==== 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 OXIDOREDUCTASE 31-JAN-06 2FVL . COMPND 2 MOLECULE: ALDO-KETO REDUCTASE FAMILY 1, MEMBER C4; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.UGOCHUKWU,C.SMEE,K.GUO,P.LUKACIK,K.KAVANAGH,J.E.DEBRECZENI . 969 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40810.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 638 65.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 111 11.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 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 . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 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 . 50 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 135 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 260 26.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 23 2.4 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 0 0 0 3 6 5 1 3 3 5 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 6 6 6 6 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 . 9 0 3 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 . 3 0 0 0 0 0 0 3 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 0 224 0, 0.0 5,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -27.4 66.1 70.4 99.4 2 2 A D > - 0 0 79 1,-0.1 3,-2.3 3,-0.0 4,-0.1 -0.673 360.0-121.2 -64.4 130.8 63.0 72.6 99.4 3 3 A P G > S+ 0 0 79 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.727 107.0 72.7 -49.8 -26.7 60.2 70.0 99.2 4 4 A K G 3 S+ 0 0 56 1,-0.3 15,-0.2 13,-0.0 279,-0.0 0.669 91.1 58.4 -69.0 -13.3 58.9 71.7 95.9 5 5 A Y G < S+ 0 0 97 -3,-2.3 -1,-0.3 12,-0.1 40,-0.0 0.256 76.9 140.4 -95.8 10.5 61.9 70.2 94.1 6 6 A Q < - 0 0 111 -3,-1.9 12,-2.0 11,-0.1 13,-0.4 -0.240 29.3-173.8 -59.7 139.5 61.0 66.6 95.1 7 7 A R E -A 17 0A 135 10,-0.3 2,-0.4 11,-0.1 -2,-0.0 -0.895 18.0-136.8-133.0 157.7 61.6 64.0 92.3 8 8 A V E -A 16 0A 51 8,-2.8 8,-2.5 -2,-0.3 2,-0.5 -0.937 27.1-113.9-117.0 141.5 60.8 60.3 91.8 9 9 A E E -A 15 0A 121 -2,-0.4 6,-0.2 6,-0.2 2,-0.1 -0.649 30.4-143.7 -75.8 124.5 63.3 57.8 90.2 10 10 A L > - 0 0 5 4,-3.6 3,-1.8 -2,-0.5 201,-0.1 -0.350 28.5-102.7 -81.1 165.8 62.1 56.5 86.9 11 11 A N T 3 S+ 0 0 40 199,-0.3 -1,-0.1 1,-0.3 174,-0.1 0.636 121.9 55.1 -70.0 -9.9 62.7 52.8 85.8 12 12 A D T 3 S- 0 0 43 2,-0.1 -1,-0.3 172,-0.1 3,-0.1 0.292 122.6-101.9 -98.5 5.6 65.6 54.0 83.5 13 13 A G S < S+ 0 0 40 -3,-1.8 2,-0.1 1,-0.3 -2,-0.1 0.349 84.8 119.6 92.5 -8.5 67.5 55.8 86.3 14 14 A H - 0 0 71 147,-0.1 -4,-3.6 -5,-0.1 2,-0.4 -0.455 59.2-124.4 -85.5 163.7 66.4 59.4 85.5 15 15 A F E -A 9 0A 79 -6,-0.2 -6,-0.2 -2,-0.1 -1,-0.0 -0.926 17.0-161.8-119.0 138.2 64.4 61.5 87.9 16 16 A M E -A 8 0A 0 -8,-2.5 -8,-2.8 -2,-0.4 2,-0.1 -0.974 24.9-118.8-120.6 123.4 61.1 63.2 87.4 17 17 A P E -A 7 0A 11 0, 0.0 -10,-0.3 0, 0.0 -11,-0.1 -0.375 21.7-131.9 -58.4 140.3 59.7 66.1 89.5 18 18 A V S S+ 0 0 12 -12,-2.0 249,-2.3 248,-0.1 2,-0.4 0.627 90.8 54.6 -77.2 -14.5 56.5 65.1 91.2 19 19 A L E S-b 267 0B 8 -13,-0.4 29,-0.7 -15,-0.2 28,-0.5 -0.986 71.9-170.9-120.4 126.6 54.6 68.3 90.3 20 20 A G E -bc 268 48B 0 247,-2.7 249,-2.1 -2,-0.4 2,-0.6 -0.847 22.0-124.4-117.9 153.9 54.4 69.4 86.6 21 21 A F E -bc 269 49B 2 27,-3.0 29,-2.8 -2,-0.3 2,-0.4 -0.846 21.7-143.9 -97.8 116.2 53.3 72.5 84.8 22 22 A G E -bc 270 50B 8 247,-1.4 249,-0.6 -2,-0.6 29,-0.1 -0.698 15.7-175.3 -80.8 133.4 50.6 71.9 82.1 23 23 A T + 0 0 1 27,-1.6 2,-0.3 -2,-0.4 -1,-0.1 0.370 36.5 122.2-112.8 -3.1 51.0 74.2 79.1 24 24 A Y + 0 0 35 26,-0.2 32,-0.1 27,-0.1 -2,-0.0 -0.510 30.3 171.2 -69.3 126.4 48.0 73.5 76.8 25 25 A A - 0 0 2 30,-0.3 -2,-0.0 -2,-0.3 9,-0.0 -0.985 39.3-102.4-129.0 142.8 45.9 76.6 76.0 26 26 A P > - 0 0 6 0, 0.0 3,-1.8 0, 0.0 29,-0.0 -0.231 40.2-101.7 -62.4 156.5 43.1 76.5 73.5 27 27 A P T 3 S+ 0 0 89 0, 0.0 4,-0.1 0, 0.0 28,-0.0 0.669 115.3 66.4 -56.5 -26.3 43.9 78.2 70.1 28 28 A E T 3 S+ 0 0 128 2,-0.1 3,-0.1 3,-0.0 0, 0.0 0.769 80.3 93.4 -68.7 -26.8 42.0 81.4 70.9 29 29 A V S < S- 0 0 39 -3,-1.8 5,-0.1 1,-0.1 -4,-0.1 -0.496 95.5 -95.9 -68.9 130.5 44.5 82.4 73.6 30 30 A P > - 0 0 84 0, 0.0 3,-1.3 0, 0.0 4,-0.4 -0.187 29.4-131.8 -46.4 134.9 47.4 84.6 72.3 31 31 A R T > S+ 0 0 64 1,-0.3 3,-1.2 2,-0.2 4,-0.4 0.862 103.0 60.8 -63.5 -37.0 50.4 82.5 71.5 32 32 A N T >> S+ 0 0 120 1,-0.2 4,-1.4 2,-0.2 3,-0.7 0.655 85.5 77.7 -67.6 -14.5 52.8 84.7 73.4 33 33 A R H <> S+ 0 0 87 -3,-1.3 4,-2.4 1,-0.2 5,-0.3 0.870 85.7 61.6 -59.7 -38.6 50.9 84.1 76.6 34 34 A A H <> S+ 0 0 4 -3,-1.2 4,-1.2 -4,-0.4 -1,-0.2 0.792 101.2 53.7 -57.2 -34.0 52.6 80.6 76.9 35 35 A V H <> S+ 0 0 19 -3,-0.7 4,-1.8 -4,-0.4 -1,-0.2 0.962 111.7 43.8 -65.1 -50.5 56.0 82.4 77.1 36 36 A E H X S+ 0 0 94 -4,-1.4 4,-2.3 1,-0.2 -2,-0.2 0.902 115.1 45.4 -63.7 -48.0 54.9 84.6 80.0 37 37 A V H X S+ 0 0 0 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.726 111.2 53.3 -74.8 -23.5 53.2 81.9 82.1 38 38 A T H X S+ 0 0 0 -4,-1.2 4,-2.0 -5,-0.3 -1,-0.2 0.849 109.8 48.3 -74.8 -38.9 56.0 79.4 81.6 39 39 A K H X S+ 0 0 55 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.929 112.7 49.4 -59.7 -47.4 58.5 82.0 82.9 40 40 A L H X S+ 0 0 13 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.854 109.1 51.9 -59.4 -40.2 56.2 82.7 85.8 41 41 A A H X>S+ 0 0 0 -4,-1.6 5,-2.4 2,-0.2 4,-1.3 0.908 109.7 48.8 -64.2 -43.8 55.9 79.0 86.6 42 42 A I H <5S+ 0 0 3 -4,-2.0 3,-0.5 1,-0.2 -2,-0.2 0.931 110.3 51.3 -63.6 -45.6 59.7 78.6 86.6 43 43 A E H <5S+ 0 0 101 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.849 107.8 54.0 -54.3 -37.5 60.0 81.6 89.0 44 44 A A H <5S- 0 0 14 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.772 129.9 -97.0 -70.5 -29.3 57.3 79.9 91.2 45 45 A G T <5S+ 0 0 2 -4,-1.3 -3,-0.2 -3,-0.5 2,-0.2 0.436 73.6 144.1 124.8 5.8 59.5 76.8 91.3 46 46 A F < + 0 0 3 -5,-2.4 -1,-0.3 1,-0.1 -26,-0.1 -0.520 11.4 164.1 -67.5 138.1 58.0 74.5 88.7 47 47 A R + 0 0 39 -28,-0.5 33,-3.0 -2,-0.2 2,-0.5 0.537 55.7 76.5-129.0 -27.7 60.7 72.5 86.9 48 48 A H E -cd 20 80B 1 -29,-0.7 -27,-3.0 31,-0.2 2,-0.4 -0.833 63.3-174.5 -89.7 121.0 58.7 69.7 85.2 49 49 A I E -cd 21 81B 0 31,-2.6 33,-2.8 -2,-0.5 2,-0.6 -0.987 9.4-154.4-124.5 122.3 57.0 71.3 82.1 50 50 A D E +cd 22 82B 4 -29,-2.8 -27,-1.6 -2,-0.4 -26,-0.2 -0.867 28.7 141.1-104.9 119.6 54.5 69.3 80.0 51 51 A S - 0 0 0 31,-2.5 2,-0.3 -2,-0.6 3,-0.1 -0.632 22.7-163.6-136.2-164.0 53.9 70.0 76.3 52 52 A A > > - 0 0 0 31,-0.2 3,-0.9 -2,-0.2 5,-0.5 -0.935 40.2-102.5-175.1 153.2 53.2 68.3 72.9 53 53 A Y G > 5S+ 0 0 70 31,-1.3 3,-1.5 -2,-0.3 5,-0.1 0.894 119.4 59.8 -48.1 -43.7 53.2 68.9 69.1 54 54 A L G 3 5S+ 0 0 35 1,-0.3 -1,-0.2 30,-0.2 31,-0.0 0.778 93.0 63.8 -61.2 -30.0 49.4 69.1 69.4 55 55 A Y G < 5S- 0 0 30 -3,-0.9 -30,-0.3 1,-0.1 -1,-0.3 0.645 92.8-143.0 -75.0 -13.3 49.5 72.1 71.7 56 56 A N T < 5S+ 0 0 103 -3,-1.5 -3,-0.1 -4,-0.4 -2,-0.1 0.892 73.6 99.1 53.9 45.8 51.1 74.3 69.1 57 57 A N >< + 0 0 1 -5,-0.5 4,-2.8 2,-0.1 3,-0.5 0.319 33.4 109.9-139.4 6.3 53.2 76.0 71.7 58 58 A E H > S+ 0 0 8 1,-0.3 4,-2.2 -6,-0.2 5,-0.2 0.807 80.6 54.5 -67.9 -28.4 56.7 74.4 71.7 59 59 A E H > S+ 0 0 94 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.880 114.6 41.4 -66.1 -39.8 58.3 77.5 70.2 60 60 A Q H > S+ 0 0 36 -3,-0.5 4,-1.7 2,-0.2 -2,-0.2 0.880 115.9 47.1 -76.4 -45.4 56.9 79.7 73.0 61 61 A V H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.899 113.2 50.9 -62.8 -41.4 57.6 77.2 75.8 62 62 A G H X S+ 0 0 0 -4,-2.2 4,-2.6 -5,-0.3 5,-0.2 0.895 107.2 53.6 -62.1 -42.1 61.1 76.7 74.5 63 63 A L H X S+ 0 0 77 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.899 109.6 47.9 -57.8 -44.1 61.7 80.4 74.4 64 64 A A H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.899 113.0 47.9 -62.4 -46.9 60.6 80.7 78.1 65 65 A I H X S+ 0 0 0 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.947 115.5 44.0 -58.5 -50.5 62.9 77.8 79.2 66 66 A R H X S+ 0 0 65 -4,-2.6 4,-3.1 1,-0.2 -2,-0.2 0.816 110.4 55.2 -69.4 -33.6 65.9 79.2 77.3 67 67 A S H X S+ 0 0 41 -4,-2.0 4,-3.8 -5,-0.2 -1,-0.2 0.905 109.0 48.0 -63.8 -42.4 65.2 82.7 78.5 68 68 A K H X S+ 0 0 18 -4,-2.0 4,-1.8 2,-0.2 6,-1.1 0.730 112.9 48.2 -72.8 -22.7 65.3 81.4 82.1 69 69 A I H < S+ 0 0 54 -4,-1.4 -2,-0.2 2,-0.2 -1,-0.2 0.914 114.8 44.1 -74.6 -48.1 68.6 79.5 81.3 70 70 A A H < S- 0 0 85 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.977 143.7 -20.8 -59.2 -60.2 70.0 82.7 79.7 71 71 A D H < S+ 0 0 105 -4,-3.8 -2,-0.2 -5,-0.1 -3,-0.2 -0.277 112.4 68.9-171.3 118.5 68.5 84.3 82.8 72 72 A G S < S- 0 0 32 -4,-1.8 -4,-0.1 2,-0.2 -1,-0.1 -0.278 103.7-108.7-153.2 55.8 66.0 83.8 85.5 73 73 A S S S+ 0 0 75 -4,-0.1 2,-0.3 -6,-0.1 -4,-0.2 0.698 71.1 129.4 -32.9 122.1 68.4 81.2 86.5 74 74 A V - 0 0 8 -6,-1.1 2,-0.3 -9,-0.1 -2,-0.2 -0.844 47.9-128.2-130.0 167.3 67.7 77.6 86.1 75 75 A K >> - 0 0 78 -2,-0.3 3,-1.2 1,-0.1 4,-0.8 -0.812 26.1-110.4-106.2 158.3 70.2 75.3 84.3 76 76 A R G >4 S+ 0 0 34 -2,-0.3 3,-1.2 1,-0.2 -1,-0.1 0.908 118.9 56.9 -52.1 -42.5 69.1 72.9 81.6 77 77 A E G 34 S+ 0 0 131 1,-0.3 -1,-0.2 3,-0.1 0, 0.0 0.727 100.5 58.3 -66.3 -20.6 69.6 69.9 83.9 78 78 A D G <4 S+ 0 0 81 -3,-1.2 2,-0.3 2,-0.0 -1,-0.3 0.684 94.9 79.6 -78.2 -23.2 67.2 71.4 86.4 79 79 A I << - 0 0 2 -3,-1.2 2,-0.5 -4,-0.8 -31,-0.2 -0.707 63.1-161.0 -88.9 139.2 64.3 71.5 83.9 80 80 A F E -d 48 0B 7 -33,-3.0 -31,-2.6 -2,-0.3 2,-0.5 -0.931 16.4-171.3-118.1 99.8 62.4 68.4 83.0 81 81 A Y E -d 49 0B 0 -2,-0.5 31,-1.9 -33,-0.2 32,-1.7 -0.839 4.6-164.1-101.3 125.8 60.7 69.0 79.7 82 82 A T E +de 50 113B 0 -33,-2.8 -31,-2.5 -2,-0.5 2,-0.3 -0.894 10.2 173.9-105.9 130.3 58.1 66.5 78.2 83 83 A S E - e 0 114B 0 30,-2.5 32,-2.0 -2,-0.4 2,-0.4 -0.810 18.4-139.7-119.2 174.0 56.9 66.4 74.6 84 84 A K E - e 0 115B 0 -2,-0.3 -31,-1.3 30,-0.2 2,-0.5 -0.997 12.5-125.7-138.3 136.9 54.6 63.9 72.9 85 85 A L E - e 0 116B 1 30,-3.6 32,-2.2 -2,-0.4 33,-0.3 -0.716 34.9-132.1 -78.7 120.3 54.5 62.2 69.5 86 86 A W > - 0 0 0 -2,-0.5 3,-2.3 30,-0.1 12,-0.0 -0.502 20.4-107.1 -78.0 147.7 51.2 62.9 67.9 87 87 A C G > S+ 0 0 1 1,-0.3 35,-2.0 -2,-0.2 3,-0.7 0.528 113.0 63.5 -42.9 -25.0 49.1 60.0 66.3 88 88 A T G 3 S+ 0 0 2 1,-0.2 37,-0.3 33,-0.2 -1,-0.3 0.478 101.0 53.3 -86.9 -3.4 49.8 61.1 62.7 89 89 A F G < S+ 0 0 33 -3,-2.3 -1,-0.2 35,-0.1 9,-0.2 0.013 72.9 110.1-116.1 25.3 53.5 60.4 63.0 90 90 A F < + 0 0 2 -3,-0.7 -1,-0.1 32,-0.3 5,-0.1 0.633 44.6 104.5 -80.4 -15.7 53.3 56.9 64.4 91 91 A Q S >> S- 0 0 51 -3,-0.2 3,-2.5 1,-0.1 4,-0.6 -0.544 83.9-120.1 -65.8 132.3 54.7 55.2 61.2 92 92 A P H >> S+ 0 0 46 0, 0.0 3,-0.9 0, 0.0 4,-0.6 0.777 108.5 57.2 -46.5 -41.6 58.4 54.3 62.2 93 93 A Q H 34 S+ 0 0 127 1,-0.2 -3,-0.1 2,-0.1 -2,-0.1 0.567 110.9 43.0 -72.0 -10.8 60.0 56.4 59.4 94 94 A M H <> S+ 0 0 50 -3,-2.5 4,-1.2 -5,-0.1 -1,-0.2 0.405 91.6 84.0-116.1 5.3 58.4 59.6 60.7 95 95 A V H S+ 0 0 66 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.854 107.5 55.9 -58.1 -34.0 61.8 63.5 62.3 98 98 A A H X S+ 0 0 14 -4,-1.2 4,-1.8 2,-0.2 -2,-0.2 0.918 110.4 44.0 -62.0 -47.2 58.8 64.4 64.4 99 99 A L H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.917 113.8 50.3 -60.8 -47.2 61.0 64.6 67.6 100 100 A E H X S+ 0 0 92 -4,-2.7 4,-1.6 2,-0.2 -2,-0.2 0.834 107.9 54.2 -62.5 -34.2 63.7 66.5 65.7 101 101 A S H X S+ 0 0 62 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.921 109.4 47.2 -62.8 -46.6 61.0 68.9 64.4 102 102 A S H X S+ 0 0 2 -4,-1.8 4,-2.7 1,-0.2 -2,-0.2 0.905 111.3 51.2 -60.6 -46.1 59.9 69.6 68.0 103 103 A L H X>S+ 0 0 15 -4,-2.4 4,-1.8 2,-0.2 5,-1.0 0.814 106.6 55.2 -60.2 -34.1 63.5 70.1 69.1 104 104 A K H <5S+ 0 0 124 -4,-1.6 -2,-0.2 2,-0.2 -1,-0.2 0.895 111.6 42.9 -66.2 -41.9 64.0 72.6 66.2 105 105 A K H <5S+ 0 0 84 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.903 118.4 45.4 -68.7 -42.6 61.0 74.7 67.5 106 106 A L H <5S- 0 0 0 -4,-2.7 -2,-0.2 -5,-0.2 -40,-0.2 0.796 97.0-141.9 -64.3 -32.0 62.2 74.4 71.1 107 107 A Q T <5 + 0 0 130 -4,-1.8 2,-0.3 1,-0.3 -3,-0.2 0.793 59.2 127.7 58.6 34.8 65.8 75.1 70.2 108 108 A L < - 0 0 17 -5,-1.0 -1,-0.3 -6,-0.1 -2,-0.1 -0.801 64.3-134.0-110.7 158.5 66.8 72.5 72.8 109 109 A D S S+ 0 0 144 -2,-0.3 2,-0.3 1,-0.2 -6,-0.1 0.682 83.2 2.7 -84.4 -23.5 69.2 69.5 72.2 110 110 A Y - 0 0 39 -7,-0.1 2,-0.3 50,-0.0 50,-0.2 -0.969 62.2-127.1-154.5 159.9 67.0 66.9 73.9 111 111 A V E - f 0 160B 0 48,-2.0 50,-2.4 -2,-0.3 51,-0.2 -0.847 17.9-139.0-103.5 152.0 63.7 66.4 75.7 112 112 A D E S+ 0 0 17 -31,-1.9 50,-1.1 -2,-0.3 2,-0.3 0.789 89.6 16.4 -76.9 -28.3 63.6 64.8 79.1 113 113 A L E -ef 82 162B 2 -32,-1.7 -30,-2.5 48,-0.2 2,-0.4 -0.995 60.5-169.5-149.1 135.1 60.6 62.7 78.2 114 114 A Y E -ef 83 163B 2 48,-1.1 50,-2.1 -2,-0.3 2,-0.3 -0.979 17.6-167.2-129.2 118.6 58.9 61.8 74.9 115 115 A L E -ef 84 164B 0 -32,-2.0 -30,-3.6 -2,-0.4 2,-0.6 -0.764 30.8-121.8-104.3 144.9 55.5 60.1 75.0 116 116 A L E -ef 85 165B 0 48,-1.6 50,-1.2 -2,-0.3 -30,-0.1 -0.819 33.3-146.6 -71.5 120.7 53.2 58.3 72.5 117 117 A H S S- 0 0 10 -32,-2.2 -1,-0.1 -2,-0.6 -31,-0.1 0.842 71.1 -6.5 -69.6 -37.3 50.2 60.7 72.9 118 118 A F - 0 0 8 -33,-0.3 -1,-0.2 2,-0.1 49,-0.1 -0.952 68.0-114.7-145.6 162.8 47.6 58.0 72.4 119 119 A P S S+ 0 0 0 0, 0.0 2,-0.5 0, 0.0 25,-0.1 0.268 89.0 96.8 -79.6 16.1 47.7 54.3 71.4 120 120 A M - 0 0 0 195,-0.1 2,-0.4 21,-0.0 -2,-0.1 -0.925 63.5-148.1-120.7 116.7 45.8 55.2 68.2 121 121 A A - 0 0 4 -2,-0.5 19,-2.2 19,-0.4 2,-0.3 -0.655 17.5-168.0 -83.5 132.7 47.4 55.9 64.8 122 122 A L B -J 139 0C 1 -35,-2.0 -32,-0.3 -2,-0.4 17,-0.2 -0.744 38.6 -68.5-116.1 164.1 45.8 58.4 62.5 123 123 A K - 0 0 99 15,-1.8 17,-0.1 -2,-0.3 -1,-0.1 -0.247 58.3-109.1 -52.7 127.0 46.3 59.2 58.8 124 124 A P S S+ 0 0 44 0, 0.0 2,-0.3 0, 0.0 -35,-0.1 -0.243 70.2 89.3 -57.3 147.8 49.7 60.8 58.1 125 125 A G S S- 0 0 38 -37,-0.3 -37,-0.1 1,-0.1 0, 0.0 -0.925 86.5 -71.8 150.7-175.8 49.6 64.6 57.1 126 126 A E S S+ 0 0 114 -2,-0.3 -1,-0.1 3,-0.0 3,-0.1 0.706 102.6 85.0 -86.7 -23.8 49.6 68.1 58.5 127 127 A T - 0 0 87 1,-0.2 0, 0.0 -3,-0.1 0, 0.0 -0.719 67.3-154.2 -82.3 118.5 46.1 68.0 60.0 128 128 A P S S+ 0 0 39 0, 0.0 -1,-0.2 0, 0.0 -41,-0.0 0.853 94.1 34.0 -61.5 -36.9 46.2 66.5 63.5 129 129 A L S S- 0 0 36 -3,-0.1 2,-0.1 -7,-0.0 -3,-0.0 -0.696 87.2-165.8-116.2 77.6 42.6 65.2 63.2 130 130 A P - 0 0 14 0, 0.0 8,-2.8 0, 0.0 2,-0.3 -0.419 8.6-164.4 -72.4 134.7 42.3 64.4 59.5 131 131 A K B -K 137 0D 117 6,-0.3 6,-0.2 -2,-0.1 2,-0.1 -0.799 11.9-130.5-121.2 157.8 38.6 63.9 58.4 132 132 A D > - 0 0 67 4,-2.0 3,-2.2 -2,-0.3 -1,-0.1 -0.261 50.0 -76.2 -91.9-174.8 36.8 62.4 55.4 133 133 A E T 3 S+ 0 0 107 1,-0.3 -2,-0.0 2,-0.1 -1,-0.0 0.633 134.6 47.4 -57.8 -18.7 34.0 63.8 53.2 134 134 A N T 3 S- 0 0 152 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.274 119.9-106.8-105.1 6.5 31.5 63.1 56.1 135 135 A G S < S+ 0 0 42 -3,-2.2 2,-0.4 1,-0.3 -2,-0.1 0.703 72.9 140.9 74.2 21.4 33.7 64.6 58.9 136 136 A K - 0 0 85 1,-0.0 -4,-2.0 175,-0.0 -1,-0.3 -0.802 59.9-108.0 -92.1 134.9 34.7 61.2 60.4 137 137 A V B -K 131 0D 5 173,-0.4 2,-0.5 -2,-0.4 -6,-0.3 -0.432 31.4-126.5 -67.9 135.5 38.3 61.0 61.5 138 138 A I - 0 0 53 -8,-2.8 -15,-1.8 -2,-0.1 2,-0.1 -0.735 26.0-152.9 -88.2 124.6 40.5 58.8 59.2 139 139 A F B -J 122 0C 64 -2,-0.5 2,-0.3 -17,-0.2 -17,-0.3 -0.397 4.7-153.3 -92.8 171.1 42.4 56.1 61.0 140 140 A D - 0 0 35 -19,-2.2 2,-0.5 -2,-0.1 -19,-0.4 -0.919 14.2-127.5-140.5 157.5 45.7 54.3 60.2 141 141 A T + 0 0 130 -2,-0.3 2,-0.3 -21,-0.1 -19,-0.0 -0.968 37.0 157.7-115.4 119.7 47.1 50.9 61.0 142 142 A V - 0 0 30 -2,-0.5 2,-0.8 -51,-0.1 -21,-0.1 -0.992 45.7-119.2-139.2 141.6 50.6 50.7 62.6 143 143 A D >> - 0 0 107 -2,-0.3 4,-1.4 1,-0.2 3,-1.0 -0.785 24.0-153.4 -76.0 112.7 52.3 48.0 64.6 144 144 A L H 3> S+ 0 0 33 -2,-0.8 4,-2.4 1,-0.3 -1,-0.2 0.700 91.4 66.6 -65.2 -20.9 53.0 50.0 67.9 145 145 A S H 3> S+ 0 0 23 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.852 102.2 46.8 -65.2 -35.7 56.0 47.8 68.6 146 146 A A H <> S+ 0 0 29 -3,-1.0 4,-1.1 2,-0.2 -2,-0.2 0.862 111.4 50.4 -73.4 -41.0 57.7 49.3 65.5 147 147 A T H X S+ 0 0 0 -4,-1.4 4,-1.3 1,-0.2 3,-0.5 0.915 111.1 50.6 -57.5 -44.4 56.8 52.8 66.6 148 148 A W H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.854 102.1 59.7 -65.7 -37.0 58.2 51.9 70.0 149 149 A E H X S+ 0 0 102 -4,-1.6 4,-1.5 1,-0.2 -1,-0.2 0.822 106.2 48.5 -57.8 -33.7 61.5 50.6 68.5 150 150 A V H X S+ 0 0 20 -4,-1.1 4,-1.8 -3,-0.5 -1,-0.2 0.788 106.9 55.2 -79.7 -27.1 62.1 54.1 67.0 151 151 A M H X S+ 0 0 0 -4,-1.3 4,-1.6 2,-0.2 -2,-0.2 0.901 108.6 49.0 -65.3 -44.9 61.3 55.7 70.4 152 152 A E H X S+ 0 0 13 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.879 108.9 52.8 -56.9 -43.4 64.1 53.5 71.8 153 153 A K H X S+ 0 0 114 -4,-1.5 4,-1.7 1,-0.2 -2,-0.2 0.864 106.7 53.2 -61.5 -39.4 66.3 54.6 68.9 154 154 A C H <>S+ 0 0 0 -4,-1.8 5,-1.8 2,-0.2 6,-1.2 0.832 109.6 47.9 -63.3 -36.8 65.6 58.2 69.9 155 155 A K H ><5S+ 0 0 34 -4,-1.6 3,-0.7 4,-0.2 -2,-0.2 0.864 112.2 49.1 -69.4 -40.6 66.6 57.5 73.5 156 156 A D H 3<5S+ 0 0 79 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.811 107.7 55.1 -66.4 -33.4 69.8 55.8 72.3 157 157 A A T 3<5S- 0 0 60 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.543 115.7-117.2 -77.8 -8.7 70.5 58.8 70.0 158 158 A G T < 5S+ 0 0 37 -3,-0.7 -3,-0.2 2,-0.3 3,-0.1 0.503 85.3 115.8 87.7 6.7 70.3 61.1 73.0 159 159 A L S - 0 0 7 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.455 33.3 -96.6 -92.8 173.4 45.2 50.9 78.9 170 170 A Y H > S+ 0 0 17 153,-1.3 4,-2.2 1,-0.2 5,-0.1 0.903 123.8 48.3 -61.9 -41.7 46.7 47.9 80.8 171 171 A R H > S+ 0 0 70 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.821 111.6 51.4 -68.7 -30.8 46.5 45.5 77.9 172 172 A Q H > S+ 0 0 26 2,-0.2 4,-1.0 -3,-0.2 -2,-0.2 0.893 109.8 48.6 -72.8 -40.2 48.2 48.1 75.6 173 173 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 3,-0.4 0.872 109.2 54.6 -62.0 -41.1 51.0 48.7 78.1 174 174 A E H X S+ 0 0 25 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.829 98.5 61.5 -61.9 -34.8 51.4 44.9 78.3 175 175 A M H < S+ 0 0 119 -4,-1.3 -1,-0.2 2,-0.2 -2,-0.2 0.853 112.6 38.4 -59.1 -36.0 51.8 44.7 74.5 176 176 A I H >< S+ 0 0 3 -4,-1.0 3,-1.5 -3,-0.4 -2,-0.2 0.898 115.2 51.9 -78.5 -46.1 54.9 47.0 75.0 177 177 A L H 3< S+ 0 0 26 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.826 114.8 43.4 -60.0 -34.4 56.1 45.3 78.2 178 178 A N T 3< S+ 0 0 36 -4,-2.6 -1,-0.3 -5,-0.2 774,-0.2 0.054 83.7 130.2-101.6 23.6 55.9 41.8 76.5 179 179 A K X - 0 0 13 -3,-1.5 3,-1.8 1,-0.1 2,-0.2 -0.619 65.9-111.8 -77.8 129.3 57.5 42.9 73.2 180 180 A P T 3 S+ 0 0 34 0, 0.0 700,-0.2 0, 0.0 699,-0.1 -0.455 101.7 14.1 -67.7 131.8 60.3 40.6 72.1 181 181 A G T 3 S+ 0 0 43 698,-0.8 699,-0.1 1,-0.2 -3,-0.0 0.633 84.3 175.8 78.5 16.6 63.7 42.4 72.2 182 182 A L < + 0 0 47 -3,-1.8 -1,-0.2 1,-0.2 3,-0.1 -0.307 10.0 179.4 -50.4 131.0 62.3 45.2 74.3 183 183 A K + 0 0 126 1,-0.3 2,-0.4 0, 0.0 -1,-0.2 0.779 66.9 19.8-104.2 -45.2 65.2 47.5 75.2 184 184 A Y S S- 0 0 60 -22,-0.0 -1,-0.3 -172,-0.0 3,-0.1 -0.987 70.2-148.1-133.6 122.5 63.5 50.2 77.3 185 185 A K - 0 0 71 -2,-0.4 -22,-0.3 1,-0.1 2,-0.1 -0.378 42.0 -81.0 -80.2 162.1 60.1 50.0 79.0 186 186 A P - 0 0 0 0, 0.0 -22,-0.3 0, 0.0 -1,-0.1 -0.443 30.1-152.4 -61.1 138.0 57.9 53.0 79.3 187 187 A V S S+ 0 0 2 -24,-2.4 25,-2.4 1,-0.2 2,-0.3 0.762 74.6 2.1 -76.6 -24.8 58.9 55.2 82.3 188 188 A C E - h 0 212B 0 -25,-0.3 -23,-2.2 23,-0.3 2,-0.4 -0.939 50.7-140.4-154.7 164.1 55.3 56.4 82.6 189 189 A N E -gh 165 213B 0 23,-2.1 25,-1.9 -2,-0.3 2,-0.7 -0.937 24.1-154.3-130.8 110.1 51.7 56.3 81.5 190 190 A Q E +gh 166 214B 4 -25,-1.9 -23,-2.2 -2,-0.4 2,-0.3 -0.805 30.8 158.8 -86.9 115.4 50.2 59.8 81.6 191 191 A V E - h 0 215B 4 23,-2.3 25,-2.6 -2,-0.7 2,-0.2 -0.894 49.6 -83.2-137.3 157.5 46.4 59.4 82.1 192 192 A E E + h 0 216B 2 -2,-0.3 2,-0.3 23,-0.2 25,-0.2 -0.467 57.4 166.5 -57.3 129.3 43.4 61.4 83.2 193 193 A C + 0 0 0 23,-2.2 5,-0.2 -2,-0.2 27,-0.1 -0.878 9.6 125.0-161.6 123.6 43.3 61.1 87.0 194 194 A H B > S-L 197 0E 0 3,-1.3 3,-1.2 -2,-0.3 25,-0.1 -0.898 73.3 -73.3-164.6 170.3 41.3 63.0 89.7 195 195 A P T 3 S+ 0 0 0 0, 0.0 3,-0.4 0, 0.0 23,-0.0 0.684 129.7 51.2 -57.4 -18.9 39.0 62.1 92.6 196 196 A Y T 3 S+ 0 0 9 1,-0.3 105,-2.0 104,-0.2 107,-1.7 0.663 126.7 25.0 -87.9 -20.9 36.1 61.2 90.2 197 197 A L B < S+L 194 0E 4 -3,-1.2 -3,-1.3 105,-0.2 -1,-0.3 -0.668 74.0 169.1-137.5 79.3 38.4 58.9 88.2 198 198 A N - 0 0 4 -3,-0.4 5,-0.1 -5,-0.2 -1,-0.1 0.584 35.3-138.4 -80.4 -4.1 41.1 57.9 90.6 199 199 A Q > + 0 0 23 1,-0.1 4,-3.4 3,-0.1 5,-0.3 0.768 41.0 160.2 57.1 31.3 42.6 55.1 88.4 200 200 A S H > S+ 0 0 52 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.882 73.1 43.0 -45.3 -51.7 43.1 52.7 91.4 201 201 A K H > S+ 0 0 105 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.937 117.3 43.0 -70.4 -49.4 43.4 49.6 89.2 202 202 A L H > S+ 0 0 4 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.860 114.2 53.8 -62.5 -36.0 45.6 51.1 86.5 203 203 A L H X S+ 0 0 7 -4,-3.4 4,-2.8 2,-0.2 -2,-0.2 0.943 108.9 48.2 -63.4 -48.4 47.7 52.7 89.3 204 204 A D H X S+ 0 0 107 -4,-2.6 4,-1.8 -5,-0.3 -2,-0.2 0.889 112.7 49.2 -55.4 -44.8 48.2 49.3 91.0 205 205 A F H X S+ 0 0 20 -4,-2.2 4,-0.9 2,-0.2 -2,-0.2 0.962 111.7 47.8 -60.0 -53.4 49.1 47.8 87.6 206 206 A C H ><>S+ 0 0 0 -4,-2.9 5,-2.6 1,-0.2 3,-1.1 0.924 111.0 50.5 -54.7 -48.8 51.7 50.5 86.8 207 207 A K H ><5S+ 0 0 112 -4,-2.8 3,-1.1 1,-0.3 -1,-0.2 0.877 107.7 53.9 -57.5 -39.2 53.3 50.3 90.3 208 208 A S H 3<5S+ 0 0 85 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.655 114.5 42.4 -68.5 -18.6 53.6 46.5 89.9 209 209 A K T <<5S- 0 0 47 -3,-1.1 -1,-0.3 -4,-0.9 -2,-0.2 0.229 116.2-112.5-113.3 9.2 55.4 47.1 86.6 210 210 A D T < 5S+ 0 0 95 -3,-1.1 2,-0.4 -4,-0.3 -199,-0.3 0.877 71.3 138.6 60.4 41.4 57.6 50.0 87.9 211 211 A I < - 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0 0 37 -2,-0.2 4,-1.8 28,-0.1 3,-0.5 -0.895 31.0-108.6-124.0 158.1 41.5 75.7 97.9 252 252 A P H 3> S+ 0 0 30 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.841 119.0 56.3 -51.7 -37.4 39.8 72.8 96.2 253 253 A A H 3> S+ 0 0 11 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.904 105.7 50.4 -61.6 -42.4 42.5 72.7 93.5 254 254 A L H <> S+ 0 0 2 -3,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.864 109.0 51.7 -67.5 -36.5 45.2 72.3 96.2 255 255 A I H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.901 110.0 49.4 -61.0 -44.6 43.3 69.4 97.8 256 256 A A H X S+ 0 0 0 -4,-2.0 4,-1.2 1,-0.2 -2,-0.2 0.880 113.8 45.3 -65.6 -40.4 43.0 67.6 94.4 257 257 A L H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.887 112.6 50.2 -67.6 -43.2 46.7 68.0 93.7 258 258 A R H X S+ 0 0 37 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.853 101.8 63.3 -65.8 -36.5 47.8 66.9 97.2 259 259 A Y H X S+ 0 0 0 -4,-2.1 4,-0.7 1,-0.2 -1,-0.2 0.945 106.5 44.6 -47.8 -52.6 45.5 63.9 96.9 260 260 A Q H ><>S+ 0 0 0 -4,-1.2 5,-2.5 1,-0.2 3,-0.9 0.905 109.8 53.7 -64.7 -43.8 47.7 62.6 94.0 261 261 A L H ><5S+ 0 0 27 -4,-1.8 3,-1.3 1,-0.2 -1,-0.2 0.928 108.4 50.3 -56.3 -44.3 51.1 63.4 95.7 262 262 A Q H 3<5S+ 0 0 68 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.595 109.1 51.3 -75.8 -10.4 50.1 61.4 98.8 263 263 A R T <<5S- 0 0 29 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.257 121.4-101.8-103.6 9.0 49.1 58.3 96.7 264 264 A G T < 5S+ 0 0 50 -3,-1.3 2,-0.4 -4,-0.3 -51,-0.4 0.780 77.0 137.0 77.8 27.6 52.4 58.2 94.8 265 265 A V < - 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