==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 29-FEB-12 4DZ5 . COMPND 2 MOLECULE: ALDO-KETO REDUCTASE FAMILY 1 MEMBER C3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.J.SQUIRE,Y.YOSAATMADJA,J.U.FLANAGAN . 305 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13205.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 211 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 11.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 2.6 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 28.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.6 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 0 0 1 2 1 1 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 1 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 . 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 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 0 150 0, 0.0 3,-2.2 0, 0.0 12,-0.1 0.000 360.0 360.0 360.0 145.4 27.1 -4.8 -7.3 2 5 A H T 3 - 0 0 156 1,-0.3 3,-0.1 12,-0.1 0, 0.0 -0.106 360.0 -12.4 -54.5 120.8 25.6 -3.6 -3.9 3 6 A Q T 3 S+ 0 0 83 1,-0.2 12,-2.5 11,-0.1 13,-0.4 0.738 115.5 104.2 57.6 29.8 22.0 -4.6 -3.4 4 7 A C E < -A 14 0A 27 -3,-2.2 2,-0.3 10,-0.3 -1,-0.2 -0.869 63.0-134.7-126.2 163.6 21.6 -5.6 -7.0 5 8 A V E -A 13 0A 49 8,-2.6 8,-2.7 -2,-0.3 2,-0.5 -0.921 28.1-115.5-111.4 144.9 21.4 -8.9 -8.9 6 9 A K E -A 12 0A 106 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.705 30.8-139.8 -82.7 122.5 23.4 -9.5 -12.2 7 10 A L > - 0 0 5 4,-3.3 3,-2.2 -2,-0.5 189,-0.1 -0.387 25.3-105.4 -75.1 162.9 21.0 -10.0 -15.1 8 11 A N T 3 S+ 0 0 41 187,-0.4 162,-0.1 1,-0.3 -1,-0.1 0.570 121.0 55.2 -74.5 -2.6 21.7 -12.7 -17.7 9 12 A D T 3 S- 0 0 41 2,-0.2 -1,-0.3 160,-0.1 3,-0.1 0.258 123.3-102.3-108.0 13.0 22.7 -9.9 -20.2 10 13 A G S < S+ 0 0 34 -3,-2.2 -2,-0.1 1,-0.3 2,-0.1 0.247 83.6 120.1 93.4 -16.2 25.3 -8.5 -17.8 11 14 A H - 0 0 70 135,-0.1 -4,-3.3 -5,-0.1 2,-0.4 -0.394 60.3-120.8 -81.1 159.9 23.4 -5.4 -16.5 12 15 A F E -A 6 0A 78 -6,-0.2 -6,-0.2 -3,-0.1 -1,-0.0 -0.919 18.4-161.5-109.0 137.8 22.5 -5.0 -12.8 13 16 A M E -A 5 0A 0 -8,-2.7 -8,-2.6 -2,-0.4 32,-0.1 -0.957 24.0-122.7-116.6 121.2 19.1 -4.8 -11.3 14 17 A P E -A 4 0A 18 0, 0.0 -10,-0.3 0, 0.0 -11,-0.1 -0.369 20.7-133.9 -63.2 136.5 18.5 -3.3 -7.7 15 18 A V S S+ 0 0 27 -12,-2.5 237,-2.6 236,-0.1 2,-0.4 0.620 90.1 55.2 -77.1 -11.3 16.7 -6.0 -5.6 16 19 A L E S-b 252 0B 8 -13,-0.4 28,-0.6 235,-0.2 29,-0.5 -0.986 72.3-176.0-119.2 126.8 14.2 -3.5 -4.1 17 20 A G E -b 253 0B 0 235,-2.7 237,-1.9 -2,-0.4 2,-0.5 -0.890 25.1-120.3-126.2 156.4 12.1 -1.5 -6.6 18 21 A F E -bc 254 46B 1 27,-3.1 29,-2.9 -2,-0.4 2,-0.5 -0.770 21.6-140.0 -96.1 123.6 9.5 1.2 -6.2 19 22 A G E -bc 255 47B 9 235,-2.3 237,-0.6 -2,-0.5 29,-0.1 -0.705 17.2-174.8 -86.6 125.3 6.1 0.6 -7.6 20 23 A T + 0 0 0 27,-1.7 2,-0.3 -2,-0.5 -1,-0.1 0.491 38.7 119.2-100.4 -3.0 4.6 3.7 -9.2 21 24 A Y + 0 0 45 26,-0.2 32,-0.1 27,-0.1 -2,-0.0 -0.519 31.5 170.5 -72.3 127.5 1.1 2.7 -10.1 22 25 A A - 0 0 2 30,-0.3 9,-0.0 -2,-0.3 -2,-0.0 -0.989 39.4-101.3-124.9 145.8 -1.7 4.7 -8.5 23 26 A P > - 0 0 16 0, 0.0 3,-2.3 0, 0.0 29,-0.0 -0.132 40.7 -99.5 -59.7 162.6 -5.4 4.4 -9.5 24 27 A P T 3 S+ 0 0 88 0, 0.0 4,-0.1 0, 0.0 28,-0.0 0.779 117.6 67.9 -56.6 -28.6 -6.9 7.2 -11.8 25 28 A E T 3 S+ 0 0 151 2,-0.1 3,-0.0 3,-0.0 0, 0.0 0.702 80.7 88.2 -74.6 -9.1 -8.5 9.0 -8.9 26 29 A V S < S- 0 0 38 -3,-2.3 -4,-0.1 1,-0.1 5,-0.1 -0.729 93.7-108.9 -86.4 127.5 -5.0 10.0 -7.6 27 30 A P > - 0 0 82 0, 0.0 3,-1.7 0, 0.0 4,-0.4 -0.168 23.8-121.3 -56.3 144.1 -4.0 13.3 -9.2 28 31 A R T > S+ 0 0 69 1,-0.3 3,-1.3 2,-0.2 4,-0.5 0.823 107.5 66.1 -62.0 -31.7 -1.2 12.9 -11.7 29 32 A S T >> S+ 0 0 73 1,-0.2 4,-1.5 2,-0.2 3,-0.7 0.683 85.2 75.4 -63.2 -20.0 1.2 15.2 -9.9 30 33 A K H <> S+ 0 0 32 -3,-1.7 4,-2.7 1,-0.3 5,-0.3 0.861 87.1 59.8 -63.5 -32.3 1.3 12.8 -6.9 31 34 A A H <> S+ 0 0 2 -3,-1.3 4,-1.9 -4,-0.4 -1,-0.3 0.852 102.9 53.1 -66.1 -32.0 3.6 10.4 -8.9 32 35 A L H <> S+ 0 0 36 -3,-0.7 4,-2.1 -4,-0.5 5,-0.2 0.951 112.2 44.1 -60.2 -53.6 6.2 13.2 -9.1 33 36 A E H X S+ 0 0 113 -4,-1.5 4,-2.3 1,-0.2 -2,-0.2 0.949 117.4 43.1 -61.1 -45.7 6.2 13.8 -5.4 34 37 A V H X S+ 0 0 6 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.855 110.5 53.8 -75.3 -28.3 6.3 10.2 -4.3 35 38 A T H X S+ 0 0 0 -4,-1.9 4,-2.7 -5,-0.3 -1,-0.2 0.920 110.4 49.1 -73.6 -38.8 9.0 9.1 -6.9 36 39 A K H X S+ 0 0 61 -4,-2.1 4,-2.7 -5,-0.2 -2,-0.2 0.935 112.7 47.9 -60.7 -45.9 11.2 11.9 -5.6 37 40 A L H X S+ 0 0 25 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.918 109.9 52.5 -63.6 -37.4 10.5 10.7 -2.0 38 41 A A H X>S+ 0 0 0 -4,-2.7 5,-2.6 2,-0.2 4,-1.1 0.946 111.3 46.2 -63.7 -43.6 11.3 7.1 -3.0 39 42 A I H ><5S+ 0 0 2 -4,-2.7 3,-0.7 1,-0.2 -2,-0.2 0.921 112.6 50.8 -64.1 -42.1 14.7 8.2 -4.5 40 43 A E H 3<5S+ 0 0 113 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.879 107.5 53.4 -61.7 -34.1 15.4 10.2 -1.4 41 44 A A H 3<5S- 0 0 26 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.698 129.8 -94.8 -75.1 -19.6 14.6 7.2 0.8 42 45 A G T <<5S+ 0 0 35 -4,-1.1 -3,-0.2 -3,-0.7 2,-0.1 0.353 74.1 144.0 119.3 -0.5 17.1 5.1 -1.2 43 46 A F < + 0 0 3 -5,-2.6 -1,-0.3 -6,-0.2 -26,-0.1 -0.453 16.2 172.6 -64.1 141.1 15.1 3.3 -3.9 44 47 A R + 0 0 81 -28,-0.6 33,-3.2 -2,-0.1 2,-0.4 0.296 60.3 70.3-130.0 0.8 17.2 3.0 -7.1 45 48 A H E - d 0 77B 1 -29,-0.5 -27,-3.1 31,-0.2 2,-0.4 -0.996 63.6-172.3-119.8 132.1 14.8 0.8 -9.2 46 49 A I E -cd 18 78B 0 31,-3.0 33,-2.5 -2,-0.4 2,-0.6 -0.992 8.9-153.3-129.8 124.3 11.6 2.5 -10.3 47 50 A D E +cd 19 79B 4 -29,-2.9 -27,-1.7 -2,-0.4 -26,-0.2 -0.862 28.2 146.5-108.3 117.1 8.9 0.5 -12.0 48 51 A S - 0 0 0 31,-2.6 2,-0.3 -2,-0.6 3,-0.1 -0.577 20.5-165.4-127.8-161.3 6.4 2.2 -14.4 49 52 A A > > - 0 0 0 31,-0.2 3,-1.1 -2,-0.2 5,-0.5 -0.934 39.9-105.3 179.0 148.6 4.5 1.3 -17.6 50 53 A H G > 5S+ 0 0 61 31,-1.6 3,-1.7 -2,-0.3 5,-0.2 0.923 119.0 61.9 -50.0 -42.1 2.5 2.9 -20.5 51 54 A L G 3 5S+ 0 0 74 1,-0.3 -1,-0.2 30,-0.2 31,-0.0 0.775 91.1 65.5 -59.6 -28.8 -0.6 1.6 -18.7 52 55 A Y G < 5S- 0 0 25 -3,-1.1 -30,-0.3 1,-0.1 -1,-0.3 0.603 89.9-142.5 -77.2 -11.5 0.1 3.7 -15.6 53 56 A N T < 5S+ 0 0 108 -3,-1.7 -3,-0.1 -4,-0.4 -2,-0.1 0.896 78.0 94.1 55.8 45.2 -0.4 7.0 -17.3 54 57 A N >< + 0 0 4 -5,-0.5 4,-2.8 -4,-0.1 3,-0.3 0.315 36.8 110.4-146.7 7.6 2.4 8.4 -15.2 55 58 A E H > S+ 0 0 1 1,-0.3 4,-2.8 -6,-0.2 5,-0.2 0.843 80.3 54.3 -65.6 -34.3 5.6 8.1 -17.2 56 59 A E H > S+ 0 0 67 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.905 114.7 40.2 -63.6 -40.4 5.9 11.9 -17.7 57 60 A Q H > S+ 0 0 51 -3,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.900 116.8 48.7 -74.9 -38.0 5.7 12.5 -13.9 58 61 A V H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.914 113.4 48.3 -65.6 -42.3 7.9 9.5 -12.9 59 62 A G H X S+ 0 0 0 -4,-2.8 4,-2.7 -5,-0.3 5,-0.2 0.904 109.7 51.9 -66.8 -40.7 10.5 10.7 -15.5 60 63 A L H X S+ 0 0 65 -4,-1.9 4,-2.5 -5,-0.2 -1,-0.2 0.895 107.5 53.0 -62.2 -38.8 10.4 14.2 -14.2 61 64 A A H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.937 111.3 46.0 -60.7 -44.8 11.0 12.9 -10.7 62 65 A I H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.947 113.6 48.6 -61.7 -48.0 14.1 11.0 -11.9 63 66 A R H X S+ 0 0 84 -4,-2.7 4,-3.2 1,-0.2 -1,-0.2 0.884 110.5 52.5 -62.8 -29.9 15.4 14.0 -13.9 64 67 A S H X S+ 0 0 38 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.880 108.1 47.8 -74.0 -39.0 14.8 16.2 -10.9 65 68 A K H <>S+ 0 0 8 -4,-2.0 6,-1.6 2,-0.2 5,-1.3 0.742 114.9 49.1 -75.0 -25.2 16.9 14.0 -8.5 66 69 A I H ><5S+ 0 0 55 -4,-1.9 3,-1.6 -5,-0.2 -2,-0.2 0.941 111.1 49.5 -74.1 -45.3 19.5 14.0 -11.2 67 70 A A H 3<5S+ 0 0 87 -4,-3.2 -2,-0.2 1,-0.3 -3,-0.2 0.805 109.6 49.5 -62.0 -36.6 19.4 17.8 -11.6 68 71 A D T 3<5S- 0 0 87 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.1 0.428 117.3-111.9 -85.7 0.2 19.7 18.5 -7.9 69 72 A G T < 5S+ 0 0 62 -3,-1.6 -3,-0.2 2,-0.3 -2,-0.1 0.466 83.0 119.9 89.2 4.8 22.8 16.1 -7.6 70 73 A S S - 0 0 76 -2,-0.3 3,-1.8 1,-0.1 4,-0.5 -0.800 37.9-107.9-105.4 159.4 23.2 10.2 -11.8 73 76 A R G > S+ 0 0 32 -2,-0.3 3,-1.4 1,-0.3 -1,-0.1 0.868 120.5 58.3 -50.6 -40.3 21.2 8.5 -14.5 74 77 A E G 3 S+ 0 0 118 1,-0.2 -1,-0.3 3,-0.1 -3,-0.0 0.619 97.7 61.8 -70.0 -10.0 23.4 5.4 -14.3 75 78 A D G < S+ 0 0 73 -3,-1.8 2,-0.4 2,-0.0 -1,-0.2 0.584 95.1 75.4 -84.7 -14.7 22.5 5.1 -10.6 76 79 A I < - 0 0 2 -3,-1.4 2,-0.7 -4,-0.5 -31,-0.2 -0.856 64.5-155.8-106.4 135.7 18.7 4.6 -11.4 77 80 A F E -d 45 0B 7 -33,-3.2 -31,-3.0 -2,-0.4 2,-0.5 -0.926 20.2-172.1-109.0 107.9 17.2 1.5 -12.9 78 81 A Y E -d 46 0B 1 -2,-0.7 32,-1.7 -33,-0.2 31,-1.6 -0.878 3.3-167.7-107.7 128.1 14.0 2.5 -14.7 79 82 A T E +de 47 110B 0 -33,-2.5 -31,-2.6 -2,-0.5 2,-0.3 -0.895 9.2 172.9-114.0 135.5 11.5 -0.0 -16.1 80 83 A S E - e 0 111B 0 30,-2.2 32,-1.7 -2,-0.4 2,-0.3 -0.805 19.1-138.0-127.1 178.4 8.7 0.6 -18.5 81 84 A K E - e 0 112B 0 -2,-0.3 -31,-1.6 30,-0.2 2,-0.6 -0.993 14.3-119.5-145.6 142.7 6.4 -1.9 -20.2 82 85 A L E - e 0 113B 0 30,-3.3 32,-2.2 -2,-0.3 33,-0.4 -0.723 37.9-130.0 -79.3 117.9 4.8 -2.5 -23.6 83 86 A W > - 0 0 54 -2,-0.6 3,-2.1 30,-0.1 36,-0.1 -0.350 21.5-107.3 -72.3 161.3 1.1 -2.5 -23.2 84 87 A S G > S+ 0 0 1 1,-0.3 35,-2.6 2,-0.2 3,-0.6 0.569 113.3 64.9 -74.6 -11.6 -1.0 -5.3 -24.8 85 88 A T G 3 S+ 0 0 36 1,-0.2 -1,-0.3 33,-0.2 3,-0.2 0.444 99.6 58.0 -80.2 -1.3 -2.5 -3.4 -27.7 86 89 A F G < + 0 0 57 -3,-2.1 -1,-0.2 35,-0.1 -2,-0.2 0.059 67.4 110.4-119.6 24.7 1.1 -3.0 -29.0 87 90 A H < + 0 0 1 -3,-0.6 -1,-0.1 32,-0.3 5,-0.1 0.764 45.7 103.2 -68.6 -29.9 2.1 -6.7 -29.4 88 91 A R S > S- 0 0 98 -3,-0.2 3,-2.3 1,-0.1 4,-0.5 -0.366 84.7-122.8 -56.2 134.9 2.1 -6.6 -33.2 89 92 A P G >> S+ 0 0 48 0, 0.0 3,-1.4 0, 0.0 4,-0.5 0.841 106.8 58.0 -63.0 -29.6 5.8 -6.4 -33.9 90 93 A E G 34 S+ 0 0 131 1,-0.3 -2,-0.1 2,-0.1 -3,-0.1 0.597 105.0 54.6 -68.0 -11.9 5.8 -3.2 -36.0 91 94 A L G <> S+ 0 0 50 -3,-2.3 4,-1.9 -5,-0.1 -1,-0.3 0.522 88.8 79.8 -95.1 -11.1 4.2 -1.4 -32.9 92 95 A V H <> S+ 0 0 0 -3,-1.4 4,-2.3 -4,-0.5 5,-0.2 0.962 92.7 42.2 -71.4 -53.8 6.9 -2.4 -30.4 93 96 A R H X S+ 0 0 119 -4,-0.5 4,-3.0 1,-0.2 -1,-0.2 0.938 115.4 49.8 -61.6 -41.7 9.7 0.1 -31.2 94 97 A P H > S+ 0 0 57 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.881 109.8 53.2 -65.3 -36.4 7.3 3.2 -31.6 95 98 A A H X S+ 0 0 11 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.927 111.8 44.5 -62.6 -39.9 5.6 2.2 -28.2 96 99 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.907 111.1 53.7 -72.5 -37.9 9.0 2.2 -26.5 97 100 A E H X S+ 0 0 73 -4,-3.0 4,-2.0 -5,-0.2 -1,-0.2 0.881 107.5 51.3 -61.1 -39.0 9.9 5.4 -28.2 98 101 A N H X S+ 0 0 95 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.893 109.1 50.6 -62.2 -39.6 6.7 7.0 -26.9 99 102 A S H X S+ 0 0 1 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.912 111.3 48.1 -64.4 -41.7 7.6 5.9 -23.4 100 103 A L H X>S+ 0 0 13 -4,-2.6 5,-1.8 1,-0.2 4,-1.2 0.894 111.4 49.7 -66.3 -40.1 11.1 7.4 -23.6 101 104 A K H <5S+ 0 0 156 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.905 111.6 49.7 -66.8 -40.3 9.7 10.7 -25.0 102 105 A K H <5S+ 0 0 69 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.961 117.8 38.4 -64.5 -46.5 7.1 10.9 -22.1 103 106 A A H <5S- 0 0 0 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.628 105.2-131.9 -77.0 -14.1 9.8 10.2 -19.4 104 107 A Q T <5 + 0 0 122 -4,-1.2 2,-0.3 1,-0.2 -3,-0.2 0.916 60.3 136.6 56.8 49.9 12.3 12.4 -21.3 105 108 A L < - 0 0 16 -5,-1.8 -1,-0.2 -6,-0.1 3,-0.1 -0.843 59.5-138.5-121.7 155.6 15.0 9.6 -21.0 106 109 A D S S+ 0 0 150 -2,-0.3 2,-0.3 1,-0.3 -6,-0.1 0.718 86.2 2.1 -85.1 -23.9 17.4 8.4 -23.7 107 110 A Y - 0 0 39 -7,-0.1 2,-0.4 38,-0.0 -1,-0.3 -0.989 64.5-127.1-154.0 154.8 16.9 4.7 -22.6 108 111 A V E - f 0 145B 0 36,-2.4 38,-2.6 -2,-0.3 39,-0.3 -0.854 16.9-140.0 -95.3 145.5 15.0 2.5 -20.3 109 112 A D E S+ 0 0 19 -31,-1.6 38,-1.4 -2,-0.4 2,-0.4 0.844 90.0 15.6 -66.3 -35.5 17.0 0.1 -18.1 110 113 A L E -ef 79 147B 2 -32,-1.7 -30,-2.2 36,-0.2 2,-0.5 -0.994 62.1-169.9-142.2 129.9 14.3 -2.5 -18.6 111 114 A Y E -ef 80 148B 1 36,-2.0 38,-2.1 -2,-0.4 2,-0.4 -0.993 18.6-169.6-121.5 127.0 11.5 -2.9 -21.1 112 115 A L E -ef 81 149B 0 -32,-1.7 -30,-3.3 -2,-0.5 2,-0.7 -0.912 34.3-118.5-110.6 151.2 8.9 -5.6 -20.5 113 116 A I E -ef 82 150B 0 36,-2.0 38,-1.1 -2,-0.4 -30,-0.1 -0.727 36.2-148.7 -70.8 117.0 6.1 -7.3 -22.4 114 117 A H - 0 0 16 -32,-2.2 -1,-0.2 -2,-0.7 -31,-0.1 0.843 67.1 -11.7 -64.5 -35.9 3.5 -6.2 -19.8 115 118 A S - 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0 0 56 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.430 36.2-113.2 -60.8 151.8 -8.0 -12.0 2.8 219 234 A V > - 0 0 47 1,-0.2 3,-2.0 -3,-0.1 4,-0.3 -0.797 21.7-144.0 -91.1 119.2 -5.9 -8.9 3.2 220 235 A L G > S+ 0 0 1 -2,-0.6 3,-2.1 1,-0.3 6,-0.2 0.887 95.7 53.5 -54.9 -45.6 -2.3 -10.1 3.0 221 236 A L G 3 S+ 0 0 54 -17,-0.4 -1,-0.3 1,-0.3 17,-0.1 0.581 102.1 59.7 -74.9 -6.2 -0.9 -7.7 5.7 222 237 A E G < S+ 0 0 144 -3,-2.0 -1,-0.3 15,-0.1 -2,-0.2 0.408 75.4 130.5 -92.4 5.5 -3.5 -8.8 8.2 223 238 A D <> - 0 0 6 -3,-2.1 4,-2.7 -4,-0.3 5,-0.2 -0.312 60.3-136.8 -59.0 133.9 -2.2 -12.3 8.1 224 239 A P H > S+ 0 0 97 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.798 102.6 49.3 -69.1 -27.6 -1.7 -13.6 11.6 225 240 A V H > S+ 0 0 46 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.938 112.9 46.9 -73.8 -47.5 1.7 -15.3 10.8 226 241 A L H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.911 114.8 48.8 -56.1 -39.8 3.0 -12.1 9.0 227 242 A C H X S+ 0 0 51 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.883 111.2 48.8 -69.7 -41.0 1.7 -10.1 12.0 228 243 A A H X S+ 0 0 61 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.885 111.2 49.0 -65.3 -36.1 3.3 -12.4 14.6 229 244 A L H X S+ 0 0 12 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.841 109.0 54.4 -73.1 -35.0 6.7 -12.3 12.7 230 245 A A H X>S+ 0 0 6 -4,-2.0 5,-2.3 -5,-0.3 4,-0.8 0.935 109.8 47.0 -60.0 -42.0 6.4 -8.5 12.6 231 246 A K H <5S+ 0 0 70 -4,-2.2 3,-0.4 1,-0.2 -2,-0.2 0.906 111.8 50.9 -64.1 -46.3 5.9 -8.5 16.4 232 247 A K H <5S+ 0 0 119 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.913 119.5 35.2 -58.1 -45.4 8.9 -10.9 16.9 233 248 A H H <5S- 0 0 45 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.419 105.2-125.7 -89.2 1.7 11.2 -8.8 14.8 234 249 A K T <5S+ 0 0 182 -4,-0.8 -3,-0.2 -3,-0.4 2,-0.1 0.932 78.9 109.0 44.4 50.3 9.7 -5.4 15.9 235 250 A R S - 0 0 37 -2,-0.1 4,-2.0 28,-0.1 5,-0.2 -0.934 29.5-106.2-131.9 165.9 5.9 -4.5 10.3 237 252 A P H > S+ 0 0 32 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.861 120.2 55.2 -61.4 -34.9 3.9 -7.1 8.3 238 253 A A H > S+ 0 0 11 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.928 107.1 47.9 -65.7 -40.5 4.9 -5.3 5.1 239 254 A L H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.883 110.4 52.5 -71.3 -31.1 8.6 -5.5 5.9 240 255 A I H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.953 110.3 48.8 -64.9 -45.5 8.2 -9.2 6.7 241 256 A A H X S+ 0 0 0 -4,-2.5 4,-1.1 1,-0.2 -2,-0.2 0.880 114.8 44.5 -62.8 -34.7 6.6 -9.8 3.3 242 257 A L H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.913 112.7 50.1 -75.8 -45.7 9.4 -7.8 1.5 243 258 A R H X S+ 0 0 41 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.887 102.9 61.4 -65.4 -31.4 12.2 -9.5 3.4 244 259 A Y H X S+ 0 0 0 -4,-2.4 4,-0.7 -5,-0.2 -1,-0.2 0.925 106.8 47.5 -56.8 -46.1 10.7 -13.0 2.6 245 260 A Q H ><>S+ 0 0 0 -4,-1.1 5,-2.3 1,-0.2 3,-1.2 0.926 108.2 52.4 -63.3 -47.7 11.2 -12.3 -1.1 246 261 A L H ><5S+ 0 0 30 -4,-1.8 3,-1.3 1,-0.3 -1,-0.2 0.895 108.2 52.6 -57.5 -37.2 14.8 -11.0 -0.8 247 262 A Q H 3<5S+ 0 0 66 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.650 107.9 50.1 -79.5 -8.7 15.8 -14.2 1.1 248 263 A R T <<5S- 0 0 25 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 0.222 122.1-105.0-105.9 13.1 14.3 -16.5 -1.6 249 264 A G T < 5S+ 0 0 51 -3,-1.3 2,-0.4 1,-0.3 -51,-0.4 0.736 75.0 137.5 77.3 22.4 16.2 -14.6 -4.4 250 265 A V < - 0 0 2 -5,-2.3 2,-0.4 -6,-0.2 -1,-0.3 -0.830 54.7-130.3 -96.8 135.5 13.2 -12.7 -5.8 251 266 A V E - i 0 199B 3 -53,-2.3 -51,-3.3 -2,-0.4 2,-0.4 -0.715 33.7-148.0 -81.8 138.3 13.6 -9.0 -6.6 252 267 A V E -bi 16 200B 0 -237,-2.6 -235,-2.7 -2,-0.4 2,-0.3 -0.920 14.1-157.3-122.1 136.0 10.7 -7.2 -4.9 253 268 A L E -b 17 0B 9 -53,-2.5 -50,-0.3 -2,-0.4 2,-0.3 -0.678 9.1-170.6-100.0 155.6 8.6 -4.2 -5.8 254 269 A A E -b 18 0B 3 -237,-1.9 -235,-2.3 -2,-0.3 2,-0.5 -0.916 7.4-155.4-146.3 121.0 6.7 -2.1 -3.2 255 270 A K E +b 19 0B 75 -2,-0.3 2,-0.3 -237,-0.2 -235,-0.1 -0.811 23.9 155.5 -89.9 134.7 4.2 0.6 -4.0 256 271 A S - 0 0 9 -237,-0.6 -218,-0.1 -2,-0.5 -2,-0.1 -0.928 27.6-174.7-152.4 138.1 3.5 3.3 -1.5 257 272 A Y + 0 0 49 -2,-0.3 2,-0.5 -222,-0.0 -223,-0.0 0.135 66.4 96.1-106.2 18.1 2.2 6.9 -2.0 258 273 A N S > S- 0 0 54 1,-0.1 4,-2.7 -224,-0.0 5,-0.2 -0.921 71.1-141.5-113.6 125.2 2.7 7.6 1.7 259 274 A E H > S+ 0 0 104 -2,-0.5 4,-1.9 1,-0.2 5,-0.2 0.883 100.0 47.4 -54.4 -43.1 5.9 9.3 2.8 260 275 A Q H > S+ 0 0 66 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.916 115.1 45.1 -64.1 -42.8 6.3 7.3 6.1 261 276 A R H > S+ 0 0 138 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.874 108.3 56.9 -75.4 -32.0 5.7 3.9 4.4 262 277 A I H X S+ 0 0 0 -4,-2.7 4,-0.8 1,-0.2 -1,-0.2 0.936 113.4 41.3 -57.8 -50.0 8.0 4.8 1.5 263 278 A R H < S+ 0 0 75 -4,-1.9 3,-0.5 -5,-0.2 4,-0.3 0.883 112.2 56.2 -67.7 -37.4 10.8 5.4 4.0 264 279 A Q H >< S+ 0 0 45 -4,-2.6 3,-2.2 1,-0.2 -2,-0.2 0.913 97.5 63.0 -58.4 -39.2 9.8 2.4 6.1 265 280 A N H >< S+ 0 0 4 -4,-2.3 3,-1.7 1,-0.3 -1,-0.2 0.791 91.3 63.2 -67.1 -29.5 10.1 -0.0 3.1 266 281 A V G >< S+ 0 0 30 -4,-0.8 3,-1.3 -3,-0.5 -1,-0.3 0.617 83.2 79.8 -66.4 -11.0 13.8 0.5 2.7 267 282 A Q G X + 0 0 59 -3,-2.2 3,-2.6 -4,-0.3 4,-0.3 0.548 63.3 94.8 -72.3 -3.9 14.3 -1.0 6.1 268 283 A V G X S+ 0 0 0 -3,-1.7 3,-0.7 1,-0.3 -1,-0.3 0.806 81.4 56.2 -56.6 -25.5 13.9 -4.3 4.4 269 284 A F G < S+ 0 0 65 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.1 0.537 94.1 71.5 -81.3 -5.5 17.8 -4.3 4.3 270 285 A E G < S+ 0 0 118 -3,-2.6 2,-0.3 -4,-0.0 -1,-0.2 0.497 101.7 20.1 -95.3 -2.0 18.1 -3.9 8.1 271 286 A F < - 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0 0 25 -3,-2.0 3,-1.2 1,-0.1 4,-0.1 -0.447 41.8-142.1 -61.0 130.1 -4.3 -16.2 -19.6 303 318 A P G > S+ 0 0 5 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 0.780 92.2 64.0 -77.5 -16.6 -1.3 -17.2 -17.6 304 319 A Y G 3 S+ 0 0 42 1,-0.2 -2,-0.1 2,-0.1 -7,-0.0 0.496 73.6 95.1 -91.2 10.9 -3.0 -18.9 -14.7 305 320 A S G < 0 0 84 -3,-1.2 -1,-0.2 1,-0.3 -3,-0.0 0.711 360.0 360.0 -61.4 -22.9 -4.4 -21.6 -17.1 306 321 A D < 0 0 143 -3,-1.0 -1,-0.3 -4,-0.1 -2,-0.1 0.256 360.0 360.0 -99.2 360.0 -1.5 -23.8 -16.1