==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 21-DEC-05 2FGB . COMPND 2 MOLECULE: ALDO-KETO REDUCTASE FAMILY 1 MEMBER C3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR W.QIU,M.ZHOU,A.AZZI,V.LUU-THE,F.LABRIE,S.X.LIN . 312 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13667.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 212 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 37 11.9 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 . 1 0.3 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 . 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 . 16 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 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 1 2 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 . 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 1 A M 0 0 173 0, 0.0 274,-0.3 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 148.3 6.8 25.4 -9.4 2 2 A D - 0 0 44 272,-4.1 2,-0.3 274,-0.1 272,-0.1 -0.432 360.0 -95.6 -66.9 161.1 6.7 25.0 -5.5 3 3 A S > - 0 0 67 1,-0.1 3,-1.5 -2,-0.1 -1,-0.1 -0.663 21.9-138.0 -76.7 133.2 5.4 27.7 -3.2 4 4 A K T 3 S+ 0 0 91 -2,-0.3 15,-0.2 1,-0.3 -1,-0.1 0.722 102.8 60.6 -62.5 -19.9 8.1 30.0 -1.8 5 5 A Q T 3 S+ 0 0 150 12,-0.1 -1,-0.3 13,-0.1 -2,-0.0 0.166 72.7 146.5 -96.9 16.9 6.2 29.8 1.5 6 6 A Q < + 0 0 80 -3,-1.5 12,-2.4 11,-0.1 13,-0.4 -0.302 22.1 172.7 -58.3 130.2 6.4 26.0 1.9 7 7 A C E -A 17 0A 58 10,-0.3 2,-0.3 11,-0.1 -2,-0.0 -0.907 25.1-137.2-135.5 163.6 6.7 25.1 5.6 8 8 A V E -A 16 0A 49 8,-2.5 8,-2.9 -2,-0.3 2,-0.5 -0.926 26.8-112.6-119.9 149.3 6.7 22.0 7.7 9 9 A K E -A 15 0A 133 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.699 30.2-140.8 -83.2 126.9 5.0 21.4 11.0 10 10 A L > - 0 0 4 4,-3.5 3,-2.4 -2,-0.5 191,-0.1 -0.403 28.9-101.9 -81.0 163.4 7.3 21.0 14.0 11 11 A N T 3 S+ 0 0 41 189,-0.4 164,-0.1 1,-0.3 -1,-0.1 0.545 121.7 54.6 -68.4 -5.6 6.6 18.5 16.8 12 12 A D T 3 S- 0 0 44 2,-0.2 -1,-0.3 162,-0.1 3,-0.1 0.264 122.7-100.9-106.5 7.6 5.3 21.4 19.0 13 13 A G S < S+ 0 0 34 -3,-2.4 -2,-0.1 1,-0.3 2,-0.1 0.333 84.9 120.2 92.2 -8.7 2.7 22.6 16.5 14 14 A H - 0 0 69 137,-0.1 -4,-3.5 -5,-0.1 2,-0.4 -0.431 59.3-122.5 -82.7 166.3 4.7 25.6 15.2 15 15 A F E -A 9 0A 111 -6,-0.2 -6,-0.2 -2,-0.1 -1,-0.0 -0.933 17.7-162.0-120.0 136.0 5.6 25.8 11.5 16 16 A M E -A 8 0A 0 -8,-2.9 -8,-2.5 -2,-0.4 2,-0.1 -0.961 23.1-123.7-118.6 124.0 9.1 26.2 9.9 17 17 A P E -A 7 0A 22 0, 0.0 -10,-0.3 0, 0.0 -11,-0.1 -0.429 20.9-133.9 -62.8 140.0 9.7 27.5 6.4 18 18 A V S S+ 0 0 6 -12,-2.4 239,-2.6 238,-0.1 2,-0.5 0.595 89.6 57.8 -79.1 -12.2 11.8 24.8 4.5 19 19 A L E S-b 257 0B 10 -13,-0.4 29,-0.8 -15,-0.2 28,-0.5 -0.985 71.3-174.8-117.2 127.3 14.2 27.3 3.1 20 20 A G E -bc 258 48B 0 237,-2.7 239,-1.8 -2,-0.5 2,-0.5 -0.911 24.2-123.5-124.0 152.8 16.2 29.6 5.4 21 21 A F E -bc 259 49B 0 27,-3.1 29,-2.9 -2,-0.3 2,-0.5 -0.812 22.3-141.5 -94.5 122.4 18.6 32.5 5.0 22 22 A G E -bc 260 50B 8 237,-1.9 239,-0.6 -2,-0.5 29,-0.1 -0.738 16.5-174.7 -84.8 128.4 22.1 32.0 6.6 23 23 A T + 0 0 0 27,-1.7 2,-0.2 -2,-0.5 -1,-0.1 0.478 38.6 119.1-105.5 -4.0 23.4 35.2 8.2 24 24 A Y + 0 0 34 26,-0.2 32,-0.1 27,-0.1 -2,-0.1 -0.468 30.3 167.9 -68.7 131.2 26.9 34.3 9.4 25 25 A A - 0 0 1 30,-0.3 9,-0.1 -2,-0.2 -2,-0.0 -0.989 39.3-103.3-134.0 143.6 29.7 36.4 7.8 26 26 A P > - 0 0 14 0, 0.0 3,-2.2 0, 0.0 29,-0.0 -0.168 39.3 -99.5 -65.5 161.5 33.3 36.4 9.1 27 27 A P T 3 S+ 0 0 85 0, 0.0 4,-0.1 0, 0.0 28,-0.0 0.693 116.7 69.9 -59.1 -23.4 34.6 39.3 11.2 28 28 A E T 3 S+ 0 0 147 2,-0.1 3,-0.0 3,-0.0 0, 0.0 0.698 83.1 85.2 -67.3 -19.4 36.4 41.0 8.2 29 29 A V S < S- 0 0 36 -3,-2.2 -4,-0.1 1,-0.1 5,-0.1 -0.740 97.1-108.3 -81.9 124.3 32.9 41.7 6.8 30 30 A P > - 0 0 86 0, 0.0 3,-1.6 0, 0.0 4,-0.4 -0.225 22.0-122.3 -54.8 143.7 31.7 45.0 8.2 31 31 A R T > S+ 0 0 68 1,-0.3 3,-1.0 2,-0.2 4,-0.4 0.814 107.7 65.5 -58.8 -31.7 28.9 44.6 10.8 32 32 A S T >> S+ 0 0 82 1,-0.2 4,-1.3 2,-0.2 3,-0.8 0.722 84.1 75.0 -66.0 -21.8 26.6 46.8 8.8 33 33 A K H <> S+ 0 0 72 -3,-1.6 4,-2.6 1,-0.2 5,-0.3 0.855 85.6 62.3 -61.6 -36.6 26.5 44.4 5.8 34 34 A A H <> S+ 0 0 3 -3,-1.0 4,-2.0 -4,-0.4 -1,-0.2 0.838 100.7 54.4 -58.5 -34.5 24.1 42.0 7.6 35 35 A L H <> S+ 0 0 44 -3,-0.8 4,-1.8 -4,-0.4 -1,-0.2 0.969 111.2 43.7 -61.3 -53.5 21.5 44.7 7.8 36 36 A E H X S+ 0 0 91 -4,-1.3 4,-2.0 1,-0.2 -2,-0.2 0.915 117.0 44.5 -58.9 -48.0 21.6 45.2 4.0 37 37 A V H X S+ 0 0 1 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.828 109.0 54.9 -75.2 -30.9 21.6 41.6 3.0 38 38 A T H X S+ 0 0 0 -4,-2.0 4,-2.4 -5,-0.3 -1,-0.2 0.900 109.2 48.9 -67.9 -38.2 18.9 40.4 5.4 39 39 A K H X S+ 0 0 64 -4,-1.8 4,-2.9 -5,-0.2 -2,-0.2 0.940 111.4 49.8 -62.1 -45.7 16.6 43.1 3.9 40 40 A L H X S+ 0 0 18 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.900 109.2 52.5 -57.5 -41.9 17.5 41.8 0.5 41 41 A A H X>S+ 0 0 0 -4,-2.5 5,-2.5 2,-0.2 4,-1.0 0.930 110.9 45.8 -61.9 -46.4 16.8 38.2 1.6 42 42 A I H ><5S+ 0 0 3 -4,-2.4 3,-0.9 3,-0.2 -2,-0.2 0.934 112.1 52.0 -60.8 -44.9 13.3 39.2 2.9 43 43 A E H 3<5S+ 0 0 98 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.903 108.2 51.9 -55.7 -42.1 12.7 41.1 -0.4 44 44 A A H 3<5S- 0 0 7 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.668 130.1 -94.2 -71.3 -19.5 13.7 38.0 -2.4 45 45 A G T <<5S+ 0 0 13 -4,-1.0 -3,-0.2 -3,-0.9 2,-0.2 0.416 74.4 142.4 121.2 -0.1 11.2 35.9 -0.4 46 46 A F < + 0 0 3 -5,-2.5 -1,-0.3 -6,-0.2 -26,-0.1 -0.512 12.6 166.1 -68.1 138.8 13.2 34.3 2.5 47 47 A R + 0 0 61 -28,-0.5 33,-2.9 -2,-0.2 2,-0.5 0.577 58.3 75.0-124.3 -28.0 11.1 34.2 5.7 48 48 A H E -cd 20 80B 1 -29,-0.8 -27,-3.1 31,-0.2 2,-0.4 -0.803 65.5-173.6 -89.8 121.5 13.2 31.8 7.8 49 49 A I E -cd 21 81B 0 31,-3.0 33,-2.6 -2,-0.5 2,-0.6 -0.986 10.3-152.6-126.5 124.9 16.3 33.7 9.1 50 50 A D E +cd 22 82B 4 -29,-2.9 -27,-1.7 -2,-0.4 -26,-0.2 -0.874 28.1 147.9-110.1 113.9 19.1 32.0 10.9 51 51 A S - 0 0 0 31,-2.4 2,-0.3 -2,-0.6 3,-0.1 -0.547 19.4-167.2-125.0-168.3 21.3 33.9 13.4 52 52 A A > > - 0 0 0 31,-0.2 3,-1.0 -2,-0.2 5,-0.5 -0.928 39.7-106.7-175.6 152.7 23.2 33.2 16.7 53 53 A H G > 5S+ 0 0 58 31,-1.7 3,-1.7 -2,-0.3 5,-0.2 0.915 118.4 61.0 -52.7 -44.3 24.9 34.9 19.6 54 54 A L G 3 5S+ 0 0 64 1,-0.3 -1,-0.2 30,-0.2 31,-0.0 0.763 92.2 66.0 -54.5 -29.0 28.2 33.7 18.0 55 55 A Y G < 5S- 0 0 23 -3,-1.0 -30,-0.3 1,-0.1 -1,-0.3 0.635 88.5-144.3 -79.0 -12.4 27.5 35.7 14.8 56 56 A N T < 5S+ 0 0 106 -3,-1.7 -3,-0.1 -4,-0.4 -2,-0.1 0.897 76.9 96.8 48.8 44.1 27.8 39.1 16.4 57 57 A N >< + 0 0 0 -5,-0.5 4,-3.0 -4,-0.1 5,-0.3 0.286 36.6 110.1-138.6 6.0 25.0 40.3 14.0 58 58 A E H > S+ 0 0 2 -6,-0.3 4,-2.7 1,-0.2 5,-0.2 0.842 80.2 52.5 -60.6 -36.3 21.8 40.0 16.0 59 59 A E H > S+ 0 0 124 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.921 114.6 42.0 -62.6 -44.3 21.3 43.8 16.2 60 60 A Q H > S+ 0 0 44 -3,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.898 116.6 46.9 -71.2 -43.6 21.7 44.1 12.4 61 61 A V H X S+ 0 0 0 -4,-3.0 4,-2.1 2,-0.2 -2,-0.2 0.923 113.0 50.4 -64.5 -43.2 19.6 41.1 11.6 62 62 A G H X S+ 0 0 0 -4,-2.7 4,-2.7 -5,-0.3 -2,-0.2 0.902 109.6 50.6 -59.7 -43.0 16.9 42.2 14.0 63 63 A L H X S+ 0 0 72 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.876 107.2 53.8 -64.5 -38.9 16.8 45.7 12.6 64 64 A A H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.935 111.0 46.2 -59.6 -46.7 16.4 44.3 9.0 65 65 A I H X S+ 0 0 0 -4,-2.1 4,-1.4 1,-0.2 -2,-0.2 0.945 115.2 46.0 -59.8 -48.7 13.4 42.3 10.2 66 66 A R H X S+ 0 0 81 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.835 109.8 54.9 -68.4 -31.4 11.9 45.3 12.0 67 67 A S H X S+ 0 0 41 -4,-2.7 4,-1.7 2,-0.2 -1,-0.2 0.877 109.3 47.1 -65.5 -39.7 12.5 47.5 9.0 68 68 A K H <>S+ 0 0 14 -4,-2.0 6,-2.2 2,-0.2 5,-0.9 0.698 113.8 48.2 -77.2 -21.2 10.6 45.2 6.7 69 69 A I H ><5S+ 0 0 52 -4,-1.4 3,-1.4 4,-0.2 -2,-0.2 0.903 111.3 50.6 -76.2 -47.1 7.8 45.0 9.3 70 70 A A H 3<5S+ 0 0 89 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.825 110.2 48.7 -61.1 -36.1 7.7 48.8 9.6 71 71 A D T 3<5S- 0 0 91 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.1 0.397 116.9-112.7 -87.9 3.3 7.5 49.4 5.9 72 72 A G T < 5S+ 0 0 64 -3,-1.4 -3,-0.2 2,-0.3 -2,-0.1 0.462 82.9 121.5 84.7 3.8 4.7 46.8 5.5 73 73 A S S > - 0 0 122 -2,-0.3 3,-1.8 1,-0.1 4,-0.6 -0.801 35.4-110.9-104.3 156.8 4.3 41.0 9.5 76 76 A R G >4 S+ 0 0 33 -2,-0.3 3,-1.5 1,-0.3 -1,-0.1 0.871 118.7 58.1 -54.5 -40.1 6.2 39.5 12.5 77 77 A E G 34 S+ 0 0 135 1,-0.3 -1,-0.3 3,-0.1 -3,-0.0 0.675 98.8 60.9 -66.5 -17.0 4.2 36.3 12.3 78 78 A D G <4 S+ 0 0 63 -3,-1.8 2,-0.4 2,-0.0 -1,-0.3 0.652 94.6 78.0 -78.9 -20.7 5.5 35.9 8.6 79 79 A I << - 0 0 3 -3,-1.5 2,-0.6 -4,-0.6 -31,-0.2 -0.747 63.0-159.1 -97.5 138.6 9.1 35.7 9.8 80 80 A F E -d 48 0B 8 -33,-2.9 -31,-3.0 -2,-0.4 2,-0.5 -0.943 20.1-172.4-114.7 103.8 10.7 32.6 11.4 81 81 A Y E -d 49 0B 1 -2,-0.6 32,-1.8 -33,-0.2 31,-1.7 -0.877 3.9-167.4-107.4 127.2 13.7 33.9 13.3 82 82 A T E +de 50 113B 0 -33,-2.6 -31,-2.4 -2,-0.5 2,-0.3 -0.908 9.3 172.8-111.6 135.8 16.3 31.6 14.9 83 83 A S E - e 0 114B 0 30,-2.3 32,-1.9 -2,-0.4 2,-0.4 -0.822 18.5-137.6-126.5 179.1 19.0 32.3 17.4 84 84 A K E - e 0 115B 0 -2,-0.3 -31,-1.7 30,-0.2 2,-0.5 -0.998 14.0-120.8-144.2 140.5 21.4 30.0 19.3 85 85 A L E - e 0 116B 0 30,-3.1 32,-2.1 -2,-0.4 33,-0.4 -0.673 37.6-130.6 -76.4 120.1 22.9 29.6 22.7 86 86 A W > - 0 0 56 -2,-0.5 3,-2.1 30,-0.1 -1,-0.1 -0.346 20.9-108.2 -78.3 160.9 26.6 29.8 22.5 87 87 A S G > S+ 0 0 1 1,-0.3 35,-2.2 2,-0.2 3,-0.6 0.587 114.4 62.5 -72.3 -12.4 28.8 27.1 24.2 88 88 A T G 3 S+ 0 0 27 1,-0.2 -1,-0.3 33,-0.2 37,-0.3 0.394 100.8 57.4 -86.0 0.0 30.1 29.3 27.0 89 89 A F G < + 0 0 53 -3,-2.1 -1,-0.2 1,-0.1 -2,-0.2 0.052 69.0 110.2-117.1 21.7 26.4 29.7 28.2 90 90 A H < + 0 0 2 -3,-0.6 5,-0.1 32,-0.3 -1,-0.1 0.769 46.0 102.0 -70.4 -27.6 25.6 26.0 28.7 91 91 A R S >> S- 0 0 91 -3,-0.1 3,-2.6 1,-0.1 4,-0.5 -0.433 84.4-123.0 -59.7 129.7 25.4 26.2 32.5 92 92 A P H >> S+ 0 0 48 0, 0.0 3,-1.3 0, 0.0 4,-0.6 0.808 107.6 58.9 -52.3 -38.2 21.6 26.2 33.2 93 93 A E H 34 S+ 0 0 127 1,-0.2 -2,-0.1 2,-0.1 -3,-0.1 0.633 106.5 51.4 -65.6 -12.6 21.6 29.5 35.1 94 94 A L H <> S+ 0 0 55 -3,-2.6 4,-1.6 -5,-0.1 -1,-0.2 0.568 91.6 78.2 -98.6 -10.3 23.1 31.2 32.0 95 95 A V H S+ 0 0 67 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.891 108.1 55.0 -59.3 -34.7 19.7 35.4 30.4 98 98 A A H X S+ 0 0 11 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.911 110.9 44.8 -61.2 -41.8 21.5 34.5 27.2 99 99 A L H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.919 111.3 52.6 -67.1 -44.0 18.2 34.3 25.3 100 100 A E H X S+ 0 0 64 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.910 110.1 49.3 -57.7 -40.8 17.0 37.5 26.9 101 101 A N H X S+ 0 0 82 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.908 109.6 50.7 -66.3 -41.9 20.2 39.2 25.7 102 102 A S H X S+ 0 0 1 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.901 110.7 50.3 -59.3 -41.8 19.7 37.9 22.2 103 103 A L H X>S+ 0 0 1 -4,-2.6 5,-2.1 1,-0.2 4,-1.0 0.901 110.7 48.3 -64.4 -42.4 16.1 39.2 22.2 104 104 A K H <5S+ 0 0 103 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.870 109.5 53.1 -67.5 -36.1 17.2 42.6 23.4 105 105 A K H <5S+ 0 0 51 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.942 117.1 37.5 -60.0 -48.4 19.9 42.7 20.7 106 106 A A H <5S- 0 0 0 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.603 105.4-132.5 -77.9 -12.8 17.4 41.9 18.0 107 107 A Q T <5 + 0 0 124 -4,-1.0 2,-0.3 1,-0.2 -3,-0.2 0.894 60.5 136.7 54.3 45.2 14.8 44.1 19.7 108 108 A L < - 0 0 14 -5,-2.1 -1,-0.2 -6,-0.1 -2,-0.1 -0.850 59.7-137.7-115.8 154.2 12.2 41.3 19.3 109 109 A D S S+ 0 0 149 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.818 85.7 1.4 -78.5 -31.7 9.7 40.0 21.8 110 110 A Y - 0 0 41 -7,-0.1 2,-0.4 40,-0.0 -1,-0.2 -0.978 63.3-129.2-148.9 155.6 10.4 36.3 21.0 111 111 A V E - f 0 150B 0 38,-2.4 40,-2.4 -2,-0.3 41,-0.3 -0.855 17.6-139.2 -97.4 148.4 12.5 34.1 18.8 112 112 A D E S+ 0 0 17 -31,-1.7 40,-1.3 -2,-0.4 2,-0.4 0.829 89.3 16.9 -70.8 -29.8 10.7 31.5 16.7 113 113 A L E -ef 82 152B 2 -32,-1.8 -30,-2.3 38,-0.2 2,-0.4 -0.989 60.4-169.7-148.3 132.5 13.5 29.0 17.5 114 114 A Y E -ef 83 153B 1 38,-1.9 40,-2.2 -2,-0.4 2,-0.3 -0.992 17.9-170.4-122.2 127.1 16.3 28.8 20.0 115 115 A L E -ef 84 154B 0 -32,-1.9 -30,-3.1 -2,-0.4 2,-0.8 -0.866 34.4-119.4-114.4 147.7 19.0 26.2 19.6 116 116 A I E -ef 85 155B 0 38,-1.7 40,-1.0 -2,-0.3 -30,-0.1 -0.782 35.6-148.5 -71.0 114.9 21.8 24.8 21.6 117 117 A H - 0 0 17 -32,-2.1 -1,-0.2 -2,-0.8 -31,-0.1 0.848 67.8 -7.5 -59.2 -37.3 24.5 25.8 19.1 118 118 A S - 0 0 6 -33,-0.4 -1,-0.2 -3,-0.1 39,-0.2 -0.987 54.0-131.0-160.9 146.6 26.8 23.0 19.8 119 119 A P S S+ 0 0 0 0, 0.0 2,-1.5 0, 0.0 15,-0.1 0.546 83.5 99.8 -79.0 -5.6 27.2 20.1 22.3 120 120 A M - 0 0 22 185,-0.1 -33,-0.1 186,-0.1 11,-0.1 -0.609 68.7-152.2 -89.3 85.9 30.8 21.1 22.9 121 121 A S - 0 0 0 -2,-1.5 9,-2.1 9,-0.2 2,-0.3 -0.271 8.5-160.4 -61.8 138.5 30.6 23.1 26.1 122 122 A L B -J 129 0C 45 -35,-2.2 -32,-0.3 7,-0.3 7,-0.2 -0.920 33.5 -86.9-123.7 150.4 33.3 25.7 26.7 123 123 A K - 0 0 73 5,-2.7 7,-0.1 -2,-0.3 -35,-0.0 -0.208 56.6 -90.9 -64.3 140.2 34.2 27.2 30.0 124 124 A P S S- 0 0 52 0, 0.0 -1,-0.1 0, 0.0 -35,-0.1 -0.314 106.0 -2.5 -62.9 140.4 32.1 30.2 31.0 125 125 A G 0 0 49 -37,-0.3 0, 0.0 -3,-0.1 0, 0.0 0.179 360.0 360.0 40.3 177.6 33.9 32.9 29.6 126 126 A E 0 0 161 -4,-0.0 -1,-0.1 -2,-0.0 -3,-0.1 0.187 360.0 360.0-163.5 360.0 36.9 32.0 28.0 127 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 128 138 A I 0 0 121 0, 0.0 -5,-2.7 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 173.4 39.0 25.7 27.2 129 139 A F B -J 122 0C 78 -7,-0.2 2,-0.3 -6,-0.0 -7,-0.3 -0.479 360.0-163.2 -83.7 143.1 36.6 22.8 27.6 130 140 A D - 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0 0 41 -2,-0.2 4,-2.0 1,-0.1 5,-0.2 -0.826 29.9-112.1-116.9 157.8 23.5 26.2 -11.0 242 252 A P H > S+ 0 0 32 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.891 119.0 56.3 -55.8 -37.7 25.4 23.7 -8.8 243 253 A A H > S+ 0 0 11 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.929 106.4 48.8 -57.2 -47.7 24.1 25.6 -5.7 244 254 A L H > S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.878 109.8 51.9 -62.6 -36.9 20.5 25.2 -6.8 245 255 A I H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.937 110.1 49.4 -61.9 -45.9 21.1 21.5 -7.3 246 256 A A H X S+ 0 0 0 -4,-2.4 4,-1.1 1,-0.2 -2,-0.2 0.861 114.1 44.7 -62.3 -38.7 22.6 21.2 -3.8 247 257 A L H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 3,-0.3 0.918 112.1 51.3 -71.1 -42.4 19.6 23.0 -2.2 248 258 A R H X S+ 0 0 12 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.872 102.0 61.9 -64.7 -37.2 17.0 21.1 -4.2 249 259 A Y H X S+ 0 0 0 -4,-2.3 4,-0.8 1,-0.2 -1,-0.2 0.918 105.3 47.0 -51.1 -47.8 18.6 17.8 -3.1 250 260 A Q H ><>S+ 0 0 0 -4,-1.1 5,-2.6 -3,-0.3 3,-1.1 0.933 109.0 53.0 -65.5 -43.6 17.8 18.7 0.5 251 261 A L H ><5S+ 0 0 23 -4,-1.8 3,-1.4 1,-0.3 -1,-0.2 0.908 107.2 52.2 -59.4 -39.5 14.3 19.7 -0.1 252 262 A Q H 3<5S+ 0 0 63 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.660 107.9 52.2 -74.3 -13.5 13.5 16.5 -1.9 253 263 A R T <<5S- 0 0 34 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.408 120.5-108.5 -92.9 -4.2 14.9 14.5 1.1 254 264 A G T < 5S+ 0 0 54 -3,-1.4 2,-0.4 -4,-0.5 -51,-0.4 0.743 73.6 141.6 77.4 25.1 12.6 16.4 3.5 255 265 A V < - 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