==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-JUN-01 1JI2 . COMPND 2 MOLECULE: ALPHA-AMYLASE II; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOACTINOMYCES VULGARIS; . AUTHOR S.KAMITORI,A.ABE,A.OHTAKI,A.KAJI,T.TONOZUKA,Y.SAKANO . 1170 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43962.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 807 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 62 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 208 17.8 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 . 107 9.1 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 . 229 19.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.4 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 7 2 2 2 0 2 0 3 3 2 2 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 8 4 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 5 6 7 3 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 48 0, 0.0 2,-1.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 169.3 20.5 33.9 21.7 2 2 A L > - 0 0 65 1,-0.2 3,-1.4 28,-0.1 28,-0.4 -0.730 360.0-175.9 -91.6 94.7 23.9 34.5 23.4 3 3 A L G > S+ 0 0 27 -2,-1.2 3,-1.3 1,-0.3 -1,-0.2 0.765 76.5 65.0 -62.0 -29.7 24.1 31.5 25.7 4 4 A E G 3 S+ 0 0 24 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.701 101.1 52.6 -69.1 -17.1 27.4 32.7 27.4 5 5 A A G < S+ 0 0 2 -3,-1.4 2,-0.4 586,-0.0 -1,-0.3 0.435 88.0 98.1 -97.2 0.0 25.5 35.7 28.8 6 6 A I < - 0 0 11 -3,-1.3 2,-0.4 -4,-0.2 23,-0.2 -0.734 55.4-175.3 -91.4 134.8 22.7 33.6 30.4 7 7 A F B +A 28 0A 23 21,-3.1 21,-2.1 -2,-0.4 2,-0.3 -0.984 20.4 142.8-142.1 144.1 23.1 32.9 34.1 8 8 A H - 0 0 10 -2,-0.4 2,-0.3 19,-0.2 19,-0.1 -0.954 15.9-168.8-163.3 151.5 21.5 31.0 37.0 9 9 A E - 0 0 33 17,-0.3 2,-1.8 -2,-0.3 17,-0.2 -0.981 33.0-120.0-146.2 140.4 22.8 29.1 40.0 10 10 A A S S+ 0 0 26 -2,-0.3 2,-0.3 102,-0.1 15,-0.0 -0.194 89.9 32.5 -77.0 48.1 20.7 26.9 42.3 11 11 A K S >> S+ 0 0 62 -2,-1.8 3,-2.1 5,-0.1 4,-0.9 -0.970 90.0 37.4-175.0-173.8 21.5 29.1 45.4 12 12 A G T 34 S- 0 0 15 -2,-0.3 3,-0.1 1,-0.3 393,-0.1 -0.278 122.3 -15.8 56.0-124.1 22.3 32.5 46.8 13 13 A S T 34 S+ 0 0 9 1,-0.2 -1,-0.3 391,-0.2 3,-0.2 0.430 138.0 55.8 -93.6 -0.9 20.2 35.2 45.1 14 14 A Y T <4 S+ 0 0 22 -3,-2.1 12,-2.7 1,-0.3 2,-0.3 0.614 117.7 24.4-106.3 -15.6 19.2 33.2 42.1 15 15 A A E < S+B 25 0A 0 -4,-0.9 -1,-0.3 10,-0.2 10,-0.2 -0.876 77.2 132.9-150.1 113.3 17.6 30.2 43.9 16 16 A Y E -B 24 0A 12 8,-2.0 8,-2.4 -2,-0.3 2,-0.1 -0.971 48.0-110.7-159.5 146.5 16.2 30.6 47.5 17 17 A P E -B 23 0A 5 0, 0.0 105,-0.5 0, 0.0 6,-0.2 -0.473 14.2-170.6 -81.2 152.6 13.0 29.6 49.3 18 18 A I E S+ 0 0 42 4,-2.3 2,-0.3 1,-0.3 5,-0.1 0.446 82.2 4.2-113.6 -10.1 10.3 32.0 50.5 19 19 A S E > S-B 22 0A 28 3,-1.1 3,-0.6 0, 0.0 -1,-0.3 -0.904 92.7 -86.5-157.6 178.0 8.5 29.3 52.4 20 20 A E T 3 S+ 0 0 55 -2,-0.3 96,-0.2 1,-0.2 98,-0.0 0.731 127.2 30.4 -69.0 -22.9 9.0 25.7 53.2 21 21 A T T 3 S+ 0 0 57 1,-0.1 54,-2.9 56,-0.1 2,-0.4 0.249 107.1 78.2-120.0 12.9 7.3 24.6 50.0 22 22 A Q E < -BC 19 74A 54 -3,-0.6 -4,-2.3 52,-0.2 -3,-1.1 -0.968 53.3-166.8-131.8 123.4 8.1 27.5 47.6 23 23 A L E -BC 17 73A 0 50,-2.3 50,-2.8 -2,-0.4 2,-0.3 -0.912 9.2-152.5-111.6 119.0 11.3 28.2 45.7 24 24 A R E -BC 16 72A 46 -8,-2.4 -8,-2.0 -2,-0.6 2,-0.4 -0.681 17.4-172.8 -84.7 138.2 12.0 31.5 44.0 25 25 A V E -BC 15 71A 1 46,-2.3 46,-2.5 -2,-0.3 2,-0.3 -0.998 4.8-168.7-135.1 138.4 14.3 31.3 41.0 26 26 A R E - C 0 70A 10 -12,-2.7 2,-0.3 -2,-0.4 -17,-0.3 -0.927 2.1-171.7-127.2 151.8 15.8 34.1 39.0 27 27 A L E - C 0 69A 1 42,-2.4 42,-3.3 -2,-0.3 2,-0.4 -0.998 7.2-155.0-143.9 137.3 17.7 34.1 35.7 28 28 A R E +AC 7 68A 31 -21,-2.1 -21,-3.1 -2,-0.3 2,-0.3 -0.881 14.8 170.9-116.2 149.4 19.6 36.8 33.9 29 29 A A E - C 0 67A 0 38,-1.6 38,-2.5 -2,-0.4 -23,-0.2 -0.960 49.7 -72.3-147.2 157.0 20.3 37.1 30.2 30 30 A K E >> S- C 0 66A 64 -28,-0.4 3,-2.2 -2,-0.3 4,-0.6 -0.285 71.8 -86.9 -53.4 137.1 21.8 39.9 28.0 31 31 A K T 34 S+ 0 0 102 34,-2.8 -1,-0.1 1,-0.3 35,-0.1 -0.213 112.0 6.9 -52.8 125.8 19.1 42.6 27.7 32 32 A G T 34 S+ 0 0 45 2,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.183 102.7 102.9 88.4 -16.3 16.7 41.9 24.8 33 33 A D T <4 S+ 0 0 27 -3,-2.2 2,-0.5 1,-0.1 -2,-0.1 0.857 78.7 43.8 -67.6 -40.1 18.2 38.5 24.1 34 34 A V < + 0 0 1 -4,-0.6 -2,-0.3 54,-0.2 54,-0.2 -0.935 52.9 174.8-114.0 132.5 15.5 36.4 25.8 35 35 A V S S+ 0 0 92 52,-2.9 2,-0.4 -2,-0.5 53,-0.2 0.684 73.4 29.9-104.0 -26.9 11.7 37.1 25.3 36 36 A R E -E 87 0B 91 51,-1.8 51,-2.8 22,-0.1 2,-0.5 -0.993 58.4-175.8-140.8 131.4 10.3 34.1 27.2 37 37 A C E +E 86 0B 1 20,-0.5 20,-2.3 -2,-0.4 2,-0.3 -0.984 11.2 175.7-128.1 119.3 11.6 32.2 30.1 38 38 A E E -EF 85 56B 22 47,-2.4 47,-3.2 -2,-0.5 2,-0.5 -0.935 19.2-143.6-124.2 148.6 9.7 29.2 31.4 39 39 A V E -EF 84 55B 0 16,-3.1 16,-1.7 -2,-0.3 2,-0.6 -0.950 7.3-165.8-117.4 123.7 10.6 26.7 34.1 40 40 A L E +EF 83 54B 12 43,-2.8 43,-2.5 -2,-0.5 2,-0.3 -0.928 28.4 159.8-105.2 121.0 9.8 23.0 33.9 41 41 A Y E +EF 82 53B 18 12,-2.1 12,-3.0 -2,-0.6 2,-0.3 -0.914 19.8 167.2-142.5 168.4 10.2 21.3 37.3 42 42 A A E -E 81 0B 17 39,-2.2 39,-2.9 -2,-0.3 10,-0.1 -0.965 50.8 -63.3-167.7 167.7 9.3 18.3 39.5 43 43 A D > - 0 0 24 -2,-0.3 3,-2.1 37,-0.2 37,-0.3 -0.350 52.9-115.9 -60.2 143.8 10.3 16.6 42.7 44 44 A R T 3 S+ 0 0 38 1,-0.3 -1,-0.1 69,-0.2 36,-0.1 0.721 114.8 47.4 -56.9 -24.3 13.8 15.3 42.5 45 45 A Y T 3 S+ 0 0 69 34,-0.1 -1,-0.3 828,-0.1 829,-0.1 0.344 82.3 132.8-100.5 8.5 12.7 11.7 42.8 46 46 A A < - 0 0 14 -3,-2.1 -4,-0.0 1,-0.1 6,-0.0 -0.276 67.0-100.1 -61.0 141.2 10.0 12.0 40.2 47 47 A S > - 0 0 47 1,-0.1 3,-1.2 4,-0.0 -1,-0.1 -0.303 27.8-118.4 -60.7 143.7 9.9 9.2 37.6 48 48 A P T 3 S+ 0 0 130 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.575 113.5 54.8 -61.9 -6.0 11.5 10.1 34.3 49 49 A E T 3 S+ 0 0 178 2,-0.1 -2,-0.0 0, 0.0 -3,-0.0 0.690 83.1 100.6-100.2 -23.6 8.1 9.5 32.7 50 50 A E S < S- 0 0 119 -3,-1.2 2,-0.1 1,-0.1 -4,-0.0 -0.192 81.2 -99.6 -62.7 156.4 5.9 11.8 34.8 51 51 A E - 0 0 170 1,-0.1 2,-0.3 -9,-0.0 -1,-0.1 -0.473 35.5-124.3 -75.6 147.8 4.8 15.2 33.5 52 52 A L - 0 0 36 -2,-0.1 -10,-0.2 -10,-0.1 2,-0.1 -0.705 21.6-117.0 -94.1 145.3 6.8 18.3 34.7 53 53 A A E -F 41 0B 43 -12,-3.0 -12,-2.1 -2,-0.3 2,-0.4 -0.444 29.7-131.6 -76.1 155.8 5.0 21.2 36.3 54 54 A H E +F 40 0B 111 -14,-0.2 2,-0.4 -2,-0.1 -14,-0.2 -0.899 23.2 179.7-115.0 142.1 5.2 24.6 34.5 55 55 A A E -F 39 0B 10 -16,-1.7 -16,-3.1 -2,-0.4 2,-0.5 -0.956 20.3-142.4-142.0 118.7 6.1 28.0 35.9 56 56 A L E -F 38 0B 119 -2,-0.4 2,-0.9 -18,-0.2 16,-0.3 -0.709 13.6-146.4 -83.9 123.3 6.2 31.1 33.8 57 57 A A - 0 0 5 -20,-2.3 -20,-0.5 -2,-0.5 14,-0.3 -0.785 15.8-151.5 -93.0 101.6 9.1 33.4 34.8 58 58 A G E -D 70 0A 43 12,-1.1 12,-2.9 -2,-0.9 2,-1.0 -0.318 29.8 -96.4 -70.2 154.5 8.0 37.0 34.3 59 59 A K E -D 69 0A 112 10,-0.2 10,-0.3 1,-0.2 -1,-0.1 -0.614 39.0-173.7 -73.7 105.3 10.6 39.7 33.5 60 60 A A E - 0 0 1 8,-1.9 2,-0.3 -2,-1.0 -1,-0.2 0.674 58.1 -56.9 -75.0 -18.0 11.2 41.1 37.0 61 61 A G E -D 68 0A 14 7,-1.3 7,-3.4 445,-0.1 2,-0.3 -0.962 44.7-127.2 162.9-179.0 13.3 43.9 35.6 62 62 A S E -D 67 0A 36 -2,-0.3 5,-0.2 5,-0.3 337,-0.2 -0.967 15.9-167.8-159.0 144.3 16.4 44.8 33.6 63 63 A D - 0 0 4 3,-1.6 333,-0.1 -2,-0.3 334,-0.1 -0.165 56.0 -51.9-113.4-149.9 19.4 47.0 34.2 64 64 A E S S+ 0 0 90 1,-0.2 333,-0.1 332,-0.2 332,-0.0 0.902 133.2 5.3 -57.1 -44.3 22.1 48.5 32.0 65 65 A R S S+ 0 0 82 331,-0.1 -34,-2.8 -35,-0.1 2,-0.3 0.620 118.7 56.9-119.4 -15.8 23.1 45.1 30.5 66 66 A F E -C 30 0A 20 -36,-0.3 -3,-1.6 -35,-0.1 2,-0.4 -0.784 54.4-142.3-124.1 165.9 20.6 42.4 31.6 67 67 A D E -CD 29 62A 4 -38,-2.5 -38,-1.6 -2,-0.3 2,-0.5 -0.911 25.4-147.2-113.8 143.7 17.0 41.3 31.7 68 68 A Y E -CD 28 61A 9 -7,-3.4 -8,-1.9 -2,-0.4 -7,-1.3 -0.971 9.6-164.4-120.9 123.4 16.0 39.4 34.9 69 69 A F E -CD 27 59A 5 -42,-3.3 -42,-2.4 -2,-0.5 2,-0.4 -0.865 7.4-168.1-106.6 140.2 13.4 36.7 34.8 70 70 A E E +CD 26 58A 29 -12,-2.9 -12,-1.1 -2,-0.4 2,-0.3 -0.988 8.4 173.2-132.8 137.9 11.8 35.5 38.0 71 71 A A E -C 25 0A 4 -46,-2.5 -46,-2.3 -2,-0.4 2,-0.5 -0.950 24.0-135.5-139.8 158.2 9.6 32.5 38.8 72 72 A L E -C 24 0A 53 -2,-0.3 2,-0.5 -16,-0.3 -48,-0.2 -0.970 18.4-153.8-117.9 124.3 8.0 30.8 41.8 73 73 A L E -C 23 0A 0 -50,-2.8 -50,-2.3 -2,-0.5 2,-0.9 -0.860 7.4-145.2-102.6 127.2 8.2 27.0 42.1 74 74 A E E +C 22 0A 101 -2,-0.5 2,-0.6 -52,-0.2 -52,-0.2 -0.799 25.5 172.5 -91.0 106.0 5.5 25.1 44.1 75 75 A C > + 0 0 5 -54,-2.9 3,-1.7 -2,-0.9 5,-0.1 -0.755 12.3 173.7-119.9 84.4 7.4 22.2 45.7 76 76 A S T 3 S+ 0 0 108 -2,-0.6 -1,-0.1 1,-0.3 -54,-0.1 0.762 84.8 53.6 -60.4 -26.4 5.1 20.4 48.1 77 77 A T T 3 S- 0 0 48 2,-0.3 -1,-0.3 -3,-0.1 39,-0.1 0.579 107.2-128.8 -84.3 -9.1 7.8 17.7 48.6 78 78 A K S < S+ 0 0 18 -3,-1.7 38,-2.2 1,-0.2 2,-0.4 0.650 82.4 93.9 70.0 15.5 10.3 20.5 49.5 79 79 A R + 0 0 9 36,-0.2 2,-0.4 -58,-0.1 -2,-0.3 -0.998 54.0 177.6-137.7 131.9 12.7 19.0 46.9 80 80 A V E - G 0 113B 2 33,-1.6 33,-2.4 -2,-0.4 2,-0.4 -0.996 22.4-171.0-146.7 144.4 12.9 20.1 43.3 81 81 A K E +EG 42 112B 48 -39,-2.9 -39,-2.2 -2,-0.4 2,-0.3 -0.956 27.3 169.9-122.9 142.9 14.8 19.6 40.0 82 82 A Y E -EG 41 111B 1 29,-2.2 29,-3.2 -2,-0.4 2,-0.3 -0.998 24.5-159.1-157.5 158.2 14.2 22.0 37.2 83 83 A V E -E 40 0B 6 -43,-2.5 -43,-2.8 -2,-0.3 2,-0.3 -0.973 24.1-123.4-137.4 147.8 15.3 23.1 33.7 84 84 A F E -EH 39 96B 2 12,-2.8 12,-2.6 -2,-0.3 2,-0.6 -0.750 9.7-154.2 -96.0 142.1 14.7 26.4 31.9 85 85 A L E -EH 38 95B 25 -47,-3.2 -47,-2.4 -2,-0.3 2,-0.4 -0.962 21.8-167.5-113.3 111.2 13.0 26.7 28.5 86 86 A L E -EH 37 94B 0 8,-3.2 8,-1.9 -2,-0.6 2,-0.4 -0.869 8.3-165.8-109.1 133.8 14.3 29.9 26.9 87 87 A T E -EH 36 93B 29 -51,-2.8 -52,-2.9 -2,-0.4 -51,-1.8 -0.955 8.0-150.2-121.1 133.4 12.8 31.6 23.8 88 88 A G > - 0 0 4 4,-2.9 3,-1.9 -2,-0.4 -54,-0.2 -0.321 36.6 -91.2 -92.3 176.8 14.5 34.3 21.7 89 89 A P T 3 S+ 0 0 85 0, 0.0 -55,-0.1 0, 0.0 -56,-0.1 0.772 125.9 48.5 -56.6 -31.1 13.1 37.2 19.6 90 90 A Q T 3 S- 0 0 182 2,-0.1 3,-0.1 0, 0.0 -2,-0.0 0.154 123.9-100.0 -98.6 18.2 13.1 35.1 16.5 91 91 A G S < S+ 0 0 53 -3,-1.9 2,-0.3 1,-0.3 0, 0.0 0.408 72.3 147.7 82.2 -3.1 11.3 32.1 18.1 92 92 A E - 0 0 64 -5,-0.1 -4,-2.9 1,-0.0 2,-0.3 -0.508 29.8-161.6 -70.3 129.2 14.5 30.1 18.7 93 93 A A E +H 87 0B 55 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.789 13.7 176.3-113.1 155.7 14.2 28.0 21.9 94 94 A V E -H 86 0B 15 -8,-1.9 -8,-3.2 -2,-0.3 2,-0.4 -0.986 26.4-126.2-156.2 145.1 16.7 26.3 24.1 95 95 A Y E -HI 85 102B 53 7,-3.1 7,-1.8 -2,-0.3 2,-0.5 -0.786 21.6-160.2 -95.1 139.8 16.8 24.3 27.3 96 96 A F E +HI 84 101B 13 -12,-2.6 -12,-2.8 -2,-0.4 2,-0.2 -0.970 25.3 146.6-125.3 114.9 19.1 25.5 30.1 97 97 A G E > - I 0 100B 0 3,-2.6 3,-0.7 -2,-0.5 13,-0.2 -0.767 64.6 -81.7-136.2 179.7 20.1 23.1 32.8 98 98 A E T 3 S+ 0 0 31 1,-0.3 11,-0.2 -2,-0.2 3,-0.1 0.813 127.6 55.4 -55.5 -31.0 23.0 22.3 35.1 99 99 A T T 3 S- 0 0 74 9,-1.3 2,-0.3 1,-0.2 -1,-0.3 0.840 118.5-106.7 -72.4 -33.3 24.5 20.3 32.2 100 100 A G E < -I 97 0B 12 8,-1.5 -3,-2.6 -3,-0.7 2,-0.4 -0.997 53.0 -28.7 144.6-147.9 24.4 23.2 29.8 101 101 A F E +I 96 0B 39 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.859 57.6 149.5-111.6 144.9 22.3 24.3 26.9 102 102 A S E -I 95 0B 23 -7,-1.8 -7,-3.1 -2,-0.4 6,-0.1 -0.966 51.9-128.4-166.1 153.2 20.6 22.1 24.3 103 103 A A S S+ 0 0 82 -2,-0.3 2,-0.5 -9,-0.2 3,-0.1 0.714 101.7 73.5 -76.2 -21.0 17.6 22.0 22.0 104 104 A E S > S- 0 0 110 1,-0.2 4,-0.7 -9,-0.1 3,-0.3 -0.846 78.8-147.7 -95.9 124.6 16.9 18.6 23.7 105 105 A R H >> S+ 0 0 120 -2,-0.5 3,-1.7 1,-0.2 4,-0.7 0.929 95.2 56.2 -55.6 -51.2 15.7 18.9 27.3 106 106 A S H >4 S+ 0 0 93 1,-0.3 3,-0.8 2,-0.2 -1,-0.2 0.843 105.9 51.0 -51.6 -40.0 17.3 15.7 28.5 107 107 A K H 34 S+ 0 0 129 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.614 99.1 65.1 -77.5 -11.9 20.8 16.9 27.4 108 108 A A H << S- 0 0 0 -3,-1.7 -8,-1.5 -4,-0.7 -9,-1.3 0.680 95.6-151.7 -81.7 -17.6 20.4 20.3 29.2 109 109 A G << - 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q 0 451C 9 -2,-1.1 36,-0.1 -43,-0.2 3,-0.1 -0.567 29.9-161.0 -94.8 158.4 19.7 56.5 53.6 417 417 A L S S- 0 0 2 34,-0.5 2,-0.3 1,-0.4 -1,-0.1 0.656 77.2 -26.5-104.6 -26.9 20.1 59.9 51.9 418 418 A D - 0 0 2 33,-0.2 -1,-0.4 4,-0.1 2,-0.3 -0.899 60.6-152.6-167.4-172.2 23.1 60.8 54.0 419 419 A S > - 0 0 15 4,-0.3 3,-1.7 -2,-0.3 46,-0.1 -0.936 46.9 -76.7-164.5-179.5 24.8 60.2 57.4 420 420 A H T 3 S+ 0 0 4 -2,-0.3 48,-0.2 1,-0.3 49,-0.1 0.520 129.8 53.3 -67.9 -4.5 27.1 61.7 60.1 421 421 A D T 3 S+ 0 0 82 2,-0.1 2,-0.3 43,-0.1 -1,-0.3 0.245 106.8 55.3-113.2 7.9 29.9 60.8 57.6 422 422 A T S < S- 0 0 23 -3,-1.7 2,-0.1 42,-0.1 3,-0.1 -0.872 91.6 -90.6-135.0 169.0 28.5 62.6 54.6 423 423 A E - 0 0 66 -2,-0.3 -4,-0.3 41,-0.2 40,-0.2 -0.439 60.5 -90.3 -72.8 156.0 27.4 66.1 53.6 424 424 A R > - 0 0 0 38,-2.2 4,-1.9 39,-0.2 3,-0.4 -0.418 30.3-121.7 -70.1 145.7 23.6 66.6 54.2 425 425 A F H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 6,-0.2 0.858 111.8 59.2 -56.0 -37.9 21.4 65.7 51.3 426 426 A L H 4>S+ 0 0 21 34,-0.3 5,-2.4 1,-0.2 6,-0.4 0.932 108.3 45.5 -56.8 -46.6 20.0 69.2 51.2 427 427 A T H >45S+ 0 0 43 -3,-0.4 3,-1.9 1,-0.2 -1,-0.2 0.840 107.2 57.1 -66.0 -34.1 23.5 70.6 50.6 428 428 A S H 3<5S+ 0 0 13 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.846 104.4 54.8 -64.2 -31.0 24.2 67.9 48.0 429 429 A C T ><5S- 0 0 5 -4,-1.8 3,-2.1 -5,-0.2 -1,-0.3 0.230 121.9-114.0 -84.0 13.3 21.1 69.4 46.3 430 430 A G T < 5 - 0 0 71 -3,-1.9 -3,-0.2 1,-0.3 -2,-0.1 0.832 69.8 -58.7 56.3 33.5 22.8 72.8 46.4 431 431 A G T 3 - 0 0 56 -3,-2.1 4,-1.8 -6,-0.4 -1,-0.2 -0.644 30.9-170.1 -77.4 111.4 17.4 73.3 46.4 433 433 A E H > S+ 0 0 67 -2,-0.8 4,-2.9 1,-0.2 5,-0.2 0.778 82.5 61.6 -72.3 -28.6 14.4 72.1 48.4 434 434 A A H > S+ 0 0 40 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.897 109.6 42.4 -64.7 -38.9 12.3 71.1 45.3 435 435 A K H > S+ 0 0 57 2,-0.2 4,-1.7 -6,-0.2 -2,-0.2 0.912 113.4 52.7 -72.2 -42.6 15.1 68.6 44.5 436 436 A F H X S+ 0 0 1 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.919 109.4 49.3 -58.1 -46.9 15.4 67.5 48.1 437 437 A R H X S+ 0 0 70 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.865 106.6 53.8 -63.6 -38.7 11.7 66.9 48.4 438 438 A L H X S+ 0 0 3 -4,-1.5 4,-2.0 1,-0.2 -1,-0.2 0.884 109.5 50.1 -64.2 -35.8 11.4 64.7 45.3 439 439 A A H X S+ 0 0 0 -4,-1.7 4,-3.0 2,-0.2 -2,-0.2 0.906 111.0 48.1 -67.8 -42.6 14.2 62.6 46.7 440 440 A V H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.906 108.7 54.3 -64.8 -40.2 12.4 62.2 50.0 441 441 A L H X S+ 0 0 4 -4,-2.7 4,-0.6 1,-0.2 -1,-0.2 0.917 112.4 44.4 -59.5 -41.9 9.2 61.3 48.1 442 442 A F H >X S+ 0 0 0 -4,-2.0 4,-1.4 1,-0.2 3,-1.1 0.933 111.7 52.9 -66.6 -45.5 11.1 58.6 46.4 443 443 A Q H 3< S+ 0 0 0 -4,-3.0 -2,-0.2 1,-0.3 3,-0.2 0.876 110.2 48.4 -57.1 -40.7 12.8 57.4 49.6 444 444 A M H 3< S+ 0 0 1 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.539 118.7 37.8 -80.5 -8.1 9.4 57.1 51.3 445 445 A T H << S+ 0 0 2 -3,-1.1 -1,-0.2 -4,-0.6 -2,-0.2 0.425 97.4 95.8-120.0 -2.9 7.7 55.1 48.5 446 446 A Y S < S- 0 0 11 -4,-1.4 2,-0.4 -3,-0.2 -31,-0.1 -0.378 86.4 -83.4 -88.3 167.5 10.6 52.9 47.4 447 447 A L S S+ 0 0 21 -2,-0.1 2,-0.2 2,-0.1 -1,-0.1 -0.559 92.7 40.7 -72.0 120.9 11.5 49.3 48.4 448 448 A G S S- 0 0 3 -2,-0.4 -34,-0.2 -37,-0.4 -36,-0.2 -0.769 97.5 -52.5 133.3-179.5 13.4 49.2 51.6 449 449 A T E - q 0 414C 3 -36,-3.5 -34,-2.7 -2,-0.2 2,-0.2 -0.830 50.5-131.1 -98.4 117.4 13.5 50.9 55.0 450 450 A P E - q 0 415C 0 0, 0.0 -317,-2.7 0, 0.0 2,-0.5 -0.463 20.4-162.4 -67.6 133.4 13.6 54.7 55.0 451 451 A L E -kq 133 416C 2 -36,-1.7 -34,-0.5 -319,-0.2 2,-0.5 -0.981 2.1-157.7-120.4 120.4 16.4 56.1 57.3 452 452 A I E -k 134 0C 1 -319,-3.3 -317,-3.4 -2,-0.5 2,-0.6 -0.851 11.3-139.6 -99.7 127.4 16.1 59.7 58.3 453 453 A Y E > -k 135 0C 1 -2,-0.5 3,-2.5 -319,-0.2 4,-0.3 -0.771 42.2 -93.6 -87.4 124.0 19.2 61.6 59.4 454 454 A Y T 3 S+ 0 0 0 -319,-1.9 -1,-0.1 -2,-0.6 -318,-0.0 0.018 108.9 16.8 -39.8 128.5 18.4 63.8 62.3 455 455 A G T > >S+ 0 0 0 17,-0.1 5,-2.0 18,-0.0 3,-1.2 0.132 94.4 101.3 94.5 -22.1 17.5 67.3 61.3 456 456 A D G X 5S+ 0 0 1 -3,-2.5 3,-1.9 1,-0.2 -2,-0.1 0.895 75.9 61.1 -62.2 -38.0 16.9 66.6 57.6 457 457 A E G 3 5S+ 0 0 0 -4,-0.3 -1,-0.2 1,-0.3 30,-0.2 0.631 107.5 44.4 -64.4 -15.4 13.1 66.6 58.3 458 458 A I G < 5S- 0 0 2 -3,-1.2 22,-1.9 25,-0.1 -1,-0.3 0.092 124.2 -99.3-114.8 19.8 13.3 70.3 59.4 459 459 A G T < 5 + 0 0 22 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.817 58.3 169.1 70.3 36.6 15.6 71.4 56.5 460 460 A M < - 0 0 6 -5,-2.0 -34,-0.3 20,-0.1 2,-0.3 -0.458 14.4-160.9 -76.4 154.5 19.0 71.4 58.2 461 461 A A + 0 0 34 -35,-0.1 2,-0.2 -2,-0.1 9,-0.2 -0.793 18.1 147.7-128.9 171.4 22.0 71.8 55.9 462 462 A G - 0 0 1 -2,-0.3 -38,-2.2 -38,-0.2 -35,-0.2 -0.706 40.8-108.2 161.9 145.9 25.7 71.2 56.1 463 463 A A - 0 0 48 -40,-0.2 -39,-0.2 -2,-0.2 -41,-0.1 -0.194 65.8 -64.6 -75.2 177.1 28.9 70.2 54.4 464 464 A T S > S- 0 0 73 3,-0.2 3,-2.1 -41,-0.2 -1,-0.2 -0.018 92.9 -8.6 -60.4 171.8 30.4 66.8 55.1 465 465 A D T 3 S+ 0 0 44 1,-0.4 -1,-0.2 2,-0.2 -301,-0.1 -0.054 132.0 18.8 -41.2 134.5 31.7 65.7 58.6 466 466 A P T > S+ 0 0 23 0, 0.0 3,-1.5 0, 0.0 -1,-0.4 -0.984 125.4 54.7 -90.0 4.4 31.9 67.6 60.9 467 467 A D G X S+ 0 0 29 -3,-2.1 3,-0.6 1,-0.3 -2,-0.2 0.667 101.2 61.2 -70.5 -15.0 29.6 70.2 59.3 468 468 A C G 3 S+ 0 0 0 1,-0.2 -1,-0.3 -6,-0.2 -3,-0.1 0.529 94.8 67.6 -85.6 -4.7 26.8 67.6 58.9 469 469 A R G < + 0 0 35 -3,-1.5 -1,-0.2 -5,-0.2 -2,-0.1 -0.108 68.4 146.2-104.9 31.2 26.9 67.2 62.7 470 470 A R < - 0 0 37 -3,-0.6 2,-0.1 -9,-0.2 3,-0.1 -0.282 62.9 -84.1 -63.6 156.2 25.6 70.7 63.7 471 471 A P - 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