==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-MAR-05 1WZL . COMPND 2 MOLECULE: ALPHA-AMYLASE II; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOACTINOMYCES VULGARIS; . AUTHOR M.MIZUNO,K.ICHIKAWA,T.TONOZUKA,A.OHTAKI,Y.SHIMURA, . 1170 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44087.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 801 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 65 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 206 17.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 11 0.9 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 . 97 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 144 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 228 19.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 1.5 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 6 2 2 2 0 2 0 2 4 2 2 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 5 7 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 PARALLEL BRIDGES PER LADDER . 12 6 5 8 2 2 4 2 2 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 . 3 2 0 2 4 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 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 M 0 0 46 0, 0.0 2,-1.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 166.3 20.8 34.1 22.0 2 2 A L > - 0 0 67 1,-0.2 3,-1.8 28,-0.1 28,-0.3 -0.752 360.0-172.7 -92.8 93.5 24.2 34.5 23.6 3 3 A L G > S+ 0 0 26 -2,-1.2 3,-1.2 1,-0.3 -1,-0.2 0.748 78.8 65.5 -57.9 -29.4 24.3 31.5 25.9 4 4 A E G 3 S+ 0 0 27 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.715 99.6 52.8 -68.3 -19.9 27.5 32.7 27.5 5 5 A A G < S+ 0 0 2 -3,-1.8 2,-0.5 586,-0.0 -1,-0.2 0.415 87.1 99.4 -96.0 1.4 25.7 35.7 29.0 6 6 A I < - 0 0 11 -3,-1.2 2,-0.4 -4,-0.2 23,-0.2 -0.760 54.6-176.9 -91.8 129.7 22.9 33.6 30.6 7 7 A F B +A 28 0A 21 21,-2.8 21,-2.1 -2,-0.5 2,-0.3 -0.975 19.2 142.6-137.3 146.8 23.3 32.9 34.3 8 8 A H - 0 0 10 -2,-0.4 2,-0.3 19,-0.2 19,-0.1 -0.938 16.7-168.0-167.5 150.1 21.8 31.1 37.2 9 9 A E - 0 0 35 17,-0.3 2,-1.4 -2,-0.3 17,-0.2 -0.981 31.5-122.2-144.1 142.9 23.0 29.2 40.3 10 10 A A S S+ 0 0 25 -2,-0.3 2,-0.3 102,-0.1 15,-0.0 -0.259 90.4 38.2 -83.4 50.2 21.0 27.0 42.6 11 11 A K S >> S+ 0 0 53 -2,-1.4 3,-1.9 102,-0.1 4,-1.3 -0.934 91.7 32.2-170.7-172.1 21.8 29.1 45.7 12 12 A G T 34 S- 0 0 19 -2,-0.3 393,-0.1 1,-0.2 349,-0.0 -0.176 121.7 -15.9 51.4-123.9 22.4 32.6 47.0 13 13 A S T 34 S+ 0 0 8 391,-0.2 -1,-0.2 1,-0.1 3,-0.2 0.420 136.4 57.0 -94.1 -0.4 20.4 35.3 45.4 14 14 A Y T <4 S+ 0 0 21 -3,-1.9 12,-3.0 1,-0.3 2,-0.3 0.641 117.1 22.3-105.3 -18.4 19.4 33.3 42.3 15 15 A A E < S+B 25 0A 1 -4,-1.3 -1,-0.3 10,-0.2 10,-0.2 -0.899 77.9 135.9-149.7 114.4 17.7 30.3 44.1 16 16 A Y E -B 24 0A 12 8,-2.1 8,-3.0 -2,-0.3 2,-0.1 -0.964 46.8-111.0-159.0 145.6 16.3 30.7 47.6 17 17 A P E -B 23 0A 6 0, 0.0 105,-0.4 0, 0.0 6,-0.2 -0.421 15.1-172.5 -79.3 155.8 13.1 29.7 49.5 18 18 A I E S+ 0 0 42 4,-2.3 2,-0.3 1,-0.3 5,-0.1 0.408 81.8 6.9-118.5 -10.4 10.5 32.1 50.7 19 19 A S E > S-B 22 0A 28 3,-1.1 3,-0.7 0, 0.0 -1,-0.3 -0.911 92.7 -87.8-156.4 177.1 8.6 29.4 52.6 20 20 A E T 3 S+ 0 0 56 -2,-0.3 96,-0.2 1,-0.2 98,-0.0 0.760 128.1 29.8 -67.8 -23.6 9.2 25.8 53.4 21 21 A T T 3 S+ 0 0 54 1,-0.1 54,-3.4 56,-0.1 2,-0.4 0.201 107.1 78.9-120.5 15.6 7.5 24.8 50.1 22 22 A Q E < -BC 19 74A 51 -3,-0.7 -4,-2.3 52,-0.2 -3,-1.1 -0.969 52.4-167.7-132.6 123.0 8.3 27.7 47.8 23 23 A L E -BC 17 73A 0 50,-2.3 50,-3.2 -2,-0.4 2,-0.4 -0.920 11.1-150.3-110.2 122.6 11.5 28.3 45.9 24 24 A R E -BC 16 72A 49 -8,-3.0 -8,-2.1 -2,-0.5 2,-0.4 -0.742 18.6-170.5 -86.9 135.3 12.2 31.7 44.2 25 25 A V E -BC 15 71A 1 46,-2.6 46,-2.7 -2,-0.4 2,-0.4 -0.990 4.9-170.2-129.6 140.1 14.4 31.3 41.2 26 26 A R E - C 0 70A 7 -12,-3.0 2,-0.4 -2,-0.4 -17,-0.3 -0.965 2.4-171.3-130.0 147.2 16.0 34.1 39.2 27 27 A L E - C 0 69A 2 42,-2.4 42,-3.1 -2,-0.4 2,-0.3 -1.000 7.0-155.4-140.2 135.7 17.9 34.1 35.9 28 28 A R E +AC 7 68A 30 -21,-2.1 -21,-2.8 -2,-0.4 2,-0.3 -0.841 16.3 167.5-112.3 151.5 19.8 36.8 34.1 29 29 A A E - C 0 67A 0 38,-1.8 38,-2.8 -2,-0.3 -23,-0.2 -0.957 50.2 -70.6-151.8 161.2 20.6 37.2 30.4 30 30 A K E >> S- C 0 66A 62 -28,-0.3 3,-2.2 -2,-0.3 4,-0.5 -0.350 72.0 -89.8 -55.8 136.0 21.9 39.9 28.1 31 31 A K T 34 S+ 0 0 101 34,-2.5 -1,-0.1 1,-0.3 35,-0.1 -0.289 110.0 6.3 -55.2 124.4 19.1 42.5 27.9 32 32 A G T 34 S+ 0 0 47 2,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.359 102.5 102.9 85.3 -4.1 16.7 41.8 25.0 33 33 A D T <4 S+ 0 0 30 -3,-2.2 2,-0.5 1,-0.2 -2,-0.2 0.768 79.9 44.5 -81.1 -27.6 18.4 38.5 24.3 34 34 A V < + 0 0 2 -4,-0.5 -2,-0.3 54,-0.2 54,-0.2 -0.980 54.7 176.0-123.0 126.1 15.7 36.4 25.9 35 35 A V S S+ 0 0 92 52,-2.5 2,-0.4 -2,-0.5 53,-0.2 0.761 73.1 26.6 -96.8 -31.6 11.9 37.1 25.4 36 36 A R E -E 87 0B 93 51,-1.9 51,-2.7 22,-0.1 2,-0.5 -0.997 58.8-172.9-138.9 135.1 10.4 34.2 27.4 37 37 A C E +E 86 0B 1 20,-0.5 20,-2.6 -2,-0.4 2,-0.4 -0.977 10.8 177.5-130.2 117.7 11.7 32.2 30.3 38 38 A E E -EF 85 56B 23 47,-2.4 47,-3.3 -2,-0.5 2,-0.5 -0.934 18.0-144.0-122.1 145.2 9.9 29.2 31.6 39 39 A V E -EF 84 55B 0 16,-3.8 16,-2.6 -2,-0.4 2,-0.5 -0.929 8.1-166.5-113.0 127.5 10.8 26.8 34.4 40 40 A L E +EF 83 54B 13 43,-2.7 43,-2.4 -2,-0.5 2,-0.3 -0.952 28.7 151.7-110.0 123.4 10.0 23.0 34.2 41 41 A Y E +EF 82 53B 20 12,-1.9 12,-3.6 -2,-0.5 2,-0.3 -0.893 20.6 165.9-147.7 175.6 10.4 21.2 37.5 42 42 A A E -E 81 0B 19 39,-1.8 39,-2.5 -2,-0.3 10,-0.1 -0.957 53.1 -52.8-177.1 170.9 9.4 18.4 39.9 43 43 A D > - 0 0 24 -2,-0.3 3,-2.4 37,-0.2 37,-0.2 -0.322 54.6-117.6 -58.2 141.7 10.4 16.6 43.1 44 44 A R T 3 S+ 0 0 34 1,-0.3 -1,-0.1 69,-0.2 36,-0.1 0.673 115.3 48.6 -57.1 -19.4 14.0 15.5 42.8 45 45 A Y T 3 S+ 0 0 70 34,-0.1 -1,-0.3 828,-0.1 829,-0.1 0.350 81.3 133.0-103.3 6.0 12.9 11.8 43.1 46 46 A A < - 0 0 16 -3,-2.4 -4,-0.0 1,-0.1 6,-0.0 -0.200 64.4-102.3 -57.3 147.0 10.1 12.1 40.4 47 47 A S > - 0 0 43 1,-0.1 3,-0.6 4,-0.1 -1,-0.1 -0.374 26.3-115.2 -69.8 149.4 10.1 9.3 37.9 48 48 A P T 3 S+ 0 0 134 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.448 116.0 52.5 -65.5 2.5 11.5 10.0 34.4 49 49 A E T 3 S+ 0 0 172 2,-0.1 3,-0.1 0, 0.0 -3,-0.0 0.733 82.5 100.7-106.5 -34.3 8.0 9.5 33.1 50 50 A E S < S- 0 0 117 -3,-0.6 2,-0.1 1,-0.1 -4,-0.0 -0.164 81.8-103.6 -54.9 145.5 5.9 11.9 35.3 51 51 A E - 0 0 175 1,-0.1 2,-0.2 -9,-0.0 -1,-0.1 -0.459 35.3-120.2 -72.1 144.1 5.0 15.2 33.8 52 52 A L - 0 0 33 -2,-0.1 -10,-0.2 -3,-0.1 2,-0.1 -0.579 23.6-115.7 -86.0 148.7 7.0 18.2 34.9 53 53 A A E -F 41 0B 40 -12,-3.6 -12,-1.9 -2,-0.2 2,-0.4 -0.417 28.5-131.8 -77.5 158.5 5.4 21.2 36.5 54 54 A H E +F 40 0B 117 -14,-0.2 2,-0.4 -2,-0.1 -14,-0.2 -0.951 23.4 178.0-119.9 134.8 5.5 24.5 34.8 55 55 A A E -F 39 0B 10 -16,-2.6 -16,-3.8 -2,-0.4 2,-0.6 -0.981 21.6-141.7-135.5 120.9 6.4 27.9 36.2 56 56 A L E -F 38 0B 117 -2,-0.4 2,-1.0 -18,-0.2 16,-0.2 -0.724 12.5-147.2 -85.4 121.4 6.5 31.1 34.0 57 57 A A - 0 0 5 -20,-2.6 -20,-0.5 -2,-0.6 14,-0.3 -0.751 16.3-157.7 -92.8 98.9 9.4 33.4 34.9 58 58 A G E -D 70 0A 44 12,-1.1 12,-3.1 -2,-1.0 2,-0.9 -0.313 30.6 -94.9 -72.6 157.3 8.3 36.9 34.3 59 59 A K E -D 69 0A 115 10,-0.3 10,-0.3 1,-0.2 -1,-0.1 -0.621 37.3-174.8 -76.0 106.7 10.8 39.7 33.8 60 60 A A E - 0 0 2 8,-1.8 2,-0.3 -2,-0.9 447,-0.2 0.584 59.9 -53.7 -78.0 -10.9 11.4 41.3 37.2 61 61 A G E -D 68 0A 14 7,-1.2 7,-3.1 445,-0.1 2,-0.3 -0.927 45.2-124.2 158.9 176.3 13.6 44.0 35.8 62 62 A S E -D 67 0A 37 -2,-0.3 5,-0.2 5,-0.2 337,-0.2 -0.985 16.4-168.6-152.9 141.5 16.5 45.0 33.7 63 63 A D - 0 0 5 3,-2.0 333,-0.1 -2,-0.3 334,-0.1 -0.127 55.5 -54.9-108.7-148.9 19.6 47.1 34.4 64 64 A E S S+ 0 0 93 332,-0.2 333,-0.1 1,-0.2 332,-0.0 0.923 131.5 3.3 -59.1 -46.8 22.3 48.5 32.2 65 65 A R S S+ 0 0 81 331,-0.1 -34,-2.5 -35,-0.1 2,-0.3 0.612 119.0 63.3-118.2 -15.7 23.3 45.2 30.6 66 66 A F E -C 30 0A 31 -36,-0.3 -3,-2.0 -35,-0.1 2,-0.4 -0.787 54.3-146.2-121.0 161.2 21.0 42.5 31.8 67 67 A D E -CD 29 62A 4 -38,-2.8 -38,-1.8 -2,-0.3 2,-0.5 -0.912 22.7-150.6-112.8 141.1 17.4 41.3 31.9 68 68 A Y E -CD 28 61A 11 -7,-3.1 -8,-1.8 -2,-0.4 -7,-1.2 -0.976 8.8-166.9-121.5 123.8 16.3 39.5 35.1 69 69 A F E -CD 27 59A 4 -42,-3.1 -42,-2.4 -2,-0.5 2,-0.4 -0.852 6.7-166.8-107.4 143.5 13.6 36.8 35.0 70 70 A E E +CD 26 58A 32 -12,-3.1 -12,-1.1 -2,-0.4 2,-0.3 -0.995 9.6 171.8-136.6 135.8 11.9 35.6 38.2 71 71 A A E -C 25 0A 4 -46,-2.7 -46,-2.6 -2,-0.4 2,-0.5 -0.912 24.3-135.1-136.1 162.8 9.7 32.6 39.0 72 72 A L E -C 24 0A 48 -2,-0.3 2,-0.5 -16,-0.2 -48,-0.2 -0.982 16.7-152.9-122.6 124.1 8.3 30.9 42.0 73 73 A L E -C 23 0A 0 -50,-3.2 -50,-2.3 -2,-0.5 2,-0.9 -0.842 8.8-142.3-100.5 129.4 8.4 27.1 42.3 74 74 A E E +C 22 0A 104 -2,-0.5 2,-0.6 -52,-0.2 -52,-0.2 -0.803 25.6 176.2 -89.9 107.9 5.7 25.3 44.4 75 75 A C > + 0 0 5 -54,-3.4 3,-1.3 -2,-0.9 41,-0.1 -0.751 14.8 170.7-119.1 86.3 7.6 22.4 46.1 76 76 A S T 3 S+ 0 0 105 -2,-0.6 -1,-0.2 1,-0.3 -54,-0.1 0.795 84.7 53.0 -62.9 -29.0 5.3 20.5 48.4 77 77 A T T 3 S- 0 0 48 2,-0.3 -1,-0.3 -56,-0.1 39,-0.1 0.600 106.0-129.8 -81.5 -11.5 8.0 17.8 48.8 78 78 A K S < S+ 0 0 20 -3,-1.3 38,-1.8 1,-0.2 2,-0.4 0.606 81.6 93.5 72.1 12.2 10.6 20.5 49.8 79 79 A R + 0 0 13 36,-0.2 2,-0.3 -58,-0.1 -2,-0.3 -0.999 54.2 177.2-134.6 135.2 12.9 19.0 47.2 80 80 A V E - G 0 113B 1 33,-1.8 33,-2.6 -2,-0.4 2,-0.4 -0.995 22.9-170.6-149.3 145.4 13.1 20.2 43.6 81 81 A K E +EG 42 112B 51 -39,-2.5 -39,-1.8 -2,-0.3 2,-0.3 -0.974 26.0 173.6-125.3 141.1 15.0 19.7 40.3 82 82 A Y E -EG 41 111B 1 29,-2.7 29,-2.8 -2,-0.4 2,-0.3 -0.994 22.4-160.7-152.9 156.4 14.4 22.1 37.5 83 83 A V E -E 40 0B 6 -43,-2.4 -43,-2.7 -2,-0.3 2,-0.3 -0.972 24.2-123.5-134.9 147.1 15.5 23.2 34.0 84 84 A F E -EH 39 96B 2 12,-2.9 12,-2.4 -2,-0.3 2,-0.6 -0.738 10.1-155.9 -95.4 142.6 14.9 26.5 32.1 85 85 A L E -EH 38 95B 26 -47,-3.3 -47,-2.4 -2,-0.3 2,-0.4 -0.953 20.5-169.0-116.5 105.5 13.2 26.7 28.8 86 86 A L E -EH 37 94B 0 8,-2.8 8,-2.2 -2,-0.6 2,-0.5 -0.839 8.2-165.7-104.0 134.0 14.5 30.0 27.1 87 87 A T E -EH 36 93B 30 -51,-2.7 -52,-2.5 -2,-0.4 -51,-1.9 -0.966 9.9-147.6-121.2 127.9 13.0 31.5 24.0 88 88 A G > - 0 0 2 4,-3.2 3,-1.7 -2,-0.5 -54,-0.2 -0.329 35.3 -92.8 -86.6 171.7 14.7 34.3 22.0 89 89 A P T 3 S+ 0 0 82 0, 0.0 -55,-0.1 0, 0.0 -1,-0.1 0.874 125.8 49.9 -48.7 -46.3 13.1 37.2 20.0 90 90 A Q T 3 S- 0 0 173 1,-0.1 3,-0.1 2,-0.1 -2,-0.1 -0.046 123.7-101.6 -88.4 33.4 13.1 35.1 16.8 91 91 A G S < S+ 0 0 51 -3,-1.7 2,-0.1 1,-0.2 -1,-0.1 0.351 72.8 145.2 68.6 -5.7 11.4 32.2 18.5 92 92 A E - 0 0 58 -5,-0.1 -4,-3.2 1,-0.0 2,-0.3 -0.436 32.1-159.1 -67.1 137.8 14.5 30.0 18.8 93 93 A A E +H 87 0B 56 -6,-0.2 2,-0.3 -2,-0.1 -6,-0.2 -0.882 16.0 175.2-122.5 153.2 14.4 28.0 22.1 94 94 A V E -H 86 0B 17 -8,-2.2 -8,-2.8 -2,-0.3 2,-0.3 -0.993 26.6-124.0-154.8 145.1 16.9 26.2 24.3 95 95 A Y E -HI 85 102B 55 7,-3.2 7,-2.1 -2,-0.3 2,-0.5 -0.730 20.7-160.9 -92.6 141.8 17.0 24.3 27.6 96 96 A F E +HI 84 101B 14 -12,-2.4 -12,-2.9 -2,-0.3 2,-0.2 -0.977 25.4 145.8-126.7 115.3 19.4 25.5 30.3 97 97 A G E > - I 0 100B 0 3,-2.7 3,-0.8 -2,-0.5 13,-0.2 -0.794 65.0 -80.0-137.5 179.7 20.3 23.1 33.1 98 98 A E T 3 S+ 0 0 30 1,-0.3 11,-0.2 -2,-0.2 3,-0.1 0.852 128.8 54.8 -52.0 -37.2 23.2 22.3 35.4 99 99 A T T 3 S- 0 0 72 9,-1.1 2,-0.3 1,-0.2 -1,-0.3 0.852 119.0-110.5 -66.2 -34.9 24.8 20.3 32.5 100 100 A G E < -I 97 0B 11 8,-1.6 -3,-2.7 -3,-0.8 2,-0.4 -0.992 52.6 -23.4 142.0-148.4 24.6 23.3 30.2 101 101 A F E +I 96 0B 38 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.812 58.7 152.5-106.4 143.3 22.6 24.4 27.2 102 102 A S E -I 95 0B 20 -7,-2.1 -7,-3.2 -2,-0.4 6,-0.1 -0.976 51.1-130.9-164.4 152.4 20.9 22.1 24.7 103 103 A A S S+ 0 0 83 -2,-0.3 2,-0.5 -9,-0.2 -1,-0.1 0.727 101.0 71.3 -75.5 -21.6 18.0 22.0 22.2 104 104 A E S > S- 0 0 113 1,-0.1 4,-0.9 -9,-0.1 3,-0.4 -0.859 79.4-145.4 -99.2 124.8 17.2 18.6 23.9 105 105 A R H >> S+ 0 0 123 -2,-0.5 3,-1.1 1,-0.2 4,-0.8 0.908 97.6 54.3 -53.1 -49.6 15.9 18.9 27.5 106 106 A S H >4 S+ 0 0 92 1,-0.3 3,-0.7 2,-0.2 -1,-0.2 0.860 106.4 52.1 -55.8 -38.6 17.6 15.8 28.7 107 107 A K H 34 S+ 0 0 123 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.2 0.692 98.8 64.2 -74.8 -17.9 21.0 17.0 27.6 108 108 A A H << S- 0 0 0 -3,-1.1 -8,-1.6 -4,-0.9 -9,-1.1 0.722 94.5-154.7 -76.4 -21.1 20.6 20.3 29.4 109 109 A G << - 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0 0 67 -2,-0.3 4,-2.8 1,-0.0 5,-0.2 -0.355 39.9 -82.7 -97.6-178.5 19.6 60.7 34.0 391 391 A A H > S+ 0 0 0 120,-0.3 4,-2.0 1,-0.2 121,-0.1 0.800 125.4 49.4 -54.2 -38.4 16.3 58.7 34.5 392 392 A E H > S+ 0 0 86 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.908 112.9 45.8 -71.6 -41.1 17.4 55.7 32.6 393 393 A R H > S+ 0 0 67 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.942 111.1 53.8 -65.0 -46.3 20.7 55.3 34.4 394 394 A F H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 5,-0.2 0.931 108.9 49.9 -50.8 -49.7 18.9 55.9 37.7 395 395 A D H X S+ 0 0 27 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.908 111.0 48.6 -55.9 -47.8 16.6 53.0 36.8 396 396 A A H X S+ 0 0 7 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.905 110.5 50.2 -62.1 -45.2 19.5 50.7 35.9 397 397 A E H X S+ 0 0 22 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.893 112.4 47.0 -61.6 -42.2 21.4 51.4 39.1 398 398 A L H X S+ 0 0 5 -4,-2.2 4,-2.6 -5,-0.2 -2,-0.2 0.941 114.4 47.2 -64.8 -47.7 18.3 50.8 41.3 399 399 A T H X S+ 0 0 2 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.903 110.5 50.6 -61.1 -46.6 17.5 47.5 39.5 400 400 A R H < S+ 0 0 95 -4,-2.7 -1,-0.2 1,-0.2 4,-0.2 0.926 113.4 46.4 -59.6 -45.8 21.0 46.1 39.5 401 401 A A H >< S+ 0 0 16 -4,-1.9 3,-2.1 -5,-0.2 4,-0.4 0.937 108.2 56.4 -62.4 -45.1 21.2 46.8 43.3 402 402 A R H >< S+ 0 0 23 -4,-2.6 3,-0.6 1,-0.3 -1,-0.2 0.853 105.3 51.9 -55.3 -37.8 17.8 45.3 43.9 403 403 A M T 3< S+ 0 0 4 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.404 87.7 88.3 -81.6 2.8 18.9 42.0 42.2 404 404 A L T < S+ 0 0 37 -3,-2.1 -1,-0.2 -4,-0.2 -2,-0.2 0.878 93.7 18.6 -68.8 -40.3 22.0 41.7 44.4 405 405 A Y S < S- 0 0 11 -3,-0.6 -41,-0.1 -4,-0.4 -392,-0.1 -0.728 95.1 -71.8-129.0 173.9 20.5 39.9 47.4 406 406 A P >> - 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q 0 451C 8 -2,-1.1 36,-0.1 -43,-0.2 3,-0.1 -0.585 30.6-162.9 -97.4 158.7 19.9 56.6 53.7 417 417 A L S S- 0 0 2 34,-0.5 2,-0.3 1,-0.4 -1,-0.1 0.608 78.2 -24.0-107.5 -25.4 20.4 60.0 52.0 418 418 A D - 0 0 2 33,-0.3 -1,-0.4 6,-0.1 2,-0.3 -0.923 61.4-161.1-168.4-176.3 23.3 60.9 54.2 419 419 A S > - 0 0 15 4,-0.3 3,-1.7 -2,-0.3 34,-0.1 -0.937 48.8 -69.5-165.5-176.9 24.9 60.3 57.6 420 420 A H T 3 S+ 0 0 7 -2,-0.3 48,-0.2 1,-0.3 49,-0.1 0.495 128.1 53.0 -65.5 -4.2 27.3 61.5 60.3 421 421 A D T 3 S+ 0 0 86 2,-0.1 2,-0.3 43,-0.1 -1,-0.3 0.159 107.2 51.7-117.9 17.3 30.1 60.8 57.8 422 422 A T S < S- 0 0 27 -3,-1.7 2,-0.1 41,-0.1 3,-0.1 -0.921 90.5 -84.4-145.1 170.2 28.9 62.8 54.8 423 423 A E - 0 0 65 -2,-0.3 -4,-0.3 41,-0.2 40,-0.2 -0.401 60.6 -92.2 -71.3 154.3 27.6 66.2 53.7 424 424 A R >> - 0 0 0 38,-2.4 4,-1.8 1,-0.1 3,-0.6 -0.414 29.8-121.4 -70.1 146.6 23.9 66.7 54.3 425 425 A F H 3> S+ 0 0 0 1,-0.3 4,-1.6 2,-0.2 6,-0.2 0.840 112.2 59.9 -57.3 -35.0 21.6 65.8 51.4 426 426 A L H 34>S+ 0 0 22 34,-0.3 5,-2.7 1,-0.2 6,-0.4 0.900 107.2 46.8 -60.4 -40.3 20.2 69.3 51.3 427 427 A T H X45S+ 0 0 45 -3,-0.6 3,-2.1 35,-0.3 -1,-0.2 0.859 105.9 57.3 -69.8 -35.6 23.8 70.6 50.7 428 428 A S H 3<5S+ 0 0 13 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.838 105.4 53.2 -62.0 -31.5 24.4 67.9 48.0 429 429 A C T ><5S- 0 0 6 -4,-1.6 3,-1.8 -5,-0.2 -1,-0.3 0.236 121.2-114.7 -85.8 12.4 21.3 69.5 46.3 430 430 A G T < 5S- 0 0 70 -3,-2.1 -3,-0.2 1,-0.3 -2,-0.1 0.814 70.0 -57.6 56.5 32.9 23.0 72.8 46.6 431 431 A G T 3 - 0 0 56 -3,-1.8 4,-2.0 -6,-0.4 -1,-0.2 -0.708 31.2-169.3 -84.3 108.1 17.5 73.4 46.5 433 433 A E H > S+ 0 0 65 -2,-0.9 4,-2.9 1,-0.2 5,-0.2 0.776 82.9 61.1 -67.0 -27.8 14.5 72.2 48.5 434 434 A A H > S+ 0 0 39 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.928 108.9 41.7 -64.7 -45.8 12.6 71.1 45.5 435 435 A K H > S+ 0 0 56 -3,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.919 114.9 52.8 -65.5 -43.6 15.3 68.6 44.5 436 436 A F H X S+ 0 0 1 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.911 109.1 48.7 -57.5 -47.9 15.6 67.6 48.2 437 437 A R H X S+ 0 0 74 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.855 107.5 53.9 -63.5 -37.5 11.8 67.0 48.5 438 438 A L H X S+ 0 0 3 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.866 108.7 50.6 -66.9 -32.9 11.6 64.8 45.4 439 439 A A H X S+ 0 0 0 -4,-1.7 4,-2.7 2,-0.2 -1,-0.2 0.866 111.0 47.9 -70.2 -37.8 14.4 62.7 46.8 440 440 A V H X S+ 0 0 0 -4,-1.8 4,-3.1 2,-0.2 -2,-0.2 0.903 108.5 54.5 -69.3 -41.1 12.5 62.3 50.1 441 441 A L H X S+ 0 0 6 -4,-2.6 4,-0.6 1,-0.2 -2,-0.2 0.927 112.0 44.8 -57.7 -44.9 9.3 61.4 48.2 442 442 A F H >X S+ 0 0 0 -4,-1.9 4,-1.6 2,-0.2 3,-1.4 0.956 112.2 51.6 -62.9 -51.3 11.3 58.7 46.5 443 443 A Q H >< S+ 0 0 0 -4,-2.7 3,-0.5 1,-0.3 -2,-0.2 0.922 109.5 50.0 -49.4 -51.6 12.9 57.5 49.7 444 444 A M H 3< S+ 0 0 1 -4,-3.1 -1,-0.3 1,-0.2 -2,-0.2 0.574 119.3 36.6 -68.0 -12.1 9.5 57.3 51.5 445 445 A T H << S+ 0 0 2 -3,-1.4 -1,-0.2 -4,-0.6 -2,-0.2 0.470 98.0 95.7-119.5 -4.1 7.9 55.2 48.6 446 446 A Y S << S- 0 0 11 -4,-1.6 2,-0.4 -3,-0.5 -31,-0.1 -0.364 85.7 -82.3 -87.9 166.8 10.8 53.0 47.5 447 447 A L S S+ 0 0 18 -2,-0.1 2,-0.2 2,-0.1 -1,-0.1 -0.518 94.0 40.3 -69.3 120.1 11.7 49.4 48.4 448 448 A G S S- 0 0 2 -37,-0.5 -34,-0.2 -2,-0.4 -36,-0.1 -0.776 98.6 -53.4 132.7-178.1 13.7 49.3 51.7 449 449 A T E - q 0 414C 5 -36,-3.9 -34,-2.7 -2,-0.2 -317,-0.1 -0.860 50.9-128.8-100.8 117.9 13.7 51.0 55.1 450 450 A P E - q 0 415C 0 0, 0.0 -317,-2.7 0, 0.0 2,-0.5 -0.408 22.4-162.6 -64.9 135.0 13.7 54.8 55.1 451 451 A L E -kq 133 416C 2 -36,-1.8 -34,-0.5 -319,-0.2 2,-0.5 -0.972 0.9-159.1-125.0 118.0 16.4 56.2 57.3 452 452 A I E -k 134 0C 2 -319,-3.3 -317,-3.7 -2,-0.5 2,-0.4 -0.817 11.4-140.7 -98.4 128.9 16.2 59.9 58.4 453 453 A Y E > -k 135 0C 1 -2,-0.5 3,-2.1 -319,-0.2 4,-0.4 -0.754 43.1 -90.1 -86.8 132.9 19.4 61.7 59.6 454 454 A Y T 3 S+ 0 0 0 -319,-2.0 -1,-0.1 -2,-0.4 -318,-0.0 -0.093 109.8 13.3 -47.2 130.5 18.6 64.0 62.5 455 455 A G T > >S+ 0 0 0 17,-0.1 5,-1.9 18,-0.1 3,-1.6 0.085 93.9 103.3 92.8 -25.4 17.6 67.5 61.5 456 456 A D G X 5S+ 0 0 1 -3,-2.1 3,-1.7 1,-0.3 -2,-0.1 0.897 77.3 60.3 -56.3 -38.7 17.1 66.7 57.8 457 457 A E G 3 5S+ 0 0 0 -4,-0.4 -1,-0.3 1,-0.3 30,-0.2 0.667 108.1 43.3 -64.5 -17.3 13.3 66.8 58.4 458 458 A I G < 5S- 0 0 5 -3,-1.6 22,-1.9 25,-0.1 -1,-0.3 0.160 125.5 -96.3-113.7 17.7 13.5 70.4 59.6 459 459 A G T < 5 + 0 0 23 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.788 60.4 167.0 74.6 34.3 15.9 71.6 56.8 460 460 A M < - 0 0 11 -5,-1.9 -34,-0.3 20,-0.1 2,-0.3 -0.443 12.4-171.3 -75.8 154.0 19.3 71.4 58.4 461 461 A A + 0 0 31 -35,-0.1 2,-0.2 -2,-0.1 9,-0.2 -0.819 15.4 134.4-136.0 176.2 22.3 71.7 56.0 462 462 A G - 0 0 2 -2,-0.3 -38,-2.4 -38,-0.2 -35,-0.3 -0.664 46.7 -90.5 151.1 154.1 26.1 71.4 56.1 463 463 A A - 0 0 48 -40,-0.2 -39,-0.1 -2,-0.2 -41,-0.1 -0.197 66.5 -67.9 -76.1 177.0 29.2 70.0 54.6 464 464 A T S > S- 0 0 68 3,-0.2 3,-2.0 1,-0.2 -1,-0.2 0.007 92.8 -1.2 -60.6 174.7 30.6 66.6 55.5 465 465 A D T 3 S+ 0 0 55 1,-0.4 -1,-0.2 2,-0.2 -301,-0.1 -0.032 132.3 14.6 -40.6 134.0 31.9 65.8 59.0 466 466 A P T > S+ 0 0 24 0, 0.0 3,-2.0 0, 0.0 -1,-0.4 -0.990 126.5 54.6 -92.7 4.3 32.1 67.8 61.1 467 467 A D G X S+ 0 0 31 -3,-2.0 3,-0.6 1,-0.3 -2,-0.2 0.695 103.2 61.0 -66.9 -15.9 29.8 70.3 59.5 468 468 A C G 3 S+ 0 0 0 1,-0.2 -1,-0.3 -48,-0.2 -3,-0.1 0.481 93.9 69.5 -85.7 -1.7 27.2 67.6 59.2 469 469 A L G < + 0 0 11 -3,-2.0 -1,-0.2 -5,-0.2 -2,-0.1 -0.035 67.4 146.7-105.5 28.1 27.3 67.4 63.0 470 470 A R < - 0 0 36 -3,-0.6 3,-0.1 -9,-0.2 -309,-0.1 -0.269 60.5 -89.1 -64.0 152.3 25.7 70.8 63.8 471 471 A P - 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