==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 02-FEB-05 1YQM . COMPND 2 MOLECULE: 5'-D(P*GP*GP*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*C)-3'; . SOURCE 2 SYNTHETIC: YES; . AUTHOR A.BANERJEE,W.YANG,M.KARPLUS,G.L.VERDINE . 314 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14113.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 212 67.5 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 . 27 8.6 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 . 13 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 120 38.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.6 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 2 0 1 2 1 1 1 3 0 0 1 3 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 1 1 1 1 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 ANTIPARALLEL 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 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 9 A S 0 0 94 0, 0.0 9,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 143.2 28.9 -13.4 35.9 2 10 A E + 0 0 152 4,-0.0 2,-0.3 73,-0.0 4,-0.1 0.492 360.0 69.7 -78.0 -2.8 25.3 -13.4 37.0 3 11 A F S S+ 0 0 161 2,-0.1 160,-0.1 160,-0.1 0, 0.0 -0.777 83.0 15.2-118.1 161.3 25.9 -10.6 39.6 4 12 A G S S- 0 0 11 -2,-0.3 2,-0.3 158,-0.2 158,-0.0 -0.143 104.8 -27.2 75.1-175.4 26.7 -6.9 39.6 5 13 A H - 0 0 25 158,-0.1 -2,-0.1 1,-0.1 43,-0.0 -0.578 69.7-130.2 -76.4 133.3 26.4 -4.5 36.6 6 14 A R - 0 0 32 -2,-0.3 2,-0.3 -4,-0.1 -1,-0.1 -0.167 18.9-162.2 -76.4 171.6 26.8 -6.2 33.2 7 15 A T > - 0 0 34 1,-0.1 4,-1.8 50,-0.0 8,-0.1 -0.924 34.7-104.0-147.2 166.4 29.1 -5.2 30.3 8 16 A L T 4 S+ 0 0 50 -2,-0.3 7,-0.1 1,-0.2 6,-0.1 0.937 120.9 40.4 -60.3 -48.6 29.2 -6.0 26.6 9 17 A A T 4 S+ 0 0 90 1,-0.2 -1,-0.2 2,-0.1 -3,-0.0 0.925 112.6 55.6 -65.1 -48.8 32.1 -8.4 27.0 10 18 A S T 4 S+ 0 0 59 1,-0.2 -2,-0.2 2,-0.1 -1,-0.2 0.883 122.8 15.8 -55.1 -50.4 30.9 -10.0 30.2 11 19 A T >< + 0 0 19 -4,-1.8 3,-2.0 1,-0.1 -1,-0.2 -0.491 66.6 171.6-133.6 69.4 27.4 -11.2 29.2 12 20 A P G > S+ 0 0 88 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.808 75.3 56.0 -40.3 -54.6 27.0 -11.2 25.4 13 21 A A G 3 S+ 0 0 87 1,-0.3 64,-0.5 64,-0.1 -2,-0.0 0.609 98.7 65.0 -63.8 -10.4 23.6 -13.0 25.1 14 22 A L G < S+ 0 0 31 -3,-2.0 55,-0.4 62,-0.1 2,-0.3 0.492 90.2 80.5 -92.0 -2.1 22.0 -10.4 27.4 15 23 A W < - 0 0 21 -3,-1.8 2,-0.3 -4,-0.2 53,-0.2 -0.734 49.4-175.1-108.9 155.5 22.5 -7.4 25.0 16 24 A A E -A 67 0A 23 51,-1.8 51,-2.7 -2,-0.3 2,-0.3 -0.989 20.6-138.6-142.2 135.4 20.6 -6.2 21.9 17 25 A S E -A 66 0A 54 -2,-0.3 49,-0.2 49,-0.2 43,-0.1 -0.735 3.7-148.9-106.5 152.0 21.8 -3.2 19.9 18 26 A I E -A 65 0A 6 47,-2.8 47,-2.2 -2,-0.3 2,-0.2 -0.955 35.1-108.1-112.6 129.0 19.9 -0.3 18.3 19 27 A P E +A 64 0A 93 0, 0.0 45,-0.2 0, 0.0 44,-0.0 -0.409 61.8 142.5 -59.1 121.0 21.4 1.1 15.0 20 28 A C - 0 0 4 43,-2.5 41,-0.2 -2,-0.2 -2,-0.1 -0.685 42.1-140.4-166.4 105.6 22.8 4.4 16.0 21 29 A P >> - 0 0 39 0, 0.0 3,-2.2 0, 0.0 4,-0.8 -0.371 28.9-116.7 -68.2 149.3 26.0 6.0 14.7 22 30 A R G >4 S+ 0 0 82 40,-1.8 3,-0.6 1,-0.3 41,-0.1 0.799 115.4 68.1 -55.0 -27.2 28.1 7.8 17.3 23 31 A S G 34 S+ 0 0 68 39,-0.3 96,-1.1 1,-0.2 -1,-0.3 0.778 101.5 45.4 -64.6 -26.8 27.4 10.9 15.2 24 32 A E G <4 S+ 0 0 22 -3,-2.2 2,-0.3 1,-0.3 -1,-0.2 0.598 126.3 14.9 -92.5 -12.2 23.7 10.7 16.2 25 33 A L << - 0 0 0 -4,-0.8 2,-0.5 -3,-0.6 -1,-0.3 -0.869 49.2-172.6-166.6 127.9 24.3 10.1 20.0 26 34 A R >> - 0 0 65 93,-2.2 3,-1.2 -2,-0.3 4,-1.1 -0.950 8.8-165.9-122.5 106.5 27.2 10.4 22.5 27 35 A L H >> S+ 0 0 3 -2,-0.5 4,-2.1 1,-0.3 3,-0.8 0.912 89.8 56.8 -57.9 -43.7 26.2 8.9 25.9 28 36 A D H 34 S+ 0 0 60 1,-0.2 -1,-0.3 2,-0.2 13,-0.0 0.669 112.8 41.6 -63.9 -16.1 29.2 10.5 27.6 29 37 A L H <4 S+ 0 0 9 -3,-1.2 -1,-0.2 90,-0.1 -2,-0.2 0.555 123.6 34.9-106.3 -10.9 28.0 13.9 26.3 30 38 A V H X<>S+ 0 0 0 -4,-1.1 3,-0.9 -3,-0.8 5,-0.5 0.826 109.5 53.3-107.5 -50.9 24.3 13.5 27.0 31 39 A L T 3<5S+ 0 0 2 -4,-2.1 8,-0.4 1,-0.2 3,-0.2 0.780 117.1 34.3 -62.4 -33.5 23.7 11.4 30.1 32 40 A P T 3 5S+ 0 0 47 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.351 92.5 95.9-104.9 10.4 25.8 13.4 32.6 33 41 A S T < 5S- 0 0 3 -3,-0.9 -2,-0.1 1,-0.1 4,-0.1 0.155 105.4 -90.2 -87.4 18.7 25.2 16.9 31.1 34 42 A G T 5S+ 0 0 9 2,-0.5 3,-0.2 -3,-0.2 -3,-0.1 0.650 102.9 100.6 87.3 12.8 22.4 18.1 33.3 35 43 A Q S S-B 46 0A 30 3,-1.0 3,-2.9 -3,-0.2 -1,-0.2 -0.982 112.3 -63.7-149.6 142.2 32.1 0.9 34.5 44 52 A P T 3 S- 0 0 114 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 0.115 120.2 -3.5 -30.1 121.6 34.0 2.6 31.7 45 53 A A T 3 S+ 0 0 51 1,-0.1 2,-0.5 -4,-0.1 15,-0.4 0.496 109.8 109.2 68.3 8.0 31.6 3.4 28.8 46 54 A H E < -B 43 0A 21 -3,-2.9 -3,-1.0 13,-0.1 2,-0.5 -0.960 48.9-166.6-119.5 122.7 28.7 1.8 30.5 47 55 A W E - C 0 58A 18 11,-3.1 11,-2.7 -2,-0.5 2,-0.4 -0.920 2.8-166.7-112.9 129.6 25.8 3.8 31.9 48 56 A S E +BC 40 57A 0 -8,-3.1 -8,-2.2 -2,-0.5 2,-0.3 -0.903 24.2 122.1-117.2 141.9 23.2 2.5 34.2 49 57 A G E - C 0 56A 0 7,-1.7 7,-2.5 -2,-0.4 2,-0.5 -0.982 59.6 -70.4-178.5 172.2 19.9 4.0 35.2 50 58 A V E + C 0 55A 16 -12,-0.5 2,-0.4 -2,-0.3 5,-0.2 -0.693 46.5 172.1 -83.7 126.3 16.1 3.8 35.5 51 59 A L E > - C 0 54A 6 3,-3.4 3,-1.0 -2,-0.5 35,-0.1 -0.980 69.7 -11.8-137.6 120.6 14.4 4.0 32.1 52 60 A A T 3 S- 0 0 60 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.950 129.8 -52.0 53.4 53.7 10.7 3.4 31.7 53 61 A D T 3 S+ 0 0 135 1,-0.1 2,-0.3 -3,-0.1 -1,-0.2 0.608 123.3 88.6 60.4 16.9 10.4 1.9 35.2 54 62 A Q E < S-C 51 0A 49 -3,-1.0 -3,-3.4 -5,-0.1 2,-0.4 -0.955 78.8-108.1-139.1 159.3 13.2 -0.6 34.7 55 63 A V E +CD 50 70A 1 15,-1.1 15,-2.6 -2,-0.3 2,-0.3 -0.722 39.8 177.4 -91.5 135.7 17.0 -0.6 35.2 56 64 A W E -CD 49 69A 2 -7,-2.5 -7,-1.7 -2,-0.4 2,-0.4 -0.851 23.8-149.7-131.0 166.5 19.2 -0.5 32.1 57 65 A T E -CD 48 68A 1 11,-1.9 11,-1.7 -2,-0.3 2,-0.4 -0.991 21.0-168.4-137.2 129.1 22.9 -0.4 31.2 58 66 A L E +CD 47 67A 0 -11,-2.7 -11,-3.1 -2,-0.4 2,-0.3 -0.934 14.4 161.5-123.9 146.8 23.8 1.3 28.0 59 67 A T E - D 0 66A 7 7,-1.7 7,-2.8 -2,-0.4 2,-0.3 -0.951 21.6-143.0-159.6 142.0 27.1 1.3 26.1 60 68 A Q E - D 0 65A 20 -15,-0.4 5,-0.2 -2,-0.3 2,-0.2 -0.849 9.4-166.0-120.0 152.2 27.9 2.2 22.5 61 69 A T - 0 0 52 3,-2.7 -41,-0.0 -2,-0.3 -39,-0.0 -0.547 55.6 -75.6-112.0-175.9 30.2 1.0 19.7 62 70 A E S S+ 0 0 107 1,-0.2 -40,-1.8 -2,-0.2 -39,-0.3 0.836 127.5 11.0 -55.3 -37.5 30.9 3.0 16.5 63 71 A E S S+ 0 0 102 -42,-0.2 -43,-2.5 -41,-0.1 2,-0.3 0.486 120.4 65.9-121.0 -4.7 27.6 2.1 14.8 64 72 A Q E -A 19 0A 56 -45,-0.2 -3,-2.7 -47,-0.0 2,-0.6 -0.888 57.3-148.4-126.4 153.5 25.5 0.5 17.6 65 73 A L E -AD 18 60A 0 -47,-2.2 -47,-2.8 -2,-0.3 2,-0.4 -0.970 28.8-151.6-113.0 108.7 23.9 1.5 20.9 66 74 A H E -AD 17 59A 26 -7,-2.8 -7,-1.7 -2,-0.6 2,-0.4 -0.712 14.1-170.5 -88.4 134.1 23.9 -1.7 23.0 67 75 A C E +AD 16 58A 0 -51,-2.7 -51,-1.8 -2,-0.4 2,-0.4 -0.961 13.5 177.2-129.0 141.5 21.2 -2.1 25.6 68 76 A T E - D 0 57A 0 -11,-1.7 -11,-1.9 -2,-0.4 2,-0.3 -0.996 13.3-158.8-139.2 138.4 20.7 -4.6 28.4 69 77 A V E - D 0 56A 1 -55,-0.4 2,-0.5 -2,-0.4 7,-0.3 -0.898 9.2-150.7-122.6 149.9 17.8 -4.5 30.9 70 78 A Y E D 0 55A 14 -15,-2.6 -15,-1.1 -2,-0.3 5,-0.0 -0.976 360.0 360.0-119.1 119.7 17.3 -6.0 34.4 71 79 A R 0 0 109 -2,-0.5 -1,-0.1 -17,-0.1 3,-0.1 0.857 360.0 360.0 -96.7 360.0 13.7 -6.9 35.3 72 ! 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 73 83 A S 0 0 167 0, 0.0 2,-0.4 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 -22.0 12.2 -13.1 36.1 74 84 A Q - 0 0 104 1,-0.1 -3,-0.0 -3,-0.1 0, 0.0 -0.775 360.0-104.8 -92.7 134.0 14.8 -15.0 34.0 75 85 A A + 0 0 59 -2,-0.4 2,-0.3 -5,-0.0 -5,-0.1 -0.267 56.3 146.5 -58.4 136.1 17.6 -13.0 32.5 76 86 A S - 0 0 53 -7,-0.3 -7,-0.3 -62,-0.1 -62,-0.1 -0.976 50.9 -76.2-166.5 158.1 17.3 -12.4 28.7 77 87 A R - 0 0 39 -64,-0.5 -62,-0.2 -2,-0.3 -9,-0.1 -0.102 63.9 -86.1 -55.7 156.0 18.0 -9.9 26.0 78 88 A P - 0 0 11 0, 0.0 -1,-0.1 0, 0.0 -11,-0.1 -0.350 44.3-122.1 -66.2 147.9 15.7 -6.8 25.7 79 89 A T > - 0 0 59 -3,-0.1 4,-2.7 1,-0.1 5,-0.3 -0.498 25.5-104.5 -88.0 161.4 12.5 -7.3 23.7 80 90 A P H > S+ 0 0 102 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.866 121.9 50.0 -51.1 -42.2 11.6 -5.1 20.7 81 91 A D H > S+ 0 0 134 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.907 110.4 48.8 -65.2 -43.1 9.0 -3.2 22.7 82 92 A E H > S+ 0 0 29 1,-0.2 4,-1.0 2,-0.2 3,-0.2 0.914 114.3 46.9 -62.5 -42.1 11.5 -2.5 25.6 83 93 A L H X S+ 0 0 26 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.855 104.4 60.0 -67.1 -37.1 14.0 -1.3 23.0 84 94 A E H X S+ 0 0 83 -4,-2.4 4,-1.8 -5,-0.3 -1,-0.2 0.850 102.5 55.0 -59.6 -30.8 11.3 0.8 21.3 85 95 A A H X S+ 0 0 30 -4,-1.3 4,-2.0 -3,-0.2 -1,-0.3 0.859 106.8 49.2 -70.3 -34.6 11.2 2.5 24.7 86 96 A V H X S+ 0 0 0 -4,-1.0 4,-1.7 -3,-0.2 -2,-0.2 0.918 109.2 52.1 -70.2 -41.3 14.9 3.2 24.5 87 97 A R H <>S+ 0 0 64 -4,-2.7 5,-2.0 1,-0.2 6,-0.3 0.871 112.0 47.5 -61.0 -36.8 14.6 4.6 21.0 88 98 A K H ><5S+ 0 0 137 -4,-1.8 3,-1.0 -5,-0.2 -1,-0.2 0.870 105.4 57.3 -73.5 -36.1 11.8 6.9 22.3 89 99 A Y H 3<5S+ 0 0 29 -4,-2.0 35,-2.6 1,-0.3 -1,-0.2 0.865 114.5 38.9 -62.7 -35.7 13.8 8.0 25.3 90 100 A F T 3<5S- 0 0 0 -4,-1.7 -1,-0.3 33,-0.2 -2,-0.2 0.355 103.7-132.3 -95.6 5.4 16.6 9.2 23.1 91 101 A Q T X 5 + 0 0 37 -3,-1.0 3,-2.7 1,-0.2 -3,-0.2 0.834 38.0 172.6 45.8 42.9 14.2 10.6 20.4 92 102 A L T 3 < + 0 0 19 -5,-2.0 -1,-0.2 1,-0.3 -4,-0.1 0.527 66.0 73.5 -59.5 -6.4 16.2 8.8 17.7 93 103 A D T 3 S+ 0 0 136 -6,-0.3 2,-0.8 -5,-0.1 -1,-0.3 0.720 79.8 83.1 -78.8 -21.4 13.6 9.7 15.1 94 104 A V S < S- 0 0 30 -3,-2.7 2,-0.9 -4,-0.1 3,-0.1 -0.769 86.6-136.3 -84.1 114.5 14.9 13.2 15.3 95 105 A T >> - 0 0 67 -2,-0.8 4,-1.6 1,-0.2 3,-0.7 -0.637 16.0-166.8 -77.9 103.8 18.0 13.2 13.0 96 106 A L H 3> S+ 0 0 0 -2,-0.9 4,-3.2 1,-0.2 5,-0.3 0.887 86.4 60.9 -57.9 -41.4 20.8 15.1 14.8 97 107 A A H 3> S+ 0 0 55 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.874 104.5 49.8 -53.7 -39.9 22.8 15.3 11.5 98 108 A Q H <> S+ 0 0 129 -3,-0.7 4,-2.0 2,-0.2 -1,-0.2 0.900 113.2 45.4 -66.8 -41.8 20.0 17.3 9.9 99 109 A L H X S+ 0 0 23 -4,-1.6 4,-2.9 2,-0.2 5,-0.3 0.938 111.6 51.1 -67.9 -47.0 19.8 19.7 12.9 100 110 A Y H X S+ 0 0 30 -4,-3.2 4,-3.0 1,-0.2 5,-0.3 0.921 109.4 52.4 -56.4 -44.9 23.5 20.2 13.1 101 111 A H H X S+ 0 0 136 -4,-2.1 4,-2.3 -5,-0.3 -1,-0.2 0.953 112.4 44.1 -56.2 -53.3 23.7 20.9 9.4 102 112 A H H X S+ 0 0 82 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.954 115.7 45.6 -58.3 -54.5 21.0 23.6 9.6 103 113 A W H >X S+ 0 0 0 -4,-2.9 4,-0.9 1,-0.2 3,-0.7 0.929 114.0 49.4 -55.9 -48.0 22.3 25.3 12.8 104 114 A G H >< S+ 0 0 4 -4,-3.0 3,-0.6 -5,-0.3 7,-0.4 0.881 107.5 56.3 -58.4 -38.2 25.8 25.3 11.4 105 115 A S H 3< S+ 0 0 85 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.788 116.2 34.6 -64.1 -30.6 24.5 26.7 8.2 106 116 A V H << S+ 0 0 62 -4,-1.4 2,-0.2 -3,-0.7 -1,-0.2 0.371 120.8 47.8-106.8 1.8 23.0 29.7 10.0 107 117 A D XX - 0 0 9 -4,-0.9 4,-2.1 -3,-0.6 3,-0.8 -0.705 59.2-166.2-148.6 90.7 25.6 30.2 12.7 108 118 A S H 3> S+ 0 0 106 1,-0.3 4,-1.2 -2,-0.2 -1,-0.1 0.806 94.4 51.9 -43.8 -37.5 29.2 30.2 11.8 109 119 A H H 3> S+ 0 0 43 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.891 104.2 53.8 -71.4 -40.4 30.1 29.8 15.4 110 120 A F H <> S+ 0 0 0 -3,-0.8 4,-3.3 -7,-0.2 5,-0.2 0.941 106.6 54.6 -58.2 -45.2 27.8 26.8 16.0 111 121 A Q H X S+ 0 0 112 -4,-2.1 4,-0.9 -7,-0.4 -1,-0.2 0.863 105.8 52.2 -54.9 -39.7 29.6 25.1 13.1 112 122 A E H < S+ 0 0 68 -4,-1.2 4,-0.4 -5,-0.2 -1,-0.2 0.878 117.4 36.4 -66.3 -39.9 33.0 25.6 14.7 113 123 A V H >X S+ 0 0 32 -4,-1.8 3,-1.0 -3,-0.2 4,-0.7 0.832 107.8 65.2 -81.8 -34.2 31.9 24.1 18.1 114 124 A A H >< S+ 0 0 13 -4,-3.3 3,-0.6 -5,-0.3 -1,-0.2 0.778 88.8 71.5 -58.5 -27.3 29.7 21.4 16.5 115 125 A Q T 3< S+ 0 0 160 -4,-0.9 3,-0.3 1,-0.2 -1,-0.3 0.911 108.1 31.3 -56.4 -44.7 32.9 19.9 14.9 116 126 A K T <4 S+ 0 0 73 -3,-1.0 -1,-0.2 -4,-0.4 -2,-0.2 0.392 118.5 53.4 -97.7 1.6 34.1 18.7 18.3 117 127 A F X< + 0 0 43 -4,-0.7 3,-0.5 -3,-0.6 -1,-0.2 -0.426 66.7 156.1-136.0 64.1 30.8 17.9 20.0 118 128 A Q T 3 + 0 0 34 -3,-0.3 -94,-0.1 1,-0.2 3,-0.1 -0.370 54.4 43.9 -81.6 165.2 28.7 15.6 17.9 119 129 A G T 3 + 0 0 0 -96,-1.1 -93,-2.2 1,-0.2 2,-0.7 0.597 69.5 140.3 78.6 10.9 26.0 13.4 19.3 120 130 A V < + 0 0 2 -3,-0.5 2,-0.2 -95,-0.2 -1,-0.2 -0.807 22.5 146.3 -91.9 117.6 24.4 15.9 21.7 121 131 A R - 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0 0 31 -3,-1.2 2,-0.2 4,-0.0 -1,-0.2 -0.999 59.9-129.4-150.7 145.7 22.9 24.6 42.1 141 151 A N > - 0 0 90 -2,-0.3 4,-2.4 -3,-0.1 5,-0.2 -0.561 35.7-110.4 -88.9 156.9 25.7 22.7 40.4 142 152 A I H > S+ 0 0 47 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.858 113.9 51.7 -55.0 -45.1 25.1 19.4 38.6 143 153 A A H > S+ 0 0 74 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.917 113.7 44.9 -61.7 -42.2 27.0 17.1 41.0 144 154 A R H > S+ 0 0 103 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.889 112.2 51.6 -69.0 -38.4 25.0 18.5 43.9 145 155 A I H X S+ 0 0 6 -4,-2.4 4,-2.5 1,-0.2 5,-0.3 0.945 107.4 53.9 -61.8 -46.2 21.8 18.3 42.0 146 156 A T H X S+ 0 0 27 -4,-2.9 4,-1.5 1,-0.2 -1,-0.2 0.828 108.1 51.6 -57.2 -33.3 22.5 14.7 41.2 147 157 A G H X S+ 0 0 11 -4,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.923 110.0 45.5 -72.1 -45.3 23.0 14.1 44.9 148 158 A M H X S+ 0 0 1 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.954 113.2 50.5 -62.2 -50.1 19.7 15.5 46.1 149 159 A V H X S+ 0 0 2 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.868 110.4 50.1 -57.5 -39.3 17.7 13.8 43.4 150 160 A E H X S+ 0 0 86 -4,-1.5 4,-2.3 -5,-0.3 -1,-0.2 0.955 112.7 45.1 -65.1 -49.9 19.3 10.5 44.3 151 161 A R H X S+ 0 0 101 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.866 112.0 54.4 -61.1 -36.8 18.6 10.8 48.0 152 162 A L H X S+ 0 0 2 -4,-2.8 4,-2.4 2,-0.2 5,-0.4 0.952 111.4 42.8 -61.1 -52.0 15.0 12.0 47.1 153 163 A C H X S+ 0 0 1 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.839 113.2 53.4 -64.9 -34.0 14.3 8.9 45.0 154 164 A Q H < S+ 0 0 113 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.906 114.4 41.5 -68.0 -39.8 15.9 6.6 47.5 155 165 A A H < S+ 0 0 38 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.808 135.4 13.9 -78.2 -33.3 13.7 8.0 50.3 156 166 A F H < S+ 0 0 44 -4,-2.4 17,-0.4 -5,-0.2 -3,-0.2 0.452 103.4 97.3-124.0 -2.5 10.4 8.2 48.5 157 167 A G S < S- 0 0 12 -4,-2.1 2,-0.2 -5,-0.4 14,-0.2 -0.582 79.0-100.6 -91.2 153.8 10.9 6.2 45.3 158 168 A P - 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