==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 28-JAN-08 3C3U . COMPND 2 MOLECULE: ALDO-KETO REDUCTASE FAMILY 1 MEMBER C1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR U.DHAGAT,O.EL-KABBANI . 320 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14554.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 213 66.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 37 11.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 3.1 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 . 2 0.6 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 . 20 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 27.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.5 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 0 0 0 1 2 2 0 1 0 3 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 2 2 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 . 3 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 . 1 0 0 0 0 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 4 A K 0 0 130 0, 0.0 2,-2.0 0, 0.0 15,-0.2 0.000 360.0 360.0 360.0 -62.9 19.0 6.3 38.3 2 5 A Y + 0 0 119 12,-0.1 2,-0.4 13,-0.1 41,-0.0 -0.574 360.0 151.4 -74.1 88.2 19.5 9.0 35.7 3 6 A Q - 0 0 123 -2,-2.0 12,-2.5 13,-0.0 13,-0.4 -0.981 19.9-178.8-111.2 134.4 22.3 7.4 33.7 4 7 A C E -A 14 0A 38 -2,-0.4 2,-0.4 10,-0.3 8,-0.0 -0.834 20.4-134.9-123.6 164.1 22.5 8.3 30.1 5 8 A V E -A 13 0A 47 8,-2.2 8,-2.2 -2,-0.3 2,-0.5 -0.959 25.2-116.2-115.4 142.8 24.6 7.5 27.0 6 9 A K E -A 12 0A 132 -2,-0.4 6,-0.2 6,-0.2 2,-0.1 -0.645 31.0-144.0 -71.2 121.4 25.9 10.0 24.5 7 10 A L > - 0 0 5 4,-3.3 3,-1.9 -2,-0.5 201,-0.1 -0.416 28.1-102.8 -78.6 163.6 24.5 9.4 21.1 8 11 A N T 3 S+ 0 0 42 199,-0.4 174,-0.1 1,-0.3 -1,-0.1 0.613 121.5 54.5 -66.4 -12.3 26.6 9.9 17.9 9 12 A D T 3 S- 0 0 43 2,-0.1 -1,-0.3 172,-0.1 3,-0.1 0.251 122.2-102.0-100.5 8.2 24.7 13.2 17.2 10 13 A G S < S+ 0 0 40 -3,-1.9 2,-0.1 1,-0.3 -2,-0.1 0.339 83.6 122.5 88.8 -9.3 25.5 14.7 20.6 11 14 A H - 0 0 69 147,-0.1 -4,-3.3 -5,-0.1 2,-0.4 -0.454 58.2-124.5 -76.8 159.5 22.1 14.1 22.2 12 15 A F E -A 6 0A 114 -6,-0.2 -6,-0.2 -2,-0.1 -1,-0.0 -0.904 17.8-162.3-111.1 136.3 21.8 12.0 25.4 13 16 A M E -A 5 0A 0 -8,-2.2 -8,-2.2 -2,-0.4 32,-0.1 -0.973 25.0-120.2-116.5 125.7 19.5 8.9 25.9 14 17 A P E -A 4 0A 7 0, 0.0 -10,-0.3 0, 0.0 -12,-0.1 -0.424 22.7-136.3 -62.9 140.8 18.5 7.5 29.3 15 18 A V S S+ 0 0 19 -12,-2.5 249,-2.6 248,-0.1 2,-0.4 0.658 87.9 61.0 -83.5 -17.1 19.8 4.0 29.5 16 19 A L E S-b 264 0B 9 -13,-0.4 29,-0.5 247,-0.2 28,-0.5 -0.945 73.0-171.1-108.6 135.3 16.6 2.6 31.0 17 20 A G E -bc 265 45B 0 247,-2.5 249,-2.1 -2,-0.4 2,-0.7 -0.954 22.8-126.4-133.7 142.0 13.4 2.9 28.9 18 21 A F E -bc 266 46B 1 27,-3.7 29,-2.9 -2,-0.4 2,-0.3 -0.780 21.6-146.4 -90.5 114.2 9.7 2.4 29.5 19 22 A G E -bc 267 47B 8 247,-1.2 249,-0.6 -2,-0.7 29,-0.1 -0.628 13.9-174.4 -76.0 137.2 8.1 0.2 26.9 20 23 A T + 0 0 0 27,-1.3 2,-0.2 -2,-0.3 -1,-0.1 0.398 42.0 114.9-119.0 -3.0 4.5 1.2 26.2 21 24 A Y + 0 0 53 26,-0.2 32,-0.1 27,-0.1 -2,-0.1 -0.518 37.7 178.1 -71.9 134.5 3.3 -1.5 23.9 22 25 A A - 0 0 19 30,-0.2 -2,-0.0 -2,-0.2 9,-0.0 -0.988 38.2 -89.8-130.8 150.5 0.5 -3.8 25.1 23 26 A P > - 0 0 25 0, 0.0 3,-2.9 0, 0.0 29,-0.0 -0.166 48.4-101.4 -52.4 150.1 -1.2 -6.7 23.3 24 27 A A T 3 S+ 0 0 93 1,-0.3 4,-0.1 4,-0.0 -2,-0.0 0.761 118.7 63.3 -52.0 -33.4 -4.3 -5.7 21.3 25 28 A E T 3 S+ 0 0 184 2,-0.1 -1,-0.3 0, 0.0 0, 0.0 0.623 80.0 96.2 -70.9 -13.8 -6.7 -6.9 24.1 26 29 A V S < S- 0 0 48 -3,-2.9 -4,-0.1 1,-0.1 5,-0.1 -0.683 84.7-114.8 -78.5 122.5 -5.4 -4.4 26.6 27 30 A P > - 0 0 77 0, 0.0 3,-1.2 0, 0.0 4,-0.5 -0.224 17.4-121.3 -57.3 145.7 -7.6 -1.3 26.7 28 31 A K T >> S+ 0 0 120 1,-0.2 3,-1.6 2,-0.2 4,-0.9 0.847 107.8 68.7 -54.5 -39.9 -6.1 2.1 25.6 29 32 A S H 3> S+ 0 0 75 1,-0.3 4,-1.7 2,-0.2 3,-0.5 0.807 89.0 64.9 -50.6 -36.2 -6.8 3.7 29.0 30 33 A K H <> S+ 0 0 114 -3,-1.2 4,-2.6 1,-0.2 -1,-0.3 0.808 94.2 58.6 -60.2 -33.3 -4.1 1.4 30.6 31 34 A A H <> S+ 0 0 2 -3,-1.6 4,-2.0 -4,-0.5 -1,-0.2 0.875 105.3 51.7 -62.4 -38.4 -1.3 3.1 28.5 32 35 A L H X S+ 0 0 47 -4,-0.9 4,-2.0 -3,-0.5 -2,-0.2 0.960 114.2 40.0 -62.2 -55.1 -2.3 6.4 30.1 33 36 A E H X S+ 0 0 89 -4,-1.7 4,-2.7 1,-0.2 -2,-0.2 0.935 116.1 50.2 -62.8 -46.3 -2.1 5.2 33.7 34 37 A A H X S+ 0 0 2 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.879 109.6 51.0 -60.8 -40.7 1.0 3.0 33.2 35 38 A T H X S+ 0 0 0 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.916 111.2 47.6 -67.6 -43.1 3.0 5.8 31.6 36 39 A K H X S+ 0 0 49 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.946 112.6 49.6 -57.5 -50.9 2.1 8.3 34.4 37 40 A L H X S+ 0 0 25 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.892 109.0 53.9 -52.2 -43.0 3.1 5.6 37.0 38 41 A A H X>S+ 0 0 0 -4,-2.5 5,-2.6 2,-0.2 4,-0.9 0.909 109.6 45.4 -63.6 -44.6 6.3 5.1 35.1 39 42 A I H ><5S+ 0 0 2 -4,-2.1 3,-0.5 3,-0.2 -1,-0.2 0.888 112.4 51.8 -65.8 -40.4 7.3 8.7 35.2 40 43 A E H 3<5S+ 0 0 104 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.935 108.1 52.9 -60.6 -44.4 6.4 8.9 38.9 41 44 A A H 3<5S- 0 0 12 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.684 130.5 -93.3 -62.2 -23.0 8.6 5.8 39.5 42 45 A G T <<5S+ 0 0 10 -4,-0.9 -3,-0.2 -3,-0.5 2,-0.2 0.359 74.6 143.2 123.3 -4.5 11.6 7.5 37.8 43 46 A F < + 0 0 3 -5,-2.6 -1,-0.3 -6,-0.2 -26,-0.1 -0.493 14.0 168.8 -65.3 139.0 11.5 6.4 34.1 44 47 A R + 0 0 54 -28,-0.5 33,-3.8 -2,-0.2 2,-0.6 0.413 59.0 74.3-128.1 -12.1 12.6 9.3 31.7 45 48 A H E -cd 17 77B 1 -29,-0.5 -27,-3.7 31,-0.2 2,-0.5 -0.945 63.4-173.1-107.4 123.5 12.9 7.4 28.5 46 49 A I E -cd 18 78B 0 31,-3.3 33,-3.0 -2,-0.6 2,-0.6 -0.980 7.3-157.7-123.6 123.6 9.5 6.4 27.0 47 50 A D E +cd 19 79B 4 -29,-2.9 -27,-1.3 -2,-0.5 2,-0.2 -0.896 27.8 140.6-109.2 118.8 9.3 4.2 23.9 48 51 A S - 0 0 0 31,-1.9 2,-0.3 -2,-0.6 3,-0.1 -0.670 24.4-160.6-137.9-166.6 6.2 4.2 21.6 49 52 A A > > - 0 0 0 31,-0.2 3,-0.8 -2,-0.2 5,-0.5 -0.956 38.0-107.3-174.1 153.6 5.3 4.0 17.9 50 53 A H G > 5S+ 0 0 34 31,-1.6 3,-1.9 -2,-0.3 5,-0.2 0.936 118.0 62.9 -57.8 -41.9 2.5 4.8 15.5 51 54 A L G 3 5S+ 0 0 49 30,-0.3 -1,-0.2 1,-0.3 74,-0.1 0.776 91.3 66.6 -48.5 -35.4 1.9 1.0 15.3 52 55 A Y G < 5S- 0 0 40 -3,-0.8 -1,-0.3 1,-0.1 -30,-0.2 0.572 90.9-142.2 -72.5 -13.3 1.0 0.8 19.1 53 56 A N T < 5S+ 0 0 123 -3,-1.9 -3,-0.1 -4,-0.3 -2,-0.1 0.882 77.1 96.8 51.6 42.6 -2.2 2.9 18.8 54 57 A N >< + 0 0 7 -5,-0.5 4,-2.9 -4,-0.1 5,-0.3 0.315 35.8 109.3-137.9 6.1 -1.4 4.6 22.1 55 58 A E H > S+ 0 0 7 -6,-0.3 4,-2.3 1,-0.2 5,-0.2 0.860 80.2 54.6 -61.7 -33.7 0.3 7.9 21.2 56 59 A E H > S+ 0 0 109 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.938 115.2 40.6 -58.1 -46.1 -2.8 9.9 22.3 57 60 A Q H > S+ 0 0 19 -3,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.919 116.2 46.9 -70.6 -45.6 -2.6 8.2 25.7 58 61 A V H X S+ 0 0 0 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.903 114.2 49.6 -64.4 -42.1 1.2 8.2 26.2 59 62 A G H X S+ 0 0 0 -4,-2.3 4,-2.7 -5,-0.3 5,-0.2 0.912 109.6 51.2 -60.4 -47.4 1.3 11.9 25.1 60 63 A L H X S+ 0 0 68 -4,-2.1 4,-2.5 -5,-0.2 -2,-0.2 0.942 111.3 48.8 -54.0 -52.6 -1.5 12.7 27.6 61 64 A A H X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.914 113.1 46.1 -50.3 -53.0 0.5 11.0 30.4 62 65 A I H X S+ 0 0 0 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.925 114.7 46.3 -61.7 -46.0 3.7 12.8 29.5 63 66 A R H X S+ 0 0 64 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.859 108.2 56.9 -71.3 -31.9 2.1 16.3 29.2 64 67 A S H X S+ 0 0 48 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.900 107.5 48.6 -58.4 -45.8 0.2 15.7 32.5 65 68 A K H <>S+ 0 0 14 -4,-1.8 6,-1.5 2,-0.2 5,-1.3 0.769 112.5 48.1 -69.0 -28.4 3.5 15.1 34.3 66 69 A I H ><5S+ 0 0 51 -4,-1.5 3,-1.1 4,-0.2 -2,-0.2 0.870 110.4 52.2 -73.8 -41.6 4.9 18.3 32.8 67 70 A A H 3<5S+ 0 0 89 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.925 108.9 49.5 -59.3 -46.3 1.8 20.3 33.8 68 71 A D T 3<5S- 0 0 86 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.403 116.4-113.1 -80.4 5.8 2.0 19.1 37.4 69 72 A G T < 5S+ 0 0 63 -3,-1.1 -3,-0.2 2,-0.3 -2,-0.1 0.512 82.1 121.8 79.7 6.7 5.7 20.1 37.7 70 73 A S S > - 0 0 144 -2,-0.3 3,-1.8 -3,-0.1 4,-0.5 -0.749 34.9-110.4-102.4 156.9 10.2 19.3 32.3 73 76 A R G >4 S+ 0 0 29 -2,-0.3 3,-1.5 1,-0.3 -1,-0.1 0.893 121.0 57.7 -53.4 -41.8 9.9 18.4 28.6 74 77 A E G 34 S+ 0 0 148 1,-0.3 -1,-0.3 3,-0.1 -3,-0.0 0.641 99.9 60.5 -62.7 -17.4 13.7 18.4 28.3 75 78 A D G <4 S+ 0 0 57 -3,-1.8 2,-0.4 2,-0.0 -1,-0.3 0.579 94.0 76.5 -81.9 -19.0 13.8 15.7 31.1 76 79 A I << - 0 0 2 -3,-1.5 2,-0.6 -4,-0.5 -31,-0.2 -0.833 63.7-158.7 -99.9 133.2 11.7 13.3 29.0 77 80 A F E -d 45 0B 10 -33,-3.8 -31,-3.3 -2,-0.4 2,-0.6 -0.945 19.7-173.2-111.3 105.6 13.2 11.2 26.2 78 81 A Y E -d 46 0B 0 -2,-0.6 32,-1.8 -33,-0.2 31,-1.7 -0.899 5.6-163.1-108.6 125.1 10.3 10.2 23.9 79 82 A T E +de 47 110B 0 -33,-3.0 -31,-1.9 -2,-0.6 2,-0.3 -0.861 8.8 178.0-105.7 135.1 10.7 7.8 21.0 80 83 A S E - e 0 111B 0 30,-3.0 32,-1.7 -2,-0.4 2,-0.4 -0.793 15.5-140.6-119.0 175.9 8.3 7.3 18.1 81 84 A K E - e 0 112B 0 -2,-0.3 -31,-1.6 30,-0.2 2,-0.6 -1.000 12.7-126.5-142.0 140.4 8.6 5.0 15.0 82 85 A L E - e 0 113B 0 30,-3.3 32,-2.2 -2,-0.4 33,-0.4 -0.723 34.8-134.5 -80.9 119.6 7.7 5.3 11.4 83 86 A W > - 0 0 11 -2,-0.6 3,-2.1 30,-0.1 36,-0.1 -0.297 21.6-104.4 -79.1 160.3 5.5 2.4 10.4 84 87 A C G > S+ 0 0 0 1,-0.3 35,-2.2 2,-0.2 3,-0.8 0.640 115.1 65.3 -57.4 -22.2 5.9 0.2 7.2 85 88 A N G 3 S+ 0 0 8 1,-0.2 37,-0.3 33,-0.2 -1,-0.3 0.462 103.3 48.6 -81.0 -4.0 2.9 1.9 5.4 86 89 A S G < + 0 0 21 -3,-2.1 -1,-0.2 35,-0.1 -2,-0.2 0.072 69.7 114.1-125.4 27.0 4.8 5.3 5.3 87 90 A H < + 0 0 2 -3,-0.8 5,-0.1 32,-0.3 -2,-0.1 0.833 48.4 103.9 -64.0 -34.0 8.2 4.2 4.0 88 91 A R S >> S- 0 0 93 1,-0.1 3,-2.2 -3,-0.1 4,-0.8 -0.302 83.3-122.2 -52.0 130.6 7.7 6.3 0.8 89 92 A P H >> S+ 0 0 52 0, 0.0 3,-1.0 0, 0.0 4,-0.6 0.839 110.7 52.2 -44.2 -46.8 9.8 9.5 1.1 90 93 A E H 34 S+ 0 0 123 1,-0.2 -2,-0.1 2,-0.1 -3,-0.1 0.640 109.1 51.3 -69.0 -17.8 6.8 11.8 0.6 91 94 A L H <> S+ 0 0 50 -3,-2.2 4,-1.8 2,-0.1 -1,-0.2 0.537 90.3 81.6 -92.9 -13.6 4.8 10.0 3.5 92 95 A V H S+ 0 0 67 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.883 108.5 50.6 -56.0 -36.7 3.3 13.5 7.3 95 98 A A H X S+ 0 0 15 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.922 112.6 44.8 -64.8 -47.2 3.6 10.3 9.5 96 99 A L H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.922 112.5 52.0 -62.3 -43.6 5.8 12.0 12.0 97 100 A E H X S+ 0 0 85 -4,-3.2 4,-2.6 1,-0.2 -2,-0.2 0.895 108.6 51.5 -61.7 -37.4 3.5 15.1 11.9 98 101 A R H X S+ 0 0 97 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.909 109.4 48.9 -65.5 -45.4 0.5 12.7 12.6 99 102 A S H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.947 112.1 50.2 -56.0 -46.7 2.3 11.1 15.6 100 103 A L H X>S+ 0 0 11 -4,-2.7 4,-1.7 2,-0.2 5,-1.4 0.913 108.9 50.9 -59.3 -45.9 3.1 14.7 16.9 101 104 A K H <5S+ 0 0 165 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.942 112.1 47.5 -52.5 -49.3 -0.6 15.7 16.5 102 105 A N H <5S+ 0 0 59 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.894 117.7 41.1 -59.7 -44.0 -1.7 12.6 18.5 103 106 A L H <5S- 0 0 0 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.710 99.3-136.7 -74.4 -23.5 0.9 13.3 21.2 104 107 A Q T <5 + 0 0 132 -4,-1.7 2,-0.3 1,-0.3 -3,-0.2 0.855 62.1 130.8 54.1 39.7 0.3 17.1 21.2 105 108 A L < - 0 0 15 -5,-1.4 -1,-0.3 -6,-0.2 -2,-0.1 -0.843 61.7-139.0-114.3 156.3 4.0 17.5 21.4 106 109 A D S S+ 0 0 145 -2,-0.3 2,-0.3 1,-0.2 -6,-0.1 0.706 82.6 6.1 -89.2 -21.6 6.2 19.7 19.2 107 110 A Y - 0 0 39 -7,-0.1 2,-0.4 50,-0.0 -1,-0.2 -0.983 62.2-131.2-152.3 154.9 9.0 17.2 18.7 108 111 A V E - f 0 157B 0 48,-2.1 50,-2.5 -2,-0.3 51,-0.2 -0.871 18.2-138.0 -98.7 149.0 10.1 13.6 19.5 109 112 A D E S+ 0 0 18 -31,-1.7 50,-1.7 -2,-0.4 2,-0.4 0.858 90.2 16.9 -69.5 -29.4 13.5 12.9 21.0 110 113 A L E -ef 79 159B 2 -32,-1.8 -30,-3.0 48,-0.2 2,-0.4 -0.997 61.6-167.2-150.3 132.2 14.0 10.0 18.6 111 114 A Y E -ef 80 160B 1 48,-1.7 50,-2.5 -2,-0.4 2,-0.4 -0.994 16.7-168.7-124.0 126.1 12.3 8.8 15.4 112 115 A L E -ef 81 161B 0 -32,-1.7 -30,-3.3 -2,-0.4 2,-0.8 -0.907 32.7-121.9-116.1 140.5 12.9 5.3 14.1 113 116 A I E -ef 82 162B 0 48,-1.7 50,-1.3 -2,-0.4 -30,-0.1 -0.741 36.4-150.8 -68.4 114.2 12.3 3.4 11.0 114 117 A H - 0 0 15 -32,-2.2 -1,-0.2 -2,-0.8 -31,-0.1 0.865 65.3 -8.0 -65.5 -36.6 10.2 0.6 12.8 115 118 A F - 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0 0 6 -2,-0.4 4,-2.4 -3,-0.1 5,-0.2 -0.417 35.9 -91.3 -92.4 177.4 20.5 -6.4 10.3 167 170 A R H > S+ 0 0 87 153,-2.2 4,-2.6 1,-0.2 5,-0.2 0.927 125.7 52.7 -54.3 -48.7 24.2 -5.8 9.6 168 171 A R H > S+ 0 0 88 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.899 110.7 47.5 -55.0 -43.5 23.7 -5.6 5.8 169 172 A Q H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.881 109.9 51.4 -71.3 -38.1 20.9 -3.0 6.2 170 173 A L H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.947 110.0 51.2 -58.1 -46.7 23.0 -0.8 8.6 171 174 A E H X S+ 0 0 62 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.889 104.5 57.5 -59.4 -40.7 25.8 -0.9 6.0 172 175 A M H < S+ 0 0 67 -4,-2.0 4,-0.3 2,-0.2 -1,-0.2 0.907 113.8 38.1 -55.3 -49.1 23.4 0.2 3.3 173 176 A I H >< S+ 0 0 0 -4,-1.7 3,-1.3 2,-0.2 -2,-0.2 0.943 116.7 50.8 -66.2 -47.9 22.5 3.3 5.3 174 177 A L H 3< S+ 0 0 26 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.818 115.7 42.3 -62.8 -33.9 26.1 4.0 6.6 175 178 A N T 3< S+ 0 0 125 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.372 84.1 129.6 -95.7 0.7 27.6 3.7 3.1 176 179 A K X - 0 0 17 -3,-1.3 3,-1.7 -4,-0.3 -3,-0.1 -0.369 67.9-107.3 -58.7 125.5 24.8 5.7 1.3 177 180 A P T 3 S+ 0 0 119 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.332 103.3 13.2 -48.8 130.8 26.2 8.5 -1.0 178 181 A G T 3 S+ 0 0 67 1,-0.2 -2,-0.1 -3,-0.1 -3,-0.0 0.654 83.7 179.2 71.3 19.8 25.6 11.9 0.7 179 182 A L < - 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0 0 59 -5,-3.0 -1,-0.2 -6,-0.3 -2,-0.1 -0.618 68.4 -97.4-120.8-172.3 16.4 -9.0 43.3 248 251 A T > - 0 0 38 -2,-0.2 4,-2.4 -3,-0.1 5,-0.2 -0.685 28.4-111.3-107.7 160.5 14.1 -10.5 40.7 249 252 A P H > S+ 0 0 31 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.876 120.8 54.9 -54.1 -40.5 14.8 -12.4 37.5 250 253 A A H > S+ 0 0 10 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.950 107.5 48.2 -55.9 -52.4 13.5 -9.4 35.6 251 254 A L H > S+ 0 0 2 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.861 110.0 52.8 -59.9 -38.3 16.0 -7.1 37.4 252 255 A I H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.944 109.6 48.5 -60.2 -44.9 18.8 -9.5 36.6 253 256 A A H X S+ 0 0 0 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.881 114.0 47.0 -64.6 -38.0 17.9 -9.5 32.9 254 257 A L H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 3,-0.3 0.945 111.2 49.4 -67.8 -49.9 17.8 -5.7 32.9 255 258 A R H X S+ 0 0 36 -4,-2.7 4,-2.3 1,-0.2 5,-0.2 0.873 103.8 62.1 -59.0 -43.0 21.1 -5.2 34.8 256 259 A Y H X S+ 0 0 0 -4,-2.5 4,-0.8 1,-0.2 -1,-0.2 0.920 105.4 46.0 -44.4 -52.6 22.8 -7.7 32.3 257 260 A Q H ><>S+ 0 0 0 -4,-1.2 5,-2.4 -3,-0.3 3,-0.9 0.931 109.9 53.3 -61.7 -46.0 22.0 -5.3 29.4 258 261 A L H ><5S+ 0 0 31 -4,-1.8 3,-1.2 1,-0.2 -1,-0.2 0.904 108.9 49.2 -55.7 -43.2 23.2 -2.2 31.2 259 262 A Q H 3<5S+ 0 0 64 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.612 108.6 53.5 -79.1 -12.4 26.6 -3.8 32.1 260 263 A R T <<5S- 0 0 28 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.291 122.9 -99.9-102.2 9.5 27.2 -4.9 28.5 261 264 A G T < 5S+ 0 0 58 -3,-1.2 -51,-0.5 -4,-0.3 2,-0.4 0.791 78.9 134.2 81.7 30.6 26.7 -1.4 27.0 262 265 A V < - 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0 0 21 -3,-2.1 3,-0.7 1,-0.2 4,-0.3 -0.433 52.9-155.3 -55.3 117.0 13.1 -9.3 5.7 315 318 A P T 3 S+ 0 0 1 0, 0.0 3,-0.4 0, 0.0 -1,-0.2 0.675 72.9 64.3 -79.6 -16.6 15.9 -8.8 8.3 316 319 A F T 3 S+ 0 0 32 -12,-0.2 -2,-0.1 1,-0.2 -10,-0.0 0.326 79.1 78.1-100.8 9.9 16.1 -12.1 10.2 317 320 A S S < S+ 0 0 98 -3,-0.7 -1,-0.2 3,-0.0 2,-0.0 0.813 81.2 81.5 -77.9 -35.3 17.2 -14.5 7.4 318 321 A D S S- 0 0 59 -3,-0.4 -151,-0.0 -4,-0.3 0, 0.0 -0.345 96.5-112.3 -66.8 153.1 20.9 -13.2 7.6 319 322 A E 0 0 150 1,-0.1 -1,-0.1 -2,-0.0 -121,-0.1 0.920 360.0 360.0 -52.0 -49.0 23.1 -14.6 10.4 320 323 A Y 0 0 56 -122,-0.1 -153,-2.2 -121,-0.0 -1,-0.1 0.181 360.0 360.0-156.5 360.0 23.0 -11.1 11.9