.8 79.1 89.8 23 23 A L H X S+ 0 0 74 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.912 108.9 49.7 -61.2 -44.2 -32.1 78.5 86.9 24 24 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.912 111.7 49.2 -59.7 -44.4 -29.2 77.3 84.8 25 25 A R H X S+ 0 0 32 -4,-2.5 4,-1.3 2,-0.2 -2,-0.2 0.942 109.5 52.4 -58.1 -52.7 -28.2 75.0 87.6 26 26 A D H >< S+ 0 0 104 -4,-3.0 3,-1.0 1,-0.2 -2,-0.2 0.949 110.5 46.7 -47.2 -58.3 -31.8 73.7 87.9 27 27 A F H 3< S+ 0 0 67 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.901 114.4 45.1 -58.3 -45.6 -32.0 72.8 84.2 28 28 A V H 3< S+ 0 0 1 -4,-2.2 13,-0.7 -5,-0.2 2,-0.3 0.609 87.8 110.6 -77.1 -9.2 -28.6 71.1 83.9 29 29 A S E << -F 40 0B 41 -4,-1.3 11,-0.2 -3,-1.0 213,-0.0 -0.518 59.1-154.9 -66.7 123.9 -29.4 69.2 87.2 30 30 A S E - 0 0 38 9,-2.5 -1,-0.2 -2,-0.3 10,-0.1 0.684 37.1-115.0 -75.8 -18.4 -29.9 65.5 86.3 31 31 A G E S+ 0 0 54 1,-0.5 2,-0.2 8,-0.4 -1,-0.1 0.177 85.9 104.3 98.0 -14.9 -32.0 64.9 89.4 32 32 A S E - 0 0 37 7,-0.3 7,-2.0 220,-0.0 -1,-0.5 -0.610 51.7-164.1 -96.0 160.1 -29.4 62.5 90.7 33 33 A F E -F 38 0B 79 5,-0.2 220,-3.3 -2,-0.2 2,-0.4 -0.884 16.2-149.8-133.7 163.2 -26.9 63.2 93.5 34 34 A S E > S-F 37 0B 0 3,-2.1 3,-2.3 218,-0.3 218,-0.1 -0.967 89.2 -15.9-132.9 126.1 -23.7 61.8 94.9 35 35 A N T 3 S- 0 0 28 -2,-0.4 217,-0.1 1,-0.3 219,-0.0 0.853 130.4 -53.7 48.3 40.1 -23.1 62.3 98.6 36 36 A N T 3 S+ 0 0 115 215,-0.3 -1,-0.3 1,-0.2 435,-0.1 0.431 114.2 116.3 78.5 2.3 -25.9 64.9 98.5 37 37 A I E < -F 34 0B 0 -3,-2.3 -3,-2.1 1,-0.0 -1,-0.2 -0.903 69.8-110.7-107.7 128.3 -24.3 67.0 95.7 38 38 A P E -F 33 0B 16 0, 0.0 205,-1.7 0, 0.0 2,-0.4 -0.059 28.7-145.6 -52.6 148.5 -26.1 67.3 92.4 39 39 A L E -g 243 0C 0 -7,-2.0 -9,-2.5 203,-0.2 -8,-0.4 -0.929 11.1-124.7-117.5 143.7 -24.8 65.7 89.3 40 40 A L E -F 29 0B 0 203,-2.9 -11,-0.1 -2,-0.4 33,-0.1 -0.414 51.4 -80.6 -70.1 161.1 -24.9 66.8 85.7 41 41 A R - 0 0 92 -13,-0.7 204,-0.4 31,-0.5 -1,-0.2 -0.277 62.0 -83.6 -63.3 155.6 -26.5 64.3 83.3 42 42 A Q > - 0 0 51 1,-0.1 3,-1.2 -3,-0.1 2,-0.2 -0.231 32.9-116.4 -66.3 149.7 -24.2 61.5 82.1 43 43 A S T 3 S+ 0 0 90 202,-0.3 -1,-0.1 1,-0.3 30,-0.1 0.173 101.5 86.7 -71.8 23.1 -21.8 62.1 79.2 44 44 A T T 3 + 0 0 97 -2,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.201 56.3 110.8-117.6 12.0 -23.8 59.5 77.4 45 45 A I S < S- 0 0 19 -3,-1.2 2,-0.2 7,-0.1 28,-0.1 -0.718 73.4-105.8 -75.0 138.4 -26.5 61.7 76.0 46 46 A P - 0 0 71 0, 0.0 3,-0.2 0, 0.0 4,-0.2 -0.460 36.0 -89.5 -95.3 170.8 -26.3 62.1 72.2 47 47 A V S S+ 0 0 56 1,-0.5 2,-0.2 47,-0.2 52,-0.1 -0.434 103.2 7.7-137.2 7.5 -25.3 64.7 70.6 48 48 A S S S+ 0 0 14 51,-0.1 -1,-0.5 50,-0.1 52,-0.0 -0.040 82.3 124.7-109.3-154.8 -27.7 66.3 70.3 49 49 A E - 0 0 88 -3,-0.2 -2,-0.1 -2,-0.2 0, 0.0 0.327 62.5 -28.1 152.6-162.5 -30.4 65.8 71.5 50 50 A A S S- 0 0 42 -4,-0.2 -3,-0.0 3,-0.1 0, 0.0 -0.447 128.6 -16.5 146.2 41.8 -33.1 66.8 73.3 51 51 A S S S+ 0 0 31 2,-0.1 3,-0.1 -49,-0.0 20,-0.0 0.954 87.4 138.8 42.0 65.4 -31.7 69.3 75.7 52 52 A R S S+ 0 0 23 1,-0.1 20,-2.3 20,-0.0 21,-0.4 0.580 77.1 37.5 -73.0 -26.7 -28.2 68.1 75.0 53 53 A F E - B 0 71A 0 18,-0.2 -51,-0.6 19,-0.1 2,-0.4 -0.902 69.8-153.2-127.8 150.1 -27.6 71.8 75.1 54 54 A V E -aB 2 70A 0 16,-2.4 16,-3.0 -2,-0.3 2,-0.5 -0.983 18.0-141.9-121.3 138.1 -28.9 74.8 77.0 55 55 A L E -aB 3 69A 12 -53,-3.0 -51,-3.3 -2,-0.4 2,-0.5 -0.864 10.0-165.0-104.4 126.6 -28.9 78.3 75.5 56 56 A V E -aB 4 68A 1 12,-2.4 12,-2.8 -2,-0.5 2,-0.6 -0.953 7.8-160.5-110.0 123.3 -28.1 81.4 77.5 57 57 A E E -aB 5 67A 45 -53,-3.3 -51,-3.0 -2,-0.5 2,-0.5 -0.906 4.2-168.0-107.8 119.9 -29.0 84.7 75.9 58 58 A L E -aB 6 66A 3 8,-2.1 8,-2.0 -2,-0.6 2,-0.4 -0.926 4.5-176.5-106.1 129.9 -27.4 87.8 77.1 59 59 A T E -aB 7 65A 20 -53,-1.7 -51,-1.7 -2,-0.5 6,-0.2 -0.983 12.0-151.4-125.7 118.9 -28.8 91.2 76.0 60 60 A N E > -a 8 0A 4 4,-1.8 3,-1.6 -2,-0.4 -51,-0.2 -0.164 37.2 -91.3 -80.4-179.0 -27.1 94.4 77.0 61 61 A E T 3 S+ 0 0 61 -53,-0.7 -52,-0.1 1,-0.3 -1,-0.1 0.785 123.9 60.5 -61.0 -29.1 -28.7 97.9 77.5 62 62 A G T 3 S- 0 0 66 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.483 119.9-106.3 -81.9 -2.8 -28.0 98.7 73.9 63 63 A G S < S+ 0 0 48 -3,-1.6 2,-0.2 1,-0.3 -2,-0.1 0.458 70.9 146.5 92.1 1.6 -30.2 95.9 72.7 64 64 A D - 0 0 30 18,-0.0 -4,-1.8 -5,-0.0 2,-0.4 -0.495 26.5-170.8 -69.4 140.1 -27.2 93.8 71.5 65 65 A S E +B 59 0A 30 -6,-0.2 18,-0.6 -2,-0.2 2,-0.3 -0.997 16.6 171.8-138.2 136.1 -27.8 90.0 72.0 66 66 A I E -BC 58 82A 2 -8,-2.0 -8,-2.1 -2,-0.4 2,-0.4 -0.928 19.4-144.9-129.8 162.0 -25.7 86.9 71.8 67 67 A T E -BC 57 81A 2 14,-1.9 14,-2.6 -2,-0.3 2,-0.3 -0.982 7.6-155.3-132.1 119.5 -26.6 83.4 72.7 68 68 A A E -BC 56 80A 4 -12,-2.8 -12,-2.4 -2,-0.4 2,-0.6 -0.737 11.2-140.1 -91.2 142.7 -24.1 80.9 74.2 69 69 A A E -BC 55 79A 0 10,-3.4 9,-3.3 -2,-0.3 10,-1.1 -0.915 19.0-164.7-102.2 123.7 -24.6 77.2 73.8 70 70 A I E -BC 54 77A 1 -16,-3.0 -16,-2.4 -2,-0.6 2,-0.3 -0.936 19.5-129.4-115.3 122.3 -23.8 75.2 76.9 71 71 A D E >> -B 53 0A 3 5,-2.4 4,-2.0 -2,-0.5 3,-1.1 -0.535 15.0-148.3 -65.3 122.3 -23.2 71.4 76.9 72 72 A V T 34 S+ 0 0 2 -20,-2.3 -31,-0.5 -2,-0.3 -1,-0.2 0.685 91.4 63.2 -70.0 -17.0 -25.4 70.1 79.8 73 73 A T T 34 S+ 0 0 8 -21,-0.4 172,-0.5 -33,-0.1 -1,-0.2 0.644 126.8 5.4 -84.1 -14.4 -23.0 67.2 80.5 74 74 A N T <4 S- 0 0 26 -3,-1.1 -2,-0.2 2,-0.1 -1,-0.1 0.367 91.7-116.7-148.1 3.1 -20.1 69.5 81.5 75 75 A L < + 0 0 0 -4,-2.0 -3,-0.1 1,-0.2 2,-0.1 0.607 62.9 153.2 60.5 14.1 -21.3 73.1 81.5 76 76 A Y - 0 0 115 -5,-0.4 -5,-2.4 -6,-0.1 2,-0.6 -0.444 50.7-123.9 -66.3 141.5 -18.9 73.9 78.7 77 77 A V E +C 70 0A 10 -7,-0.2 -7,-0.2 1,-0.2 36,-0.2 -0.828 34.5 174.6 -81.4 122.1 -19.6 76.7 76.3 78 78 A V E - 0 0 6 -9,-3.3 11,-2.1 -2,-0.6 2,-0.3 0.706 57.2 -17.2-104.6 -26.3 -19.5 75.0 72.9 79 79 A A E -CD 69 88A 0 -10,-1.1 -10,-3.4 9,-0.2 -1,-0.4 -0.973 53.5-143.0-164.2 167.8 -20.6 77.8 70.6 80 80 A Y E -CD 68 87A 5 7,-1.9 7,-2.4 -2,-0.3 2,-0.5 -0.992 9.6-142.4-141.0 155.4 -22.3 81.2 70.4 81 81 A Q E +CD 67 86A 37 -14,-2.6 -14,-1.9 -2,-0.3 2,-0.4 -0.957 16.9 176.8-116.6 128.4 -24.6 82.9 68.0 82 82 A A E > -CD 66 85A 2 3,-2.2 3,-2.3 -2,-0.5 2,-0.4 -0.983 65.7 -42.6-129.8 121.9 -24.4 86.6 67.1 83 83 A G T 3 S- 0 0 27 -18,-0.6 61,-0.1 -2,-0.4 60,-0.0 -0.479 124.3 -26.2 61.6-117.2 -26.7 88.0 64.5 84 84 A Q T 3 S+ 0 0 120 -2,-0.4 21,-2.5 20,-0.1 2,-0.3 0.103 120.5 95.6-114.7 20.2 -26.8 85.4 61.7 85 85 A Q E < -De 82 105A 37 -3,-2.3 -3,-2.2 19,-0.2 2,-0.4 -0.851 53.0-163.1-111.5 148.4 -23.3 84.0 62.5 86 86 A S E -De 81 106A 0 19,-3.0 21,-1.9 -2,-0.3 2,-0.4 -0.982 1.6-163.5-127.7 140.5 -22.4 81.0 64.6 87 87 A Y E -De 80 107A 25 -7,-2.4 -7,-1.9 -2,-0.4 2,-0.5 -0.993 3.9-160.9-129.0 131.1 -19.0 80.2 66.0 88 88 A F E -De 79 108A 2 19,-2.8 21,-3.0 -2,-0.4 -9,-0.2 -0.944 18.0-127.5-117.2 126.5 -18.0 76.8 67.3 89 89 A L > - 0 0 7 -11,-2.1 3,-1.3 -2,-0.5 23,-0.3 -0.380 39.1 -91.3 -68.8 147.8 -15.1 76.2 69.7 90 90 A K T 3 S+ 0 0 89 21,-2.3 23,-0.3 19,-0.3 -1,-0.1 -0.268 113.4 25.5 -55.8 143.2 -12.5 73.7 68.7 91 91 A D T 3 S+ 0 0 120 1,-0.2 -1,-0.3 21,-0.1 3,-0.1 0.686 82.2 160.0 70.6 18.6 -13.3 70.2 70.1 92 92 A A < - 0 0 28 -3,-1.3 -1,-0.2 1,-0.1 3,-0.1 -0.354 58.4 -74.8 -61.7 156.0 -17.1 70.9 70.3 93 93 A P > - 0 0 25 0, 0.0 3,-1.6 0, 0.0 4,-0.2 -0.331 60.2 -95.9 -60.0 132.4 -19.1 67.7 70.4 94 94 A R T 3 S+ 0 0 88 1,-0.3 -47,-0.2 2,-0.1 0, 0.0 -0.184 112.2 23.3 -49.4 129.4 -19.2 65.9 67.1 95 95 A G T 3 S+ 0 0 34 -3,-0.1 4,-0.5 5,-0.0 -1,-0.3 0.574 85.6 117.9 87.5 11.1 -22.4 66.8 65.2 96 96 A A X> + 0 0 1 -3,-1.6 4,-3.4 1,-0.2 3,-1.3 0.901 68.3 60.6 -73.0 -42.3 -22.9 70.1 67.2 97 97 A E T 34 S+ 0 0 60 1,-0.3 -1,-0.2 -4,-0.2 -3,-0.1 0.788 106.9 47.8 -53.2 -32.1 -22.6 72.2 64.0 98 98 A T T 34 S+ 0 0 98 1,-0.1 -1,-0.3 4,-0.1 -2,-0.2 0.629 119.8 36.1 -86.7 -16.8 -25.7 70.4 62.7 99 99 A Q T <4 S+ 0 0 82 -3,-1.3 2,-0.4 -4,-0.5 3,-0.4 0.760 102.9 77.0-104.6 -34.5 -27.8 70.7 65.8 100 100 A D S < S- 0 0 0 -4,-3.4 -1,-0.1 1,-0.2 -20,-0.1 -0.686 106.8 -11.3 -92.0 128.1 -26.9 74.2 67.1 101 101 A F S > S- 0 0 26 -2,-0.4 3,-0.6 1,-0.2 -1,-0.2 0.962 76.8-151.4 57.2 63.4 -28.1 77.4 65.6 102 102 A T T 3 S+ 0 0 94 -3,-0.4 -1,-0.2 1,-0.2 3,-0.1 -0.471 73.8 29.8 -68.6 130.6 -29.7 76.1 62.4 103 103 A G T 3 S+ 0 0 80 1,-0.4 2,-0.3 -2,-0.2 -1,-0.2 0.803 93.2 109.9 91.8 32.7 -29.7 78.6 59.6 104 104 A T S < S- 0 0 28 -3,-0.6 2,-0.6 -23,-0.0 -1,-0.4 -0.939 78.8 -97.2-131.0 157.5 -26.7 80.7 60.4 105 105 A T E -e 85 0A 80 -21,-2.5 -19,-3.0 -2,-0.3 2,-0.3 -0.668 48.9-145.5 -71.3 117.4 -23.3 81.0 58.8 106 106 A R E +e 86 0A 137 -2,-0.6 2,-0.3 -21,-0.2 -19,-0.2 -0.701 21.3 178.8 -95.3 138.6 -21.2 78.6 60.8 107 107 A S E -e 87 0A 40 -21,-1.9 -19,-2.8 -2,-0.3 2,-0.4 -0.954 21.4-128.9-136.2 155.2 -17.5 79.2 61.7 108 108 A S E -e 88 0A 95 -2,-0.3 -19,-0.2 -21,-0.2 -21,-0.0 -0.876 15.4-142.5-107.4 136.6 -14.8 77.4 63.7 109 109 A L - 0 0 10 -21,-3.0 -19,-0.3 -2,-0.4 40,-0.0 -0.712 17.5-128.5 -93.1 148.6 -12.6 78.9 66.4 110 110 A P S S+ 0 0 57 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.473 88.1 58.0 -71.5 -5.1 -8.9 78.0 66.8 111 111 A F - 0 0 0 7,-0.0 -21,-2.3 9,-0.0 -2,-0.2 -0.917 67.7-142.9-128.4 153.9 -9.5 77.3 70.5 112 112 A N - 0 0 23 -2,-0.3 -21,-0.1 -23,-0.3 -34,-0.1 -0.481 39.8-101.1 -95.2-179.3 -11.6 75.1 72.8 113 113 A G S S+ 0 0 21 -23,-0.3 2,-0.1 -36,-0.2 -36,-0.1 0.421 79.1 123.7 -84.7 1.0 -12.9 76.3 76.1 114 114 A S > - 0 0 49 1,-0.1 4,-3.3 4,-0.1 5,-0.3 -0.433 69.0-124.3 -65.7 135.0 -10.3 74.5 78.2 115 115 A Y H > S+ 0 0 22 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.850 105.6 48.6 -51.5 -48.6 -8.5 77.1 80.4 116 116 A P H > S+ 0 0 83 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.943 120.2 38.6 -59.5 -45.9 -4.9 76.4 79.3 117 117 A D H >> S+ 0 0 11 2,-0.2 3,-1.0 1,-0.2 4,-0.9 0.954 115.4 50.4 -68.8 -53.4 -5.9 76.6 75.6 118 118 A L H >X S+ 0 0 0 -4,-3.3 4,-2.9 1,-0.3 3,-0.9 0.873 109.0 54.1 -52.9 -40.5 -8.4 79.4 75.9 119 119 A E H 3X S+ 0 0 37 -4,-2.5 4,-2.1 -5,-0.3 -1,-0.3 0.746 94.0 68.5 -69.6 -25.6 -5.8 81.5 77.8 120 120 A R H << S+ 0 0 170 -3,-1.0 -1,-0.3 -4,-0.9 -2,-0.2 0.843 116.9 26.5 -57.0 -33.0 -3.3 81.0 75.0 121 121 A Y H << S+ 0 0 77 -3,-0.9 -2,-0.2 -4,-0.9 33,-0.2 0.795 130.6 38.6 -98.2 -37.1 -5.6 83.2 73.0 122 122 A A H < S- 0 0 2 -4,-2.9 -3,-0.2 1,-0.2 2,-0.2 0.784 102.0-123.6 -86.9 -28.9 -7.3 85.3 75.7 123 123 A G < - 0 0 12 -4,-2.1 -1,-0.2 -5,-0.2 2,-0.2 -0.469 55.7 -24.9 98.1 177.6 -4.4 85.9 78.1 124 124 A H > - 0 0 104 -2,-0.2 3,-2.3 1,-0.1 4,-0.3 -0.430 45.5-140.3 -71.6 129.3 -4.3 85.0 81.8 125 125 A R G > S+ 0 0 31 1,-0.3 3,-1.4 -2,-0.2 -1,-0.1 0.838 103.1 64.5 -44.5 -39.4 -7.6 84.7 83.8 126 126 A D G 3 S+ 0 0 80 1,-0.3 -1,-0.3 61,-0.1 -2,-0.1 0.516 105.6 42.5 -74.1 -0.4 -5.8 86.4 86.7 127 127 A Q G < S+ 0 0 139 -3,-2.3 -1,-0.3 2,-0.1 -2,-0.2 0.287 93.3 92.7-122.0 5.9 -5.4 89.6 84.7 128 128 A I S < S- 0 0 13 -3,-1.4 -1,-0.1 -4,-0.3 58,-0.1 -0.871 71.5-136.5-108.6 107.0 -8.9 89.8 83.1 129 129 A P - 0 0 58 0, 0.0 2,-0.3 0, 0.0 58,-0.2 -0.182 18.3-160.9 -59.4 150.4 -11.4 91.8 85.1 130 130 A L B +H 186 0D 1 56,-3.1 56,-2.5 31,-0.0 2,-0.3 -0.833 33.9 96.3-124.4 165.2 -14.9 90.4 85.6 131 131 A G S > S- 0 0 0 -2,-0.3 4,-1.7 54,-0.2 5,-0.2 -0.851 84.7 -54.4 141.3-178.0 -18.1 92.2 86.5 132 132 A I H > S+ 0 0 5 52,-0.4 4,-2.7 -2,-0.3 5,-0.2 0.886 130.1 52.5 -64.3 -39.0 -21.2 93.8 85.0 133 133 A D H > S+ 0 0 67 50,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.888 110.7 48.0 -61.0 -40.0 -19.2 96.1 82.7 134 134 A Q H > S+ 0 0 35 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.804 111.5 49.6 -75.4 -28.2 -17.2 93.2 81.3 135 135 A L H X S+ 0 0 2 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.929 113.1 47.0 -72.3 -46.1 -20.3 91.1 80.8 136 136 A I H X S+ 0 0 26 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.930 115.0 47.0 -58.3 -46.3 -21.9 94.1 79.0 137 137 A Q H X S+ 0 0 55 -4,-2.7 4,-2.9 1,-0.2 -1,-0.2 0.816 106.4 57.3 -67.3 -34.1 -18.7 94.6 76.9 138 138 A S H X S+ 0 0 3 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.881 105.5 51.4 -66.3 -37.1 -18.4 90.9 76.1 139 139 A V H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.952 113.7 43.5 -63.1 -50.4 -21.9 90.9 74.5 140 140 A T H X S+ 0 0 58 -4,-1.7 4,-1.5 1,-0.2 -2,-0.2 0.935 112.6 53.0 -56.7 -49.5 -21.0 93.9 72.4 141 141 A A H < S+ 0 0 34 -4,-2.9 6,-0.3 1,-0.2 -1,-0.2 0.840 117.6 36.6 -59.4 -36.7 -17.6 92.5 71.4 142 142 A L H < S+ 0 0 4 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.778 107.1 66.7 -86.6 -29.3 -19.1 89.2 70.2 143 143 A R H < S+ 0 0 71 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.1 0.898 98.3 54.2 -61.9 -42.0 -22.3 90.6 68.7 144 144 A F S >< S- 0 0 102 -4,-1.5 3,-0.7 -5,-0.1 -1,-0.1 -0.831 85.3-122.6-106.5 131.6 -20.5 92.5 65.9 145 145 A P T 3 S+ 0 0 95 0, 0.0 -2,-0.0 0, 0.0 -3,-0.0 -0.216 83.8 66.6 -63.7 153.9 -18.0 90.9 63.4 146 146 A G T 3 + 0 0 82 1,-0.4 -5,-0.0 2,-0.0 -2,-0.0 0.058 65.3 131.2 118.5 -23.8 -14.5 92.3 63.1 147 147 A G < - 0 0 44 -3,-0.7 -1,-0.4 -6,-0.3 -5,-0.0 -0.222 59.4-110.1 -62.1 150.4 -13.1 91.4 66.5 148 148 A S > - 0 0 62 1,-0.1 4,-1.7 4,-0.0 -1,-0.1 -0.254 26.7-110.7 -70.0 167.0 -9.8 89.7 66.8 149 149 A T H > S+ 0 0 55 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.908 121.4 57.7 -63.0 -41.2 -9.6 86.0 67.9 150 150 A R H > S+ 0 0 131 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.910 105.7 48.8 -55.5 -45.2 -8.0 87.4 71.2 151 151 A T H > S+ 0 0 28 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.866 111.3 50.1 -64.1 -37.4 -11.1 89.4 71.8 152 152 A Q H X S+ 0 0 27 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.926 112.3 46.6 -63.9 -48.0 -13.4 86.4 71.1 153 153 A A H X S+ 0 0 0 -4,-2.9 4,-2.7 2,-0.2 -2,-0.2 0.925 113.1 49.1 -61.2 -46.6 -11.4 84.2 73.5 154 154 A R H X S+ 0 0 85 -4,-2.7 4,-2.2 -5,-0.2 -1,-0.2 0.922 110.8 49.7 -59.8 -45.7 -11.4 86.9 76.2 155 155 A S H X S+ 0 0 3 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.888 112.9 46.9 -63.6 -38.2 -15.1 87.5 75.9 156 156 A I H X S+ 0 0 1 -4,-2.0 4,-3.2 2,-0.2 -1,-0.2 0.905 108.5 55.4 -69.4 -40.4 -15.8 83.8 76.1 157 157 A L H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.892 108.3 49.0 -57.9 -40.8 -13.5 83.5 79.1 158 158 A I H X S+ 0 0 8 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.914 112.6 47.7 -66.1 -41.6 -15.5 86.1 80.9 159 159 A L H X>S+ 0 0 4 -4,-1.9 4,-1.4 2,-0.2 5,-0.6 0.915 110.2 51.8 -63.4 -47.4 -18.8 84.3 80.0 160 160 A I H <>S+ 0 0 9 -4,-3.2 5,-3.0 1,-0.2 6,-0.3 0.917 113.7 43.9 -57.5 -43.8 -17.4 81.0 81.2 161 161 A Q H <5S+ 0 0 0 -4,-2.0 5,-0.4 -5,-0.2 -1,-0.2 0.876 117.9 42.1 -73.5 -36.7 -16.3 82.4 84.5 162 162 A M H <5S+ 0 0 0 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.588 132.6 20.3 -87.7 -8.2 -19.4 84.4 85.2 163 163 A I T X5S+ 0 0 5 -4,-1.4 4,-1.7 -5,-0.2 -3,-0.2 0.674 130.1 31.3-120.9 -68.4 -21.8 81.7 84.0 164 164 A S H > S+ 0 0 13 69,-2.6 4,-3.2 -2,-0.5 5,-0.3 0.830 97.7 58.6 -62.8 -35.9 -21.1 78.9 95.2 171 171 A P H > S+ 0 0 4 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.867 111.3 44.0 -63.2 -31.5 -18.1 81.0 96.2 172 172 A I H > S+ 0 0 3 -3,-0.4 4,-2.8 -7,-0.3 5,-0.3 0.933 114.3 48.4 -75.6 -47.2 -17.9 82.2 92.5 173 173 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 -7,-0.4 5,-0.2 0.932 114.7 46.0 -53.4 -49.6 -21.7 82.7 92.3 174 174 A W H X S+ 0 0 15 -4,-3.2 4,-1.9 2,-0.2 -1,-0.2 0.870 112.9 50.1 -65.2 -38.4 -21.7 84.7 95.6 175 175 A R H X S+ 0 0 39 -4,-1.5 4,-2.1 -5,-0.3 5,-0.2 0.944 112.1 46.0 -66.4 -47.4 -18.6 86.8 94.5 176 176 A A H X S+ 0 0 2 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.917 111.6 52.7 -60.9 -43.1 -20.1 87.7 91.1 177 177 A R H X S+ 0 0 34 -4,-2.4 4,-1.8 -5,-0.3 -1,-0.2 0.898 107.7 52.6 -58.5 -42.5 -23.4 88.6 92.7 178 178 A Q H X S+ 0 0 73 -4,-1.9 4,-1.7 2,-0.2 6,-0.2 0.932 113.2 41.4 -59.5 -49.2 -21.6 90.9 95.1 179 179 A Y H X>S+ 0 0 64 -4,-2.1 4,-1.9 1,-0.2 5,-0.6 0.879 110.6 56.6 -72.5 -35.1 -19.8 92.8 92.5 180 180 A I H <5S+ 0 0 9 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.872 108.3 50.7 -58.5 -34.9 -22.8 92.9 90.2 181 181 A N H <5S+ 0 0 97 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.896 117.6 36.1 -69.7 -41.2 -24.6 94.6 93.2 182 182 A S H <5S- 0 0 79 -4,-1.7 -2,-0.2 -5,-0.1 -1,-0.2 0.608 102.5-129.0 -86.4 -13.1 -21.9 97.2 93.7 183 183 A G T <5 + 0 0 34 -4,-1.9 -50,-0.2 1,-0.3 -3,-0.2 0.461 61.6 141.8 76.6 0.3 -21.1 97.6 90.0 184 184 A A < - 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