==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-JUL-98 1MUG . COMPND 2 MOLECULE: PROTEIN (G:T/U SPECIFIC DNA GLYCOSYLASE); . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR T.E.BARRETT,R.SAVVA,G.PANAYOTOU,T.BROWN,T.BARLOW,J.JIRICNY, . 165 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8661.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 107 64.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 4.8 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 10 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 44 26.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 0 0 1 1 1 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 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 . 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 213 0, 0.0 2,-0.7 0, 0.0 70,-0.0 0.000 360.0 360.0 360.0 131.6 42.1 18.5 84.7 2 2 A V - 0 0 18 69,-0.2 26,-0.1 26,-0.0 2,-0.1 -0.913 360.0-146.7-105.0 112.6 41.3 22.0 83.4 3 3 A E - 0 0 149 -2,-0.7 2,-0.1 24,-0.7 63,-0.0 -0.433 19.3-106.1 -80.8 149.8 41.7 24.6 86.1 4 4 A D - 0 0 39 -2,-0.1 2,-0.5 1,-0.0 63,-0.2 -0.398 21.3-144.9 -66.6 151.7 39.5 27.8 86.4 5 5 A I B +A 66 0A 3 61,-2.6 61,-2.0 -2,-0.1 2,-0.3 -0.915 43.6 144.0-122.6 95.9 41.1 31.0 85.3 6 6 A L + 0 0 27 -2,-0.5 59,-0.1 59,-0.2 54,-0.0 -0.981 14.8 150.6-140.1 150.6 39.6 33.6 87.7 7 7 A A > - 0 0 26 -2,-0.3 3,-0.6 92,-0.0 2,-0.0 -0.941 47.4 -79.8-165.0 170.3 40.7 36.8 89.6 8 8 A P T 3 S+ 0 0 108 0, 0.0 92,-0.1 0, 0.0 91,-0.1 -0.329 103.4 36.1 -80.2 165.9 39.0 40.0 90.9 9 9 A G T 3 S+ 0 0 54 90,-0.5 91,-0.1 91,-0.2 2,-0.1 0.608 78.3 159.8 71.3 18.9 38.2 43.0 88.7 10 10 A L < - 0 0 5 -3,-0.6 92,-2.0 89,-0.3 54,-0.2 -0.331 39.4-152.8 -76.8 148.3 37.3 41.0 85.6 11 11 A R S S+ 0 0 32 52,-3.3 92,-1.4 1,-0.3 2,-0.4 0.913 82.3 7.4 -77.8 -53.6 35.2 42.3 82.7 12 12 A V E -bc 64 103A 0 51,-1.0 53,-2.4 90,-0.2 2,-0.5 -0.982 52.7-159.1-137.6 140.7 33.9 38.9 81.7 13 13 A V E -bc 65 104A 0 90,-2.0 92,-2.8 -2,-0.4 2,-0.5 -0.994 23.3-151.1-114.0 116.7 34.0 35.3 82.9 14 14 A F E -bc 66 105A 0 51,-2.9 53,-2.2 -2,-0.5 2,-0.5 -0.816 11.7-165.3 -89.8 129.6 33.3 33.0 80.0 15 15 A C E -bc 67 106A 0 90,-3.0 92,-2.7 -2,-0.5 53,-0.3 -0.954 4.4-170.6-126.2 118.1 31.6 29.7 81.0 16 16 A G E -b 68 0A 6 51,-1.6 53,-2.4 -2,-0.5 54,-0.2 -0.303 35.3-106.9 -91.9-179.4 31.4 26.7 78.8 17 17 A I S S- 0 0 21 1,-0.3 53,-2.5 90,-0.3 -1,-0.1 0.972 81.0 -47.7 -73.7 -55.6 29.4 23.5 79.4 18 18 A N S S- 0 0 23 51,-0.2 -1,-0.3 50,-0.1 2,-0.3 -0.937 71.1 -68.1-168.0 174.0 32.2 21.1 80.2 19 19 A P - 0 0 8 0, 0.0 55,-1.8 0, 0.0 2,-0.1 -0.605 38.0-142.2 -83.0 134.5 35.7 20.1 78.9 20 20 A G > - 0 0 29 -2,-0.3 4,-2.3 53,-0.2 55,-0.2 -0.272 40.2 -93.0 -75.2 179.9 36.1 18.3 75.6 21 21 A L H > S+ 0 0 106 53,-0.3 4,-2.4 1,-0.2 5,-0.2 0.889 124.9 54.8 -66.7 -36.5 38.8 15.6 75.5 22 22 A S H > S+ 0 0 43 2,-0.2 4,-2.4 1,-0.2 6,-0.3 0.909 111.0 46.4 -62.1 -42.7 41.5 17.9 74.1 23 23 A S H > S+ 0 0 9 2,-0.2 4,-3.2 1,-0.2 5,-0.4 0.961 112.6 47.5 -64.0 -52.1 40.9 20.3 77.0 24 24 A A H < S+ 0 0 26 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.869 115.9 48.9 -57.5 -34.9 40.9 17.6 79.7 25 25 A G H < S+ 0 0 68 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.856 120.3 31.3 -75.3 -39.1 44.1 16.3 78.1 26 26 A T H < S- 0 0 77 -4,-2.4 -2,-0.2 2,-0.2 -3,-0.2 0.743 100.1-126.8 -91.2 -26.4 46.1 19.4 77.8 27 27 A G S < S+ 0 0 26 -4,-3.2 -24,-0.7 1,-0.3 -3,-0.1 0.416 73.9 110.7 92.6 3.7 44.7 21.2 80.9 28 28 A F S > S- 0 0 73 -5,-0.4 3,-0.7 -6,-0.3 -1,-0.3 -0.845 70.9-111.9-111.8 144.6 43.7 24.3 78.9 29 29 A P T 3 S+ 0 0 10 0, 0.0 27,-0.1 0, 0.0 -26,-0.0 -0.383 96.4 11.2 -75.2 151.3 40.2 25.5 78.1 30 30 A F T 3 S+ 0 0 21 1,-0.1 8,-0.3 -2,-0.1 5,-0.1 0.844 82.1 152.6 50.0 43.9 38.9 25.4 74.5 31 31 A A < + 0 0 13 -3,-0.7 -1,-0.1 -11,-0.1 23,-0.1 0.621 27.3 107.3 -79.7 -16.7 42.0 23.4 73.5 32 32 A H S > S- 0 0 97 1,-0.1 3,-2.4 2,-0.1 111,-0.1 -0.483 75.0-128.6 -65.9 133.2 40.5 21.5 70.5 33 33 A P T 3 S+ 0 0 125 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.723 106.2 53.7 -52.8 -26.6 42.0 23.0 67.3 34 34 A A T 3 S+ 0 0 48 2,-0.0 2,-0.3 0, 0.0 -2,-0.1 0.463 79.3 109.2 -89.2 -7.3 38.6 23.5 65.7 35 35 A N < - 0 0 30 -3,-2.4 3,-0.3 107,-0.2 4,-0.3 -0.609 58.0-153.9 -72.4 131.2 37.1 25.4 68.6 36 36 A R > + 0 0 45 105,-3.2 4,-3.0 -2,-0.3 5,-0.2 0.472 64.9 105.1 -85.6 -2.2 36.5 29.1 67.5 37 37 A F H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.878 80.2 45.0 -44.9 -55.3 36.7 30.6 71.0 38 38 A W H > S+ 0 0 11 -3,-0.3 4,-1.1 -8,-0.3 13,-0.4 0.897 117.1 44.4 -61.6 -41.2 40.3 32.1 70.8 39 39 A K H > S+ 0 0 86 -4,-0.3 4,-2.6 -3,-0.2 5,-0.2 0.915 114.2 51.2 -71.0 -38.2 39.7 33.6 67.3 40 40 A V H X S+ 0 0 0 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.924 108.2 48.0 -66.2 -47.1 36.2 34.9 68.3 41 41 A I H <>S+ 0 0 0 -4,-2.6 5,-1.6 -5,-0.2 6,-1.2 0.798 112.9 52.1 -68.7 -22.3 37.2 36.7 71.5 42 42 A Y H ><5S+ 0 0 100 -4,-1.1 3,-1.7 -5,-0.3 -2,-0.2 0.978 112.8 41.2 -73.6 -55.9 40.1 38.3 69.5 43 43 A Q H 3<5S+ 0 0 91 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.787 112.3 57.3 -64.1 -25.9 37.9 39.6 66.6 44 44 A A T 3<5S- 0 0 3 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.540 119.8-106.6 -82.3 -7.4 35.2 40.7 69.1 45 45 A G T < 5S+ 0 0 42 -3,-1.7 -3,-0.2 2,-0.3 -2,-0.1 0.338 88.0 112.3 103.2 -6.2 37.6 42.9 71.0 46 46 A F S - 0 0 113 -2,-0.1 3,-2.1 1,-0.1 4,-0.1 -0.679 32.1-104.1 -96.3 157.9 46.7 29.9 71.7 53 53 A P G > S+ 0 0 32 0, 0.0 3,-2.2 0, 0.0 4,-0.2 0.884 120.3 58.8 -52.4 -39.2 45.1 27.5 74.2 54 54 A Q G 3 S+ 0 0 108 1,-0.3 3,-0.3 2,-0.1 -23,-0.0 0.649 100.7 57.5 -66.9 -13.4 48.4 27.2 76.1 55 55 A E G X S+ 0 0 36 -3,-2.1 3,-2.2 1,-0.2 -1,-0.3 0.255 70.6 118.7 -97.5 12.2 48.4 31.0 76.7 56 56 A A G X + 0 0 1 -3,-2.2 3,-2.2 1,-0.3 4,-0.3 0.824 66.1 61.4 -47.1 -41.8 44.9 30.7 78.4 57 57 A Q G > S+ 0 0 99 -3,-0.3 3,-1.6 1,-0.3 -1,-0.3 0.787 92.5 68.8 -57.2 -28.5 46.2 32.1 81.8 58 58 A H G X> S+ 0 0 83 -3,-2.2 3,-1.0 1,-0.3 4,-0.6 0.537 73.4 85.4 -69.7 -7.3 47.1 35.3 79.9 59 59 A L G X4>S+ 0 0 0 -3,-2.2 5,-1.7 -4,-0.3 3,-1.3 0.833 79.7 66.7 -61.0 -30.7 43.4 36.0 79.5 60 60 A L G X45S+ 0 0 51 -3,-1.6 3,-1.8 -4,-0.3 -1,-0.3 0.823 89.2 63.6 -59.5 -31.6 43.8 37.6 82.9 61 61 A D G <45S+ 0 0 110 -3,-1.0 -1,-0.3 1,-0.3 -2,-0.2 0.811 105.7 44.8 -60.8 -33.2 46.0 40.3 81.3 62 62 A Y G <<5S- 0 0 48 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.212 121.8-111.1 -95.2 15.2 42.9 41.3 79.3 63 63 A R T < 5S+ 0 0 163 -3,-1.8 -52,-3.3 1,-0.2 -51,-1.0 0.887 77.9 123.9 55.0 44.1 40.7 41.1 82.5 64 64 A C E < - b 0 12A 0 -5,-1.7 2,-0.3 -54,-0.2 -1,-0.2 -0.928 39.2-166.1-129.0 152.2 38.8 38.0 81.3 65 65 A G E - b 0 13A 0 -53,-2.4 -51,-2.9 -2,-0.3 2,-0.3 -0.857 7.9-143.2-133.1 172.0 38.3 34.6 83.0 66 66 A V E +Ab 5 14A 7 -61,-2.0 -61,-2.6 -2,-0.3 2,-0.2 -0.998 25.5 147.4-141.7 139.7 37.1 31.1 82.2 67 67 A T E - b 0 15A 7 -53,-2.2 -51,-1.6 -2,-0.3 2,-0.3 -0.793 29.8-129.7-149.5-170.5 35.2 28.4 84.1 68 68 A K E - b 0 16A 30 -53,-0.3 -51,-0.2 -2,-0.2 -50,-0.1 -0.991 13.7-131.8-150.3 156.3 32.7 25.7 83.2 69 69 A L S S+ 0 0 4 -53,-2.4 2,-0.4 -2,-0.3 -51,-0.2 0.885 95.0 29.8 -76.9 -38.6 29.4 24.5 84.4 70 70 A V - 0 0 6 -53,-2.5 -1,-0.2 -54,-0.2 15,-0.1 -0.975 62.1-154.4-127.1 136.1 30.3 20.7 84.6 71 71 A D + 0 0 98 -2,-0.4 -69,-0.2 -53,-0.2 -1,-0.1 0.827 64.1 102.1 -78.6 -33.6 33.7 19.2 85.4 72 72 A R - 0 0 112 -54,-0.1 2,-0.1 1,-0.1 -2,-0.1 -0.324 69.1-134.1 -58.7 118.4 33.2 15.8 83.7 73 73 A P + 0 0 57 0, 0.0 2,-0.3 0, 0.0 -53,-0.2 -0.472 30.9 169.8 -74.0 148.6 35.0 15.7 80.3 74 74 A T - 0 0 5 -55,-1.8 -53,-0.3 -2,-0.1 -50,-0.1 -0.972 44.9-116.3-153.9 155.2 33.2 14.2 77.3 75 75 A V S S+ 0 0 95 -2,-0.3 2,-0.3 -55,-0.2 -54,-0.2 0.904 105.4 23.1 -62.1 -41.7 33.7 14.0 73.5 76 76 A Q S > S- 0 0 78 1,-0.1 3,-1.4 -56,-0.1 -1,-0.1 -0.942 75.8-131.0-125.9 147.6 30.6 16.1 72.8 77 77 A A G > S+ 0 0 42 -2,-0.3 3,-2.6 1,-0.3 -1,-0.1 0.880 103.4 70.7 -64.8 -36.2 28.9 18.6 75.2 78 78 A N G 3 S+ 0 0 118 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.503 82.5 74.0 -58.7 -6.3 25.5 17.0 74.5 79 79 A E G < S+ 0 0 85 -3,-1.4 2,-0.4 2,-0.1 -1,-0.3 0.503 76.4 95.8 -85.6 -6.2 26.7 14.0 76.5 80 80 A V S < S- 0 0 14 -3,-2.6 2,-0.1 -4,-0.1 -62,-0.0 -0.717 78.5-124.7 -86.4 132.2 26.3 16.0 79.7 81 81 A S >> - 0 0 45 -2,-0.4 4,-2.1 1,-0.1 3,-0.8 -0.446 12.4-120.9 -80.2 154.9 23.0 15.4 81.4 82 82 A K H 3> S+ 0 0 106 1,-0.3 4,-1.8 2,-0.2 -1,-0.1 0.784 115.4 56.9 -61.3 -27.3 20.4 18.1 82.3 83 83 A Q H 3> S+ 0 0 146 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.803 105.8 49.8 -74.3 -31.5 20.8 17.1 86.0 84 84 A E H <> S+ 0 0 50 -3,-0.8 4,-1.8 2,-0.2 -2,-0.2 0.890 107.2 54.8 -71.4 -42.0 24.5 17.7 85.8 85 85 A L H X S+ 0 0 7 -4,-2.1 4,-1.2 1,-0.2 -2,-0.2 0.925 108.2 50.6 -57.8 -42.1 23.9 21.1 84.3 86 86 A H H X S+ 0 0 61 -4,-1.8 4,-0.8 1,-0.2 3,-0.3 0.871 106.8 49.6 -67.2 -41.8 21.7 21.9 87.3 87 87 A A H X S+ 0 0 45 -4,-1.5 4,-1.0 1,-0.2 3,-0.4 0.859 108.7 57.2 -67.6 -27.4 24.1 20.9 90.1 88 88 A G H X S+ 0 0 2 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.818 94.0 67.7 -70.2 -31.0 26.7 23.0 88.3 89 89 A G H X S+ 0 0 1 -4,-1.2 4,-2.3 -3,-0.3 -1,-0.2 0.861 97.1 50.9 -57.4 -43.0 24.5 26.1 88.5 90 90 A R H X S+ 0 0 145 -4,-0.8 4,-2.0 -3,-0.4 -1,-0.2 0.917 112.0 45.4 -62.7 -48.2 24.7 26.5 92.3 91 91 A K H X S+ 0 0 92 -4,-1.0 4,-2.2 2,-0.2 -2,-0.2 0.898 111.8 54.1 -63.4 -38.4 28.5 26.3 92.4 92 92 A L H X S+ 0 0 3 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.948 106.4 51.0 -61.4 -47.0 28.7 28.7 89.4 93 93 A I H X S+ 0 0 56 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.934 109.7 50.4 -56.3 -45.3 26.5 31.3 91.3 94 94 A E H X S+ 0 0 131 -4,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.901 110.4 50.4 -59.5 -41.9 28.8 31.0 94.3 95 95 A K H X S+ 0 0 55 -4,-2.2 4,-2.9 2,-0.2 5,-0.3 0.928 111.8 46.2 -62.0 -47.1 31.9 31.6 92.1 96 96 A I H X S+ 0 0 2 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.868 110.3 53.6 -65.3 -37.1 30.5 34.7 90.5 97 97 A E H < S+ 0 0 110 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.800 114.0 45.2 -66.4 -28.2 29.4 36.0 93.9 98 98 A D H < S+ 0 0 106 -4,-1.3 -2,-0.2 -5,-0.2 -3,-0.2 0.970 122.9 30.5 -77.5 -59.1 33.0 35.5 95.0 99 99 A Y H < S- 0 0 77 -4,-2.9 -90,-0.5 -5,-0.1 -89,-0.3 0.746 86.4-156.6 -75.9 -25.1 34.9 37.0 92.0 100 100 A Q < - 0 0 137 -4,-2.5 -91,-0.2 -5,-0.3 -3,-0.1 0.901 16.2-176.6 49.7 55.2 32.3 39.6 91.0 101 101 A P - 0 0 3 0, 0.0 -90,-0.2 0, 0.0 -89,-0.1 -0.291 39.7-110.6 -73.0 169.4 33.1 40.1 87.3 102 102 A Q S S+ 0 0 86 -92,-2.0 32,-2.2 1,-0.2 2,-0.3 0.845 97.1 8.5 -67.6 -34.9 31.2 42.7 85.3 103 103 A A E -cd 12 134A 0 -92,-1.4 -90,-2.0 30,-0.2 2,-0.5 -0.995 57.4-145.5-150.0 153.7 29.5 39.9 83.3 104 104 A L E -cd 13 135A 0 30,-2.5 32,-2.6 -2,-0.3 2,-0.6 -0.982 18.3-159.8-116.2 125.0 29.1 36.2 83.1 105 105 A A E -cd 14 136A 0 -92,-2.8 -90,-3.0 -2,-0.5 2,-0.6 -0.942 2.5-159.1-111.1 110.1 28.8 34.8 79.5 106 106 A I E -cd 15 137A 4 30,-2.9 32,-2.8 -2,-0.6 2,-1.3 -0.823 12.9-142.5 -90.0 122.8 27.2 31.4 79.3 107 107 A L E S+ d 0 138A 0 -92,-2.7 -90,-0.3 -2,-0.6 33,-0.1 -0.677 72.7 29.2 -89.1 87.2 28.2 29.7 76.1 108 108 A G > - 0 0 10 30,-1.8 4,-2.0 -2,-1.3 5,-0.1 -0.039 69.3-127.3 130.6 126.7 25.1 27.8 75.0 109 109 A K H > S+ 0 0 62 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.920 110.7 50.8 -63.7 -45.1 21.3 28.4 75.5 110 110 A Q H > S+ 0 0 97 1,-0.2 4,-2.9 2,-0.2 5,-0.4 0.923 107.7 53.7 -59.2 -46.7 20.7 24.9 76.9 111 111 A A H > S+ 0 0 2 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.935 112.1 45.1 -54.1 -48.7 23.6 25.3 79.4 112 112 A Y H X S+ 0 0 3 -4,-2.0 4,-2.4 1,-0.2 6,-0.2 0.923 113.2 49.8 -60.0 -51.6 22.0 28.5 80.7 113 113 A E H X>S+ 0 0 19 -4,-2.7 5,-2.0 2,-0.2 4,-0.6 0.910 117.7 38.0 -55.6 -49.3 18.5 27.1 80.8 114 114 A Q H ><5S+ 0 0 24 -4,-2.9 3,-0.7 3,-0.2 -2,-0.2 0.947 117.6 48.4 -72.4 -47.1 19.4 24.0 82.7 115 115 A G H 3<5S+ 0 0 6 -4,-2.6 -2,-0.2 -5,-0.4 -1,-0.2 0.841 123.7 31.7 -62.5 -34.4 22.0 25.5 85.0 116 116 A F H 3<5S- 0 0 18 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.348 105.7-118.2-107.3 8.8 19.8 28.4 86.0 117 117 A S T <<5 + 0 0 76 -3,-0.7 2,-0.3 -4,-0.6 -3,-0.2 0.939 66.8 139.6 54.7 49.1 16.4 26.7 85.8 118 118 A Q < - 0 0 72 -5,-2.0 2,-0.3 -6,-0.2 -1,-0.2 -0.777 35.9-156.8-116.1 162.2 15.1 29.1 83.1 119 119 A R + 0 0 191 -2,-0.3 -9,-0.0 1,-0.1 -5,-0.0 -0.989 66.4 15.5-143.1 147.7 13.0 28.2 80.0 120 120 A G S S- 0 0 64 -2,-0.3 -1,-0.1 1,-0.1 2,-0.1 0.893 79.1-179.3 57.5 46.8 12.5 29.9 76.6 121 121 A A - 0 0 9 -3,-0.1 2,-0.3 -12,-0.1 -1,-0.1 -0.410 19.8-137.0 -78.3 150.6 15.6 32.1 76.9 122 122 A Q - 0 0 145 -2,-0.1 15,-0.1 1,-0.1 2,-0.0 -0.737 28.0-101.1-102.3 155.6 16.6 34.6 74.2 123 123 A W S S+ 0 0 123 -2,-0.3 2,-0.2 13,-0.1 15,-0.2 -0.334 85.2 27.5 -69.0 161.9 20.2 35.0 73.1 124 124 A G E S+E 137 0A 8 13,-2.8 13,-2.5 -2,-0.0 2,-0.2 -0.526 107.7 7.9 90.3-157.2 22.1 38.0 74.4 125 125 A K E -E 136 0A 120 11,-0.2 11,-0.2 -2,-0.2 2,-0.2 -0.449 65.2-152.8 -69.0 131.0 21.7 39.9 77.6 126 126 A Q E - 0 0 28 9,-3.0 9,-0.4 2,-0.2 -1,-0.1 -0.496 21.4-129.9 -96.3 168.7 19.3 38.5 80.2 127 127 A T E S+ 0 0 147 -2,-0.2 2,-0.1 7,-0.1 -1,-0.1 0.696 86.1 92.4 -88.4 -23.6 17.4 40.4 82.8 128 128 A L E + 0 0 64 7,-0.1 7,-0.7 6,-0.0 2,-0.3 -0.423 56.8 178.7 -69.3 145.0 18.7 37.9 85.4 129 129 A T E -E 134 0A 74 5,-0.2 2,-0.6 -2,-0.1 5,-0.2 -0.899 34.7-130.2-140.2 166.5 21.9 38.9 87.3 130 130 A I E > S-E 133 0A 10 3,-2.2 3,-2.1 -2,-0.3 2,-0.2 -0.918 80.8 -57.2-118.6 92.4 24.1 37.4 90.0 131 131 A G T 3 S- 0 0 62 -2,-0.6 -34,-0.1 1,-0.3 -35,-0.0 -0.483 121.1 -18.6 68.3-130.4 24.4 40.5 92.2 132 132 A S T 3 S+ 0 0 127 -2,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.553 114.1 109.6 -83.8 -7.9 25.9 43.3 90.1 133 133 A T E < - E 0 130A 4 -3,-2.1 -3,-2.2 -30,-0.1 -30,-0.2 -0.582 65.0-138.2 -74.7 126.2 27.1 40.7 87.5 134 134 A Q E -dE 103 129A 47 -32,-2.2 -30,-2.5 -2,-0.4 2,-0.5 -0.410 12.1-136.8 -76.8 155.8 25.2 40.8 84.2 135 135 A I E -d 104 0A 0 -7,-0.7 -9,-3.0 -9,-0.4 2,-0.4 -0.977 22.0-178.6-121.2 127.7 24.3 37.5 82.5 136 136 A W E -dE 105 125A 7 -32,-2.6 -30,-2.9 -2,-0.5 2,-0.6 -0.963 18.6-146.1-125.4 140.5 24.7 37.0 78.8 137 137 A V E +dE 106 124A 1 -13,-2.5 -13,-2.8 -2,-0.4 -30,-0.2 -0.945 25.8 178.4-110.4 114.4 23.8 33.9 76.7 138 138 A L E -d 107 0A 2 -32,-2.8 -30,-1.8 -2,-0.6 2,-0.1 -0.839 34.1 -96.8-115.4 151.3 26.3 33.5 73.8 139 139 A P - 0 0 11 0, 0.0 -31,-0.0 0, 0.0 -1,-0.0 -0.400 46.5-102.0 -67.0 145.5 26.4 30.7 71.1 140 140 A N - 0 0 31 1,-0.1 7,-0.3 -33,-0.1 -32,-0.1 -0.493 25.0-150.8 -68.8 133.5 28.9 27.9 71.7 141 141 A P + 0 0 0 0, 0.0 -105,-3.2 0, 0.0 -104,-0.1 0.403 50.0 127.7 -86.1 0.1 32.1 28.3 69.7 142 142 A S S > S- 0 0 31 -107,-0.3 3,-1.9 1,-0.2 -107,-0.2 -0.210 72.2-117.6 -56.4 150.1 33.1 24.6 69.3 143 143 A G T 3 S+ 0 0 41 1,-0.3 -1,-0.2 -111,-0.1 -108,-0.1 0.726 114.6 65.1 -61.5 -18.2 33.7 23.5 65.7 144 144 A L T 3 S+ 0 0 119 2,-0.0 -1,-0.3 0, 0.0 2,-0.2 0.624 80.3 95.6 -79.6 -15.7 30.8 21.2 66.2 145 145 A S S < S- 0 0 31 -3,-1.9 0, 0.0 1,-0.1 0, 0.0 -0.572 75.8-135.0 -76.7 143.6 28.3 24.1 66.6 146 146 A R + 0 0 257 -2,-0.2 2,-0.3 2,-0.0 -1,-0.1 0.333 69.8 113.1 -82.6 9.8 26.4 25.1 63.4 147 147 A V - 0 0 44 -7,-0.3 -2,-0.1 1,-0.1 2,-0.1 -0.632 68.7-122.5 -83.5 135.8 27.0 28.8 64.0 148 148 A S > - 0 0 55 -2,-0.3 4,-2.0 1,-0.1 5,-0.2 -0.368 21.0-113.5 -75.0 158.8 29.2 30.6 61.5 149 149 A L H > S+ 0 0 48 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.874 117.5 58.5 -57.9 -35.7 32.4 32.4 62.7 150 150 A E H > S+ 0 0 137 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.933 107.0 43.6 -60.7 -48.4 30.6 35.6 61.6 151 151 A K H > S+ 0 0 119 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.856 113.2 53.6 -66.7 -36.7 27.6 35.2 63.8 152 152 A L H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 5,-0.3 0.965 109.7 46.7 -60.7 -52.6 29.8 34.2 66.7 153 153 A V H X S+ 0 0 7 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.909 112.1 51.4 -59.1 -41.5 31.9 37.4 66.3 154 154 A E H X S+ 0 0 95 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.938 111.9 46.0 -61.4 -48.4 28.8 39.5 66.1 155 155 A A H X S+ 0 0 23 -4,-2.4 4,-0.9 2,-0.2 -1,-0.2 0.893 116.2 43.7 -62.8 -42.1 27.3 38.0 69.2 156 156 A Y H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 3,-0.5 0.898 109.7 56.7 -73.4 -36.2 30.5 38.3 71.3 157 157 A R H X S+ 0 0 90 -4,-2.7 4,-2.6 -5,-0.3 -1,-0.2 0.808 97.9 62.8 -63.4 -30.7 31.2 41.8 70.1 158 158 A E H X S+ 0 0 101 -4,-1.4 4,-1.3 -5,-0.2 -1,-0.2 0.923 107.6 43.5 -61.0 -41.1 27.8 42.9 71.3 159 159 A L H X S+ 0 0 0 -4,-0.9 4,-1.5 -3,-0.5 -2,-0.2 0.925 111.0 53.1 -68.6 -47.0 29.0 42.0 74.9 160 160 A D H < S+ 0 0 30 -4,-2.1 3,-0.4 1,-0.2 -2,-0.2 0.919 113.0 45.2 -54.7 -44.1 32.5 43.6 74.4 161 161 A Q H < S+ 0 0 129 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.770 106.4 59.9 -72.8 -26.2 30.9 46.9 73.3 162 162 A A H < S+ 0 0 45 -4,-1.3 2,-1.0 1,-0.2 -1,-0.2 0.775 96.1 65.4 -71.7 -29.7 28.3 46.8 76.2 163 163 A L S < S- 0 0 3 -4,-1.5 -1,-0.2 -3,-0.4 -60,-0.0 -0.734 90.4-144.1 -97.0 89.0 31.0 46.8 78.8 164 164 A V 0 0 113 -2,-1.0 -2,-0.1 -3,-0.1 -3,-0.1 -0.055 360.0 360.0 -58.9 148.6 32.6 50.2 78.3 165 165 A V 0 0 178 -4,-0.1 -4,-0.0 0, 0.0 0, 0.0 0.897 360.0 360.0 70.8 360.0 36.3 51.1 78.7