==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE, LYASE 27-OCT-08 3F0Z . COMPND 2 MOLECULE: 8-OXOGUANINE-DNA-GLYCOSYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM ACETOBUTYLICUM; . AUTHOR F.FAUCHER,S.DOUBLIE . 285 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13526.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 200 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 11.2 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 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 . 15 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 106 37.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.8 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 2 2 2 0 2 1 1 2 3 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 X 0 0 117 0, 0.0 81,-0.2 0, 0.0 83,-0.1 0.000 360.0 360.0 360.0 143.5 23.6 0.5 50.0 2 2 A D + 0 0 3 79,-2.5 17,-2.5 81,-0.2 2,-0.3 -0.140 360.0 54.4 -96.7 38.2 23.3 4.2 49.5 3 3 A F - 0 0 16 15,-0.3 15,-0.2 78,-0.1 14,-0.2 -0.962 68.3-140.2-161.0 155.4 20.0 4.5 51.2 4 4 A D - 0 0 111 12,-2.3 2,-0.3 1,-0.3 13,-0.2 0.874 69.3 -45.4 -89.6 -43.8 18.5 3.6 54.6 5 5 A X E -A 16 0A 93 11,-1.0 11,-3.0 2,-0.0 -1,-0.3 -0.966 50.0-115.1-174.7 173.9 15.0 2.3 53.7 6 6 A I E -A 15 0A 25 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.892 11.3-154.4-126.7 157.4 11.9 3.1 51.7 7 7 A E E -A 14 0A 56 7,-2.0 7,-2.8 -2,-0.3 2,-0.4 -0.995 18.7-135.7-131.8 123.2 8.3 4.0 52.7 8 8 A E E -A 13 0A 102 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.653 26.4-176.2 -82.1 132.6 5.5 3.3 50.3 9 9 A K E > -A 12 0A 93 3,-3.5 3,-0.5 -2,-0.4 59,-0.1 -0.587 43.3 -78.3-116.4-177.9 2.9 6.1 49.8 10 10 A K T 3 S- 0 0 188 1,-0.2 -2,-0.0 -2,-0.2 -1,-0.0 0.933 122.0 -2.1 -46.1 -66.8 -0.3 6.4 47.9 11 11 A D T 3 S+ 0 0 113 56,-0.0 54,-2.9 -3,-0.0 2,-0.3 -0.080 131.5 41.3-120.7 33.3 1.1 7.0 44.4 12 12 A S E < -AB 9 64A 15 -3,-0.5 -3,-3.5 52,-0.2 2,-0.4 -0.984 65.2-124.4-165.5 174.0 4.8 7.0 45.2 13 13 A V E -AB 8 63A 0 50,-2.1 50,-3.2 -2,-0.3 2,-0.6 -0.994 19.0-148.3-130.4 133.2 7.7 5.6 47.1 14 14 A I E -AB 7 62A 22 -7,-2.8 -7,-2.0 -2,-0.4 2,-0.8 -0.924 6.1-151.8-106.8 120.5 10.0 7.7 49.4 15 15 A V E -AB 6 61A 2 46,-3.5 46,-2.4 -2,-0.6 3,-0.4 -0.825 24.1-139.6 -90.4 111.4 13.6 6.5 49.5 16 16 A R E -A 5 0A 60 -11,-3.0 -12,-2.3 -2,-0.8 -11,-1.0 -0.565 63.9 -10.0 -82.2 135.2 14.8 7.6 53.0 17 17 A N S S- 0 0 83 -2,-0.3 -13,-0.2 -14,-0.2 43,-0.2 0.926 77.0-171.3 47.2 67.9 18.2 9.1 53.7 18 18 A V - 0 0 3 41,-2.5 2,-0.3 -3,-0.4 -15,-0.3 -0.487 8.0-148.3 -83.9 156.5 20.0 8.5 50.4 19 19 A E S S+ 0 0 110 -17,-2.5 66,-0.2 1,-0.2 3,-0.1 -0.943 72.3 11.1-126.1 147.6 23.7 9.1 49.9 20 20 A N S S+ 0 0 19 -2,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.957 94.0 127.6 52.0 56.6 25.7 10.2 46.9 21 21 A F + 0 0 3 -3,-0.2 2,-0.4 88,-0.0 87,-0.2 -0.822 22.6 155.6-150.2 103.0 22.4 11.1 45.1 22 22 A E > - 0 0 71 85,-1.9 4,-2.1 -2,-0.3 5,-0.2 -0.999 36.0-139.4-130.8 130.3 21.7 14.4 43.4 23 23 A L H > S+ 0 0 16 -2,-0.4 4,-2.9 1,-0.2 5,-0.4 0.901 101.1 46.6 -54.9 -51.6 19.2 14.8 40.6 24 24 A K H > S+ 0 0 107 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.908 112.3 51.8 -60.3 -41.8 21.1 17.2 38.4 25 25 A D H 4 S+ 0 0 18 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.877 116.9 39.3 -62.1 -39.4 24.3 15.2 38.7 26 26 A I H >< S+ 0 0 0 -4,-2.1 3,-0.5 81,-0.2 5,-0.4 0.954 124.8 33.6 -75.8 -52.3 22.5 12.0 37.7 27 27 A F H 3< S+ 0 0 6 -4,-2.9 5,-0.2 1,-0.2 3,-0.2 0.638 121.2 45.2 -83.0 -16.2 20.2 13.2 34.9 28 28 A D T 3< S+ 0 0 63 -4,-2.2 -1,-0.2 -5,-0.4 -2,-0.1 0.238 82.7 90.6-113.6 15.4 22.4 16.0 33.4 29 29 A C S < S- 0 0 19 -3,-0.5 -1,-0.1 -4,-0.3 -2,-0.1 0.301 104.8-101.8 -92.3 11.0 25.8 14.3 33.2 30 30 A G S S+ 0 0 43 -3,-0.2 -3,-0.1 2,-0.2 -2,-0.1 0.529 93.1 110.1 86.6 8.6 25.1 13.1 29.6 31 31 A Q S S+ 0 0 0 -5,-0.4 2,-0.3 248,-0.0 -4,-0.1 0.624 75.6 39.9 -91.2 -14.8 24.3 9.4 30.3 32 32 A C - 0 0 12 -5,-0.2 -2,-0.2 -6,-0.1 -1,-0.0 -0.923 50.1-168.3-134.1 160.8 20.5 9.5 29.6 33 33 A F S S+ 0 0 18 -2,-0.3 -1,-0.1 100,-0.1 104,-0.0 0.625 78.4 62.7-120.9 -21.1 18.2 11.1 27.0 34 34 A R S S+ 0 0 19 12,-0.1 12,-1.0 103,-0.0 2,-0.4 0.114 87.2 83.9 -98.7 24.2 14.6 10.7 28.2 35 35 A W E +C 45 0A 6 10,-0.2 2,-0.3 -8,-0.2 10,-0.2 -0.932 49.1 167.2-122.2 147.2 14.9 12.7 31.4 36 36 A H E -C 44 0A 103 8,-1.6 8,-2.0 -2,-0.4 2,-0.3 -0.975 37.1-104.2-160.1 147.3 14.5 16.4 31.9 37 37 A R E -C 43 0A 148 -2,-0.3 6,-0.2 6,-0.2 2,-0.2 -0.539 35.7-141.2 -72.9 131.5 14.1 18.9 34.7 38 38 A Q > - 0 0 35 4,-3.5 3,-2.6 -2,-0.3 -1,-0.1 -0.489 29.5 -99.5 -90.6 163.7 10.7 20.4 35.1 39 39 A E T 3 S+ 0 0 188 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.831 123.6 53.7 -49.0 -37.0 9.8 24.0 36.0 40 40 A N T 3 S- 0 0 92 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.474 120.6-104.9 -81.8 -1.6 9.2 22.9 39.6 41 41 A G S < S+ 0 0 19 -3,-2.6 -2,-0.1 1,-0.4 2,-0.1 0.222 83.3 119.1 100.7 -17.9 12.6 21.2 40.0 42 42 A N - 0 0 15 13,-0.1 -4,-3.5 -5,-0.1 -1,-0.4 -0.459 59.6-129.5 -78.4 157.4 11.5 17.6 39.8 43 43 A Y E -CD 37 54A 4 11,-2.4 11,-3.1 -6,-0.2 2,-0.4 -0.863 18.6-163.4-108.5 144.0 12.8 15.4 37.0 44 44 A I E +CD 36 53A 6 -8,-2.0 -8,-1.6 -2,-0.4 2,-0.3 -0.986 16.8 162.0-127.4 137.8 10.5 13.4 34.8 45 45 A G E -CD 35 52A 2 7,-2.6 7,-2.8 -2,-0.4 2,-0.5 -0.946 34.0-127.3-149.3 170.5 11.5 10.5 32.6 46 46 A I E + D 0 51A 16 -12,-1.0 2,-0.3 -2,-0.3 5,-0.2 -0.976 41.3 143.6-126.6 117.1 10.5 7.5 30.6 47 47 A A E > + D 0 50A 7 3,-2.0 3,-1.0 -2,-0.5 -2,-0.1 -0.989 62.2 12.5-151.9 149.1 12.2 4.2 31.2 48 48 A F T 3 S- 0 0 92 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.898 129.3 -60.2 47.0 48.8 11.2 0.5 31.3 49 49 A E T 3 S+ 0 0 92 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.825 115.9 109.1 50.4 40.7 7.8 1.5 29.7 50 50 A K E < -D 47 0A 48 -3,-1.0 -3,-2.0 106,-0.1 2,-0.6 -0.995 66.4-133.4-145.1 145.6 7.0 3.7 32.6 51 51 A V E -D 46 0A 4 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.895 34.5-176.2 -98.4 124.3 6.7 7.5 33.2 52 52 A V E -D 45 0A 0 -7,-2.8 -7,-2.6 -2,-0.6 2,-0.4 -0.950 17.5-159.4-126.7 144.7 8.5 8.4 36.4 53 53 A E E -DE 44 64A 9 11,-1.2 11,-3.2 -2,-0.4 2,-0.4 -0.979 11.9-164.2-121.8 133.7 8.9 11.6 38.4 54 54 A V E +DE 43 63A 0 -11,-3.1 -11,-2.4 -2,-0.4 2,-0.4 -0.959 10.7 172.6-124.0 136.4 11.7 12.1 40.9 55 55 A Q E - E 0 62A 51 7,-2.4 7,-4.0 -2,-0.4 2,-0.5 -1.000 20.1-145.7-140.6 138.4 12.1 14.7 43.6 56 56 A K E - E 0 61A 45 -2,-0.4 2,-0.5 5,-0.2 5,-0.2 -0.912 13.8-177.0-107.7 129.8 14.6 15.2 46.3 57 57 A I E > - E 0 60A 92 3,-2.6 3,-2.3 -2,-0.5 2,-0.3 -0.946 62.7 -57.0-124.4 105.7 13.5 16.7 49.6 58 58 A G T 3 S- 0 0 60 -2,-0.5 -2,-0.0 1,-0.3 0, 0.0 -0.444 123.2 -13.0 63.0-117.8 16.3 17.1 52.1 59 59 A E T 3 S+ 0 0 118 -2,-0.3 -41,-2.5 -3,-0.1 2,-0.3 0.432 124.0 82.3 -95.9 -1.0 18.0 13.7 52.5 60 60 A D E < - E 0 57A 28 -3,-2.3 -3,-2.6 -43,-0.2 2,-0.5 -0.743 63.2-146.1-109.7 155.3 15.2 11.8 50.9 61 61 A V E -BE 15 56A 1 -46,-2.4 -46,-3.5 -2,-0.3 2,-0.6 -0.971 11.5-153.4-118.6 123.6 14.3 11.0 47.3 62 62 A V E -BE 14 55A 7 -7,-4.0 -7,-2.4 -2,-0.5 2,-0.7 -0.858 5.1-164.3 -99.6 124.5 10.6 10.7 46.2 63 63 A I E > -BE 13 54A 1 -50,-3.2 -50,-2.1 -2,-0.6 3,-0.6 -0.915 13.6-153.2-109.8 107.1 9.9 8.5 43.2 64 64 A Y E 3 +BE 12 53A 65 -11,-3.2 -11,-1.2 -2,-0.7 -52,-0.2 -0.506 68.6 25.9 -82.4 147.6 6.4 9.2 41.9 65 65 A N T 3 S+ 0 0 53 -54,-2.9 2,-0.3 1,-0.3 -1,-0.2 0.649 100.6 90.5 79.1 20.1 4.3 6.7 40.0 66 66 A I < - 0 0 5 -3,-0.6 -1,-0.3 -55,-0.3 2,-0.2 -0.947 57.6-146.4-138.9 160.8 5.8 3.5 41.5 67 67 A N > - 0 0 63 -2,-0.3 4,-1.8 -3,-0.1 5,-0.2 -0.558 40.5 -87.1-115.9-176.6 5.1 1.2 44.4 68 68 A E H > S+ 0 0 76 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.909 124.1 52.7 -61.0 -44.5 7.4 -0.9 46.7 69 69 A E H > S+ 0 0 107 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.924 110.1 47.9 -57.3 -46.9 7.4 -3.9 44.5 70 70 A E H >>S+ 0 0 53 1,-0.2 4,-2.7 2,-0.2 5,-1.9 0.841 110.2 52.9 -64.5 -33.8 8.5 -1.9 41.5 71 71 A F H <>S+ 0 0 3 -4,-1.8 5,-2.9 3,-0.2 6,-0.4 0.938 112.5 44.8 -66.6 -45.1 11.2 -0.3 43.5 72 72 A K H <5S+ 0 0 88 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.909 123.3 34.7 -64.2 -43.4 12.5 -3.7 44.6 73 73 A N H <5S+ 0 0 113 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.796 137.7 1.1 -84.4 -30.8 12.3 -5.2 41.1 74 74 A V T X5S+ 0 0 48 -4,-2.7 4,-2.1 -5,-0.2 -3,-0.2 0.755 121.8 45.9-124.7 -54.1 13.2 -2.3 38.9 75 75 A W H >45S+ 0 0 76 -6,-0.4 3,-2.0 3,-0.2 35,-0.3 0.886 108.2 59.9 -74.7 -42.2 18.6 -1.3 40.4 78 78 A Y H 3<5S+ 0 0 4 -4,-2.1 34,-2.2 1,-0.3 -2,-0.2 0.917 110.7 42.0 -52.4 -45.9 18.0 1.5 37.9 79 79 A F T 3<5S- 0 0 0 -4,-2.2 -1,-0.3 32,-0.2 -2,-0.2 0.316 109.0-126.0 -86.8 9.9 19.5 4.0 40.3 80 80 A D T X 5 + 0 0 0 -3,-2.0 3,-1.5 1,-0.1 -3,-0.2 0.842 49.3 163.6 49.2 41.0 22.3 1.5 41.2 81 81 A L T 3 < + 0 0 0 -5,-2.4 -79,-2.5 1,-0.3 -78,-0.1 0.562 62.4 61.7 -67.4 -10.9 21.3 2.0 44.9 82 82 A Y T 3 S+ 0 0 105 -6,-0.3 2,-0.4 -81,-0.2 -1,-0.3 0.467 85.1 91.7 -94.7 -1.6 23.2 -1.1 46.1 83 83 A R S < S- 0 0 64 -3,-1.5 2,-1.1 -81,-0.0 -81,-0.2 -0.783 78.2-129.7 -94.5 135.1 26.6 0.2 45.0 84 84 A D > + 0 0 79 -2,-0.4 4,-1.3 1,-0.2 3,-0.5 -0.714 26.3 179.1 -85.7 98.0 28.6 2.2 47.6 85 85 A Y H > S+ 0 0 0 -2,-1.1 4,-2.6 1,-0.2 5,-0.2 0.696 76.2 68.9 -74.6 -15.9 29.6 5.4 45.7 86 86 A G H > S+ 0 0 33 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.891 103.0 46.3 -66.1 -35.3 31.4 6.7 48.8 87 87 A E H > S+ 0 0 88 -3,-0.5 4,-2.3 2,-0.2 -2,-0.2 0.883 109.9 52.5 -72.9 -40.4 33.9 4.0 48.2 88 88 A I H X S+ 0 0 0 -4,-1.3 4,-2.3 1,-0.2 5,-0.2 0.954 111.4 46.9 -59.8 -49.3 34.2 4.7 44.4 89 89 A K H X S+ 0 0 24 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.824 109.2 54.7 -62.6 -32.9 34.9 8.4 45.1 90 90 A K H < S+ 0 0 159 -4,-1.4 -1,-0.2 2,-0.2 -2,-0.2 0.945 109.9 46.6 -65.7 -47.6 37.4 7.5 47.8 91 91 A E H >< S+ 0 0 69 -4,-2.3 3,-1.3 1,-0.2 -2,-0.2 0.896 112.5 49.1 -61.5 -42.8 39.3 5.3 45.3 92 92 A L H >< S+ 0 0 10 -4,-2.3 3,-1.8 1,-0.3 7,-0.3 0.781 94.2 76.9 -68.4 -26.1 39.2 7.9 42.6 93 93 A S T 3< + 0 0 36 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.503 67.8 86.6 -64.7 -2.2 40.4 10.5 45.0 94 94 A R T < S+ 0 0 201 -3,-1.3 -1,-0.3 -4,-0.1 -2,-0.1 0.558 84.7 66.8 -73.4 -5.4 43.9 9.1 44.7 95 95 A D S <> S- 0 0 29 -3,-1.8 4,-2.5 1,-0.1 5,-0.2 -0.978 85.7-140.4-115.1 124.4 44.1 11.5 41.7 96 96 A P H > S+ 0 0 107 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.851 100.0 44.5 -53.5 -43.8 44.0 15.2 42.7 97 97 A L H > S+ 0 0 46 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.880 112.1 52.2 -73.1 -35.9 41.7 16.4 39.9 98 98 A L H > S+ 0 0 3 -6,-0.2 4,-3.6 2,-0.2 5,-0.3 0.922 107.8 53.0 -64.2 -40.7 39.3 13.5 40.3 99 99 A K H X S+ 0 0 89 -4,-2.5 4,-1.8 -7,-0.3 -2,-0.2 0.953 109.9 47.5 -57.2 -47.5 39.1 14.3 44.0 100 100 A K H X S+ 0 0 111 -4,-1.9 4,-1.2 1,-0.2 -1,-0.2 0.873 114.8 48.6 -60.4 -36.4 38.2 17.9 43.0 101 101 A S H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.908 108.0 50.3 -71.7 -46.0 35.7 16.4 40.5 102 102 A V H < S+ 0 0 3 -4,-3.6 -1,-0.2 1,-0.2 -2,-0.2 0.814 108.2 55.2 -64.8 -28.4 33.9 14.0 42.9 103 103 A D H >< S+ 0 0 88 -4,-1.8 3,-0.6 -5,-0.3 -1,-0.2 0.889 112.7 42.9 -69.7 -36.6 33.5 16.8 45.4 104 104 A F H 3< S+ 0 0 112 -4,-1.2 2,-0.6 1,-0.2 3,-0.2 0.942 124.0 33.1 -73.0 -52.2 31.7 18.8 42.7 105 105 A G T >< S+ 0 0 0 -4,-2.9 3,-1.4 1,-0.2 -1,-0.2 -0.444 76.1 149.7-102.7 59.1 29.5 16.1 41.3 106 106 A E T < + 0 0 64 -3,-0.6 -1,-0.2 -2,-0.6 -2,-0.1 0.694 65.6 55.6 -66.4 -19.8 29.1 14.3 44.5 107 107 A G T 3 S+ 0 0 0 -3,-0.2 -85,-1.9 -87,-0.1 -1,-0.3 0.180 75.8 130.0-100.7 18.3 25.6 13.0 43.7 108 108 A I < + 0 0 1 -3,-1.4 2,-0.3 -87,-0.2 -82,-0.1 -0.481 27.2 171.7 -74.1 141.0 26.5 11.2 40.4 109 109 A R - 0 0 0 -2,-0.2 2,-0.8 -87,-0.1 -29,-0.1 -0.983 33.9-122.9-144.9 142.4 25.4 7.6 40.0 110 110 A I - 0 0 1 -2,-0.3 -84,-0.1 -30,-0.1 166,-0.0 -0.812 32.3-136.3 -91.8 112.8 25.6 5.5 36.8 111 111 A L - 0 0 0 -2,-0.8 2,-1.0 -85,-0.2 -32,-0.2 -0.272 7.6-128.0 -65.9 151.3 22.1 4.4 36.0 112 112 A R - 0 0 77 -34,-2.2 119,-0.2 -35,-0.3 2,-0.1 -0.792 42.9-179.4-102.2 88.3 21.5 0.7 34.9 113 113 A Q - 0 0 10 117,-2.5 -66,-0.0 -2,-1.0 -81,-0.0 -0.402 35.3 -80.3 -90.4 165.5 19.6 1.4 31.7 114 114 A D > - 0 0 61 1,-0.1 4,-2.5 -2,-0.1 5,-0.2 -0.469 32.6-141.6 -68.0 122.9 18.0 -1.0 29.1 115 115 A P H > S+ 0 0 15 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.893 98.3 49.6 -50.2 -48.7 20.6 -2.4 26.7 116 116 A F H > S+ 0 0 22 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.943 113.5 43.6 -60.5 -50.3 18.3 -2.2 23.7 117 117 A E H > S+ 0 0 19 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.890 116.4 49.0 -61.6 -40.4 17.1 1.4 24.2 118 118 A I H X S+ 0 0 1 -4,-2.5 4,-2.7 2,-0.2 5,-0.3 0.898 106.6 55.6 -66.7 -42.2 20.7 2.4 24.9 119 119 A L H X S+ 0 0 0 -4,-2.8 4,-1.1 -5,-0.2 -2,-0.2 0.964 116.7 36.0 -54.5 -55.6 22.1 0.7 21.8 120 120 A L H X S+ 0 0 1 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.903 115.3 55.8 -66.1 -42.9 19.7 2.6 19.5 121 121 A S H X S+ 0 0 1 -4,-2.8 4,-1.3 -5,-0.2 -2,-0.2 0.910 111.2 42.6 -58.6 -45.0 19.9 5.8 21.5 122 122 A F H X S+ 0 0 8 -4,-2.7 4,-0.7 2,-0.2 -1,-0.2 0.713 108.4 57.2 -79.2 -17.2 23.7 6.1 21.4 123 123 A I H >< S+ 0 0 0 -4,-1.1 3,-0.9 -5,-0.3 -1,-0.2 0.915 110.3 47.6 -71.3 -41.2 23.9 5.1 17.7 124 124 A I H 3< S+ 0 0 0 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.834 105.0 61.5 -64.0 -32.7 21.5 8.1 17.2 125 125 A S H >< S+ 0 0 23 -4,-1.3 3,-2.0 -5,-0.2 -1,-0.2 0.689 72.2 121.7 -69.8 -20.8 23.8 10.2 19.4 126 126 A A T << S- 0 0 20 -3,-0.9 3,-0.1 -4,-0.7 54,-0.1 -0.232 97.4 -18.6 -50.7 122.0 26.9 9.9 17.1 127 127 A N T 3 S+ 0 0 137 1,-0.2 -1,-0.3 0, 0.0 2,-0.3 0.863 115.9 124.8 43.7 46.3 28.0 13.3 16.0 128 128 A N < - 0 0 38 -3,-2.0 2,-0.3 3,-0.0 -1,-0.2 -0.844 62.3-114.9-130.8 164.8 24.6 14.6 17.1 129 129 A R >> - 0 0 153 -2,-0.3 4,-2.1 -3,-0.1 3,-0.7 -0.788 27.9-119.0-101.4 144.9 23.1 17.3 19.4 130 130 A I H 3> S+ 0 0 94 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.869 112.5 54.6 -49.3 -46.7 21.0 16.4 22.4 131 131 A P H 3> S+ 0 0 78 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.905 111.9 45.5 -57.1 -39.4 17.8 18.2 21.2 132 132 A X H <> S+ 0 0 47 -3,-0.7 4,-2.3 2,-0.2 -2,-0.2 0.826 111.3 52.4 -71.4 -33.6 18.0 16.2 17.9 133 133 A I H X S+ 0 0 5 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.938 111.0 46.5 -68.2 -46.4 18.7 12.9 19.8 134 134 A K H X S+ 0 0 61 -4,-2.8 4,-3.0 1,-0.2 5,-0.2 0.927 112.1 52.1 -60.2 -45.6 15.6 13.5 22.1 135 135 A K H X S+ 0 0 95 -4,-2.1 4,-2.9 -5,-0.3 -1,-0.2 0.926 110.8 46.3 -57.0 -49.0 13.5 14.3 19.0 136 136 A C H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.927 114.0 47.9 -61.6 -46.0 14.5 11.2 17.1 137 137 A I H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.914 114.0 48.2 -61.0 -42.8 13.9 9.0 20.2 138 138 A N H X S+ 0 0 79 -4,-3.0 4,-2.8 -5,-0.2 5,-0.2 0.924 110.9 49.5 -63.8 -45.9 10.5 10.7 20.8 139 139 A N H X S+ 0 0 48 -4,-2.9 4,-2.0 36,-0.3 -2,-0.2 0.940 112.3 48.0 -58.9 -48.1 9.4 10.3 17.1 140 140 A I H X S+ 0 0 2 -4,-2.5 4,-2.1 35,-0.2 5,-0.3 0.899 114.4 46.7 -59.5 -42.4 10.4 6.6 17.1 141 141 A S H X S+ 0 0 0 -4,-2.2 4,-3.3 2,-0.2 -1,-0.2 0.891 110.0 51.3 -69.4 -41.5 8.5 6.0 20.4 142 142 A E H < S+ 0 0 112 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.876 113.7 46.7 -63.8 -35.4 5.4 7.9 19.4 143 143 A K H < S+ 0 0 136 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.886 137.3 3.2 -74.7 -40.4 5.2 5.9 16.1 144 144 A A H < S+ 0 0 17 -4,-2.1 16,-0.4 -5,-0.2 -3,-0.2 0.381 102.3 103.9-130.6 5.5 5.8 2.4 17.7 145 145 A G S < S- 0 0 15 -4,-3.3 2,-0.2 -5,-0.3 13,-0.1 -0.522 78.9 -90.6 -91.4 159.7 6.0 2.7 21.4 146 146 A K - 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0 0 67 -2,-0.1 4,-1.5 1,-0.1 3,-0.3 -0.577 31.9-102.6 -99.4 169.4 12.3 0.7 6.8 169 169 A E H > S+ 0 0 79 1,-0.2 4,-2.1 -2,-0.2 3,-0.2 0.908 125.6 56.1 -58.2 -39.6 15.5 2.7 6.5 170 170 A K H > S+ 0 0 134 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.852 100.5 57.6 -61.5 -36.5 13.3 5.5 5.2 171 171 A D H > S+ 0 0 52 -3,-0.3 4,-1.0 2,-0.2 -1,-0.2 0.906 107.7 46.5 -61.5 -42.0 11.1 5.4 8.3 172 172 A F H ><>S+ 0 0 1 -4,-1.5 5,-1.9 2,-0.2 3,-0.6 0.920 109.4 54.7 -66.3 -40.9 14.1 6.1 10.5 173 173 A E H ><5S+ 0 0 106 -4,-2.1 3,-1.3 1,-0.3 5,-0.5 0.908 108.2 49.5 -57.1 -42.4 15.2 8.9 8.2 174 174 A E H 3<5S+ 0 0 119 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.724 103.7 58.2 -71.2 -21.1 11.7 10.5 8.6 175 175 A C T <<5S- 0 0 0 -4,-1.0 -1,-0.3 -3,-0.6 -36,-0.3 0.464 127.5-105.0 -84.1 -1.5 12.0 10.1 12.4 176 176 A T T < 5S+ 0 0 37 -3,-1.3 -3,-0.2 -4,-0.3 -40,-0.2 0.730 79.0 135.7 84.0 34.7 15.2 12.3 11.8 177 177 A A > < - 0 0 0 -5,-1.9 3,-2.0 1,-0.2 -4,-0.2 0.618 42.5-168.4 -81.1 -12.3 18.0 9.8 12.2 178 178 A G G > - 0 0 34 -5,-0.5 3,-1.9 1,-0.3 4,-0.2 -0.332 67.2 -6.2 61.1-137.2 19.7 11.3 9.2 179 179 A F G 3 S+ 0 0 112 1,-0.3 3,-0.5 2,-0.1 4,-0.4 0.592 130.2 71.1 -65.7 -9.4 22.6 9.3 7.8 180 180 A R G <> S+ 0 0 17 -3,-2.0 4,-2.5 1,-0.2 -1,-0.3 0.558 70.9 90.2 -84.0 -8.7 22.2 7.1 10.9 181 181 A A H <> S+ 0 0 1 -3,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.873 86.3 49.9 -54.6 -42.0 19.0 5.6 9.5 182 182 A K H > S+ 0 0 108 -3,-0.5 4,-2.3 -4,-0.2 -1,-0.2 0.885 109.6 51.3 -66.8 -37.5 20.9 2.8 7.8 183 183 A Y H > S+ 0 0 77 -4,-0.4 4,-2.6 1,-0.2 -2,-0.2 0.920 111.4 47.8 -64.5 -44.1 22.7 2.0 11.0 184 184 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.917 111.8 48.7 -63.4 -45.8 19.5 1.8 13.0 185 185 A K H X S+ 0 0 44 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.962 114.4 45.1 -60.2 -51.5 17.7 -0.4 10.4 186 186 A D H X S+ 0 0 43 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.930 115.4 47.4 -58.3 -47.4 20.6 -2.8 10.2 187 187 A T H X S+ 0 0 0 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.2 0.903 110.5 50.6 -62.6 -44.2 21.1 -2.9 14.0 188 188 A V H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.921 110.9 50.8 -60.6 -42.6 17.4 -3.4 14.7 189 189 A D H X S+ 0 0 36 -4,-2.4 4,-2.9 -5,-0.2 6,-0.3 0.892 108.4 50.9 -63.8 -39.5 17.3 -6.3 12.2 190 190 A R H <>S+ 0 0 44 -4,-2.2 5,-1.6 2,-0.2 6,-1.1 0.891 112.6 46.6 -65.7 -38.1 20.4 -8.0 13.7 191 191 A I H ><5S+ 0 0 28 -4,-2.0 3,-1.0 3,-0.2 -2,-0.2 0.949 114.5 47.3 -66.6 -48.5 18.8 -7.8 17.2 192 192 A Y H 3<5S+ 0 0 104 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.933 114.7 45.5 -58.0 -49.1 15.4 -9.1 15.9 193 193 A N T 3<5S- 0 0 100 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.500 111.1-120.7 -75.4 -3.8 17.0 -12.0 13.9 194 194 A G T < 5S+ 0 0 52 -3,-1.0 -3,-0.2 -4,-0.5 -4,-0.1 0.623 71.0 135.2 74.7 13.7 19.2 -12.9 16.9 195 195 A E S - 0 0 79 -2,-0.4 4,-2.9 1,-0.2 5,-0.2 -0.890 5.6-165.4-107.8 109.2 22.6 -11.2 21.5 198 198 A L H > S+ 0 0 8 -2,-0.6 4,-2.7 1,-0.2 5,-0.2 0.886 91.8 51.0 -60.7 -41.5 22.6 -8.3 23.9 199 199 A E H > S+ 0 0 142 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.906 113.3 47.0 -63.5 -38.4 22.1 -10.4 27.0 200 200 A Y H >4 S+ 0 0 128 2,-0.2 3,-0.7 1,-0.2 4,-0.3 0.937 112.2 48.8 -67.3 -46.0 25.0 -12.6 25.9 201 201 A I H >< S+ 0 0 1 -4,-2.9 3,-1.6 1,-0.2 -2,-0.2 0.894 107.6 55.8 -60.2 -39.5 27.2 -9.6 25.1 202 202 A K H 3< S+ 0 0 68 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.756 100.6 59.8 -65.7 -23.2 26.4 -8.1 28.5 203 203 A S T << S+ 0 0 82 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.499 89.6 93.8 -83.8 -3.3 27.6 -11.3 30.2 204 204 A L S < S- 0 0 25 -3,-1.6 2,-0.0 -4,-0.3 -3,-0.0 -0.456 87.1 -94.3 -86.7 162.7 31.1 -10.9 28.7 205 205 A N > - 0 0 110 -2,-0.1 4,-3.1 1,-0.1 5,-0.3 -0.325 48.5 -92.4 -70.8 159.2 34.0 -9.2 30.4 206 206 A D H > S+ 0 0 43 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.843 122.7 41.4 -36.7 -59.5 34.6 -5.5 29.7 207 207 A N H > S+ 0 0 87 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.891 117.8 44.6 -63.8 -43.7 37.1 -6.0 26.8 208 208 A E H > S+ 0 0 103 -3,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.873 112.3 54.0 -69.4 -34.3 35.3 -8.8 25.1 209 209 A C H X S+ 0 0 0 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.919 106.7 52.3 -62.2 -44.3 32.0 -7.0 25.5 210 210 A H H X S+ 0 0 3 -4,-2.2 4,-1.5 -5,-0.3 -1,-0.2 0.876 108.5 50.2 -59.6 -42.1 33.5 -4.0 23.8 211 211 A E H < S+ 0 0 104 -4,-1.7 4,-0.3 2,-0.2 -1,-0.2 0.899 110.2 48.7 -67.0 -41.8 34.6 -6.0 20.8 212 212 A E H >< S+ 0 0 45 -4,-2.0 3,-1.9 1,-0.2 4,-0.3 0.934 108.3 55.1 -64.0 -43.8 31.2 -7.6 20.3 213 213 A L H >< S+ 0 0 0 -4,-2.3 3,-1.8 1,-0.3 -1,-0.2 0.857 99.1 61.6 -57.3 -37.7 29.4 -4.3 20.5 214 214 A K T 3< S+ 0 0 72 -4,-1.5 -1,-0.3 1,-0.3 5,-0.2 0.573 85.4 76.5 -68.6 -7.2 31.6 -2.8 17.7 215 215 A K T < S+ 0 0 114 -3,-1.9 -1,-0.3 -4,-0.3 2,-0.2 0.714 77.0 96.3 -74.4 -18.5 30.3 -5.4 15.3 216 216 A F S X S- 0 0 4 -3,-1.8 3,-1.7 -4,-0.3 2,-0.3 -0.494 87.3-112.2 -73.3 139.5 27.1 -3.3 15.1 217 217 A X T 3 S+ 0 0 62 1,-0.3 -30,-0.2 -34,-0.2 -1,-0.1 -0.537 106.5 25.6 -70.3 131.0 26.8 -0.9 12.2 218 218 A G T 3 S+ 0 0 22 -2,-0.3 2,-0.5 1,-0.1 -1,-0.3 0.522 99.2 109.1 92.3 6.4 27.0 2.6 13.6 219 219 A V < + 0 0 9 -3,-1.7 -1,-0.1 -5,-0.2 -3,-0.1 -0.891 36.6 161.9-124.2 104.1 28.9 1.5 16.7 220 220 A G > - 0 0 33 -2,-0.5 4,-2.8 -3,-0.1 5,-0.2 -0.327 60.5 -73.2-101.8-171.0 32.6 2.5 17.0 221 221 A P H > S+ 0 0 54 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.901 130.6 49.9 -50.2 -49.8 34.8 2.6 20.2 222 222 A K H > S+ 0 0 72 18,-0.2 4,-1.8 2,-0.2 5,-0.1 0.958 115.2 40.2 -55.7 -59.1 33.1 5.7 21.6 223 223 A V H > S+ 0 0 7 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.884 113.4 55.9 -61.3 -39.1 29.5 4.4 21.2 224 224 A A H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.915 106.8 50.2 -61.1 -42.0 30.4 0.9 22.3 225 225 A D H X S+ 0 0 0 -4,-2.4 4,-2.0 -5,-0.2 5,-0.2 0.894 110.6 49.1 -63.9 -39.4 31.9 2.3 25.6 226 226 A C H X S+ 0 0 16 -4,-1.8 4,-2.9 2,-0.2 5,-0.3 0.955 111.8 49.7 -63.5 -48.6 28.7 4.3 26.2 227 227 A I H X S+ 0 0 0 -4,-2.7 4,-1.7 1,-0.2 5,-0.4 0.922 115.2 41.2 -57.4 -48.4 26.5 1.3 25.6 228 228 A X H X S+ 0 0 0 -4,-2.5 6,-2.2 3,-0.2 4,-0.8 0.817 117.5 47.9 -74.7 -26.9 28.4 -1.0 27.9 229 229 A L H X S+ 0 0 0 -4,-2.0 4,-0.6 -5,-0.2 -2,-0.2 0.952 119.9 35.7 -75.3 -48.4 28.9 1.5 30.6 230 230 A F H < S+ 0 0 6 -4,-2.9 -117,-2.5 -5,-0.2 -2,-0.2 0.651 135.1 19.8 -82.5 -16.3 25.3 2.7 30.8 231 231 A S H < S+ 0 0 0 -4,-1.7 -3,-0.2 -5,-0.3 -1,-0.2 0.460 130.4 37.6-130.6 -4.0 23.5 -0.5 30.1 232 232 A X H < S- 0 0 3 -4,-0.8 -3,-0.2 -5,-0.4 -4,-0.1 0.339 92.8-124.6-131.1 6.3 25.9 -3.3 30.9 233 233 A Q < + 0 0 35 -4,-0.6 2,-1.2 1,-0.2 -4,-0.2 0.831 51.7 154.6 52.3 39.7 27.9 -2.1 33.9 234 234 A K > - 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0 0 8 -6,-1.7 -1,-0.2 -9,-0.1 8,-0.1 -0.518 31.1-111.9 -75.9 143.2 48.1 13.1 26.7 255 255 A P - 0 0 71 0, 0.0 2,-1.7 0, 0.0 -1,-0.1 -0.297 34.9 -93.8 -73.0 163.8 49.9 13.1 23.3 256 256 A D S S+ 0 0 127 -7,-0.1 2,-0.2 6,-0.0 -10,-0.0 -0.591 77.8 132.4 -78.4 85.1 48.2 14.1 20.1 257 257 A V - 0 0 39 -2,-1.7 5,-0.0 1,-0.2 -3,-0.0 -0.630 59.4 -62.0-127.0-175.1 47.1 10.7 19.0 258 258 A S >> - 0 0 61 -2,-0.2 4,-2.2 1,-0.1 3,-0.6 -0.239 47.6-112.2 -66.4 157.1 44.1 8.8 17.7 259 259 A L H 3> S+ 0 0 68 1,-0.3 4,-2.3 2,-0.2 5,-0.1 0.842 120.1 59.6 -59.1 -31.6 41.0 8.5 19.8 260 260 A K H 3> S+ 0 0 121 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.877 108.4 42.6 -64.4 -38.0 41.8 4.8 20.0 261 261 A K H <> S+ 0 0 119 -3,-0.6 4,-2.3 2,-0.2 -2,-0.2 0.803 110.5 56.0 -78.5 -29.1 45.1 5.6 21.7 262 262 A I H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.890 106.1 52.9 -67.5 -37.0 43.5 8.3 23.8 263 263 A R H X S+ 0 0 21 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.936 110.1 46.2 -62.6 -46.1 41.1 5.6 25.1 264 264 A D H X S+ 0 0 64 -4,-1.6 4,-2.2 2,-0.2 5,-0.2 0.903 111.7 52.9 -61.9 -41.7 44.1 3.3 26.0 265 265 A F H X S+ 0 0 51 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.948 112.4 44.0 -58.2 -51.4 45.8 6.3 27.7 266 266 A G H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 5,-0.3 0.903 113.9 48.4 -63.1 -43.3 42.8 7.0 29.8 267 267 A R H X S+ 0 0 43 -4,-2.7 4,-1.6 2,-0.2 -1,-0.2 0.842 113.2 47.9 -67.7 -32.9 42.0 3.5 30.8 268 268 A E H < S+ 0 0 143 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.905 114.3 49.7 -70.7 -39.9 45.6 2.9 31.7 269 269 A K H < S+ 0 0 95 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.906 124.3 24.9 -64.4 -47.3 45.4 6.1 33.7 270 270 A F H >< S- 0 0 23 -4,-2.9 3,-1.0 1,-0.2 -1,-0.2 0.514 92.8-159.6-101.3 -5.8 42.2 5.5 35.6 271 271 A G G >< - 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