==== 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 1YQL . 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) . 14056.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 211 67.2 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 . 26 8.3 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 . 3 1.0 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 . 1 0.3 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 . 37 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 121 38.5 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 1 1 2 2 2 0 0 2 2 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 96 0, 0.0 10,-0.0 0, 0.0 9,-0.0 0.000 360.0 360.0 360.0 146.1 29.0 -13.4 36.0 2 10 A E + 0 0 150 4,-0.0 2,-0.3 73,-0.0 4,-0.1 0.586 360.0 63.2 -73.2 -11.4 25.3 -13.6 37.1 3 11 A F S S+ 0 0 161 2,-0.1 160,-0.1 160,-0.1 2,-0.0 -0.760 83.0 23.0-118.5 164.5 25.8 -10.7 39.6 4 12 A G S S- 0 0 11 -2,-0.3 2,-0.3 158,-0.2 158,-0.0 -0.220 104.2 -30.8 80.2-176.0 26.7 -7.0 39.6 5 13 A H S S- 0 0 23 158,-0.1 -2,-0.1 1,-0.1 43,-0.0 -0.588 71.0-126.8 -76.9 138.4 26.3 -4.6 36.7 6 14 A R - 0 0 30 -2,-0.3 2,-0.3 -4,-0.1 37,-0.2 -0.121 19.8-160.8 -76.7 175.7 26.7 -6.3 33.3 7 15 A T > - 0 0 35 1,-0.1 4,-1.8 50,-0.1 8,-0.1 -0.961 34.9-106.5-152.9 157.9 29.1 -5.4 30.5 8 16 A L T 4 S+ 0 0 50 -2,-0.3 6,-0.1 1,-0.2 7,-0.1 0.896 121.7 41.5 -56.7 -41.3 29.1 -6.2 26.7 9 17 A A T 4 S+ 0 0 84 2,-0.1 -1,-0.2 1,-0.1 -3,-0.0 0.988 112.2 53.9 -67.2 -62.5 32.0 -8.5 27.3 10 18 A S T 4 S+ 0 0 56 1,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.866 123.0 19.2 -38.8 -65.1 30.8 -10.2 30.5 11 19 A T S >< S+ 0 0 20 -4,-1.8 3,-2.8 1,-0.2 -1,-0.2 -0.452 70.9 173.8-117.6 64.0 27.4 -11.3 29.5 12 20 A P G > S+ 0 0 92 0, 0.0 3,-1.2 0, 0.0 -1,-0.2 0.738 75.7 51.0 -31.8 -54.3 27.3 -11.5 25.6 13 21 A A G 3 S+ 0 0 88 1,-0.2 64,-0.5 64,-0.0 -5,-0.1 0.471 97.0 70.2 -74.7 -0.9 23.9 -13.0 25.1 14 22 A L G < S+ 0 0 32 -3,-2.8 55,-0.4 62,-0.1 2,-0.3 0.422 87.1 80.0 -96.5 2.9 22.1 -10.6 27.4 15 23 A W < - 0 0 22 -3,-1.2 2,-0.3 -4,-0.2 53,-0.2 -0.715 52.4-168.9-111.7 160.4 22.4 -7.6 25.1 16 24 A A E -A 67 0A 21 51,-1.9 51,-2.7 -2,-0.3 2,-0.2 -0.993 20.0-127.3-144.4 141.9 20.6 -6.3 22.0 17 25 A S E -A 66 0A 51 -2,-0.3 49,-0.2 49,-0.2 47,-0.1 -0.520 9.9-160.8 -95.5 160.0 21.6 -3.5 19.6 18 26 A I E -A 65 0A 5 47,-1.1 47,-2.1 -2,-0.2 -2,-0.0 -0.985 38.5-113.0-132.4 115.8 19.8 -0.4 18.3 19 27 A P E +A 64 0A 95 0, 0.0 45,-0.2 0, 0.0 44,-0.0 -0.335 59.3 143.1 -54.0 126.5 21.5 0.8 15.2 20 28 A C - 0 0 5 43,-3.3 41,-0.2 41,-0.0 2,-0.1 -0.633 39.6-144.4-171.7 107.5 23.0 4.2 16.1 21 29 A P >> - 0 0 33 0, 0.0 3,-2.9 0, 0.0 4,-0.7 -0.464 32.1-113.5 -74.4 148.6 26.3 5.8 15.0 22 30 A R G >4 S+ 0 0 82 40,-1.6 3,-0.5 1,-0.3 41,-0.1 0.745 115.2 68.9 -52.4 -25.3 28.2 7.9 17.5 23 31 A S G 34 S+ 0 0 68 39,-0.3 96,-1.0 1,-0.2 -1,-0.3 0.697 101.6 45.1 -69.3 -18.0 27.4 10.9 15.3 24 32 A E G <4 S+ 0 0 24 -3,-2.9 2,-0.3 1,-0.3 -1,-0.2 0.549 128.3 8.1 -99.9 -10.6 23.7 10.6 16.3 25 33 A L << - 0 0 0 -4,-0.7 2,-0.4 -3,-0.5 -1,-0.3 -0.879 49.7-171.2-171.3 135.7 24.3 10.0 20.0 26 34 A R >> - 0 0 49 93,-2.3 3,-2.0 -2,-0.3 4,-0.9 -0.874 9.0-163.0-136.0 102.2 27.1 10.1 22.6 27 35 A L H >> S+ 0 0 3 -2,-0.4 4,-2.1 1,-0.3 3,-1.3 0.883 91.2 55.9 -46.8 -50.9 26.2 8.8 26.1 28 36 A D H 34 S+ 0 0 52 1,-0.3 -1,-0.3 2,-0.2 13,-0.0 0.641 112.5 43.9 -61.3 -14.8 29.1 10.4 27.8 29 37 A L H <4 S+ 0 0 8 -3,-2.0 -1,-0.3 90,-0.2 -2,-0.2 0.495 124.8 30.8-107.6 -6.7 28.0 13.8 26.4 30 38 A V H X<>S+ 0 0 0 -3,-1.3 3,-1.4 -4,-0.9 5,-0.6 0.771 110.6 54.6-114.3 -54.6 24.3 13.5 27.2 31 39 A L T 3<5S+ 0 0 2 -4,-2.1 8,-0.4 1,-0.3 3,-0.3 0.766 117.5 34.5 -58.8 -33.5 23.7 11.3 30.3 32 40 A P T 3 5S+ 0 0 46 0, 0.0 -1,-0.3 0, 0.0 -4,-0.1 0.211 94.5 95.7-107.6 16.9 25.9 13.3 32.7 33 41 A S T < 5S- 0 0 2 -3,-1.4 -2,-0.1 3,-0.1 4,-0.1 0.204 105.1 -90.9 -92.1 12.5 25.2 16.7 31.1 34 42 A G T 5S+ 0 0 9 2,-0.5 3,-0.2 -3,-0.3 -3,-0.1 0.670 102.7 98.9 91.0 13.2 22.4 18.0 33.4 35 43 A Q S S- 0 0 26 3,-0.4 3,-2.3 -3,-0.2 -1,-0.1 -0.793 114.7 -71.0-107.9 155.9 31.9 0.4 34.6 44 52 A P T 3 S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.153 118.2 1.2 -49.5 136.2 33.8 2.4 31.9 45 53 A A T 3 S+ 0 0 52 1,-0.2 2,-0.5 -4,-0.1 15,-0.4 0.592 109.4 110.5 60.5 13.0 31.6 3.3 28.9 46 54 A H < - 0 0 21 -3,-2.3 2,-0.5 13,-0.1 -3,-0.4 -0.966 50.2-165.3-120.7 120.6 28.6 1.6 30.6 47 55 A W E - C 0 58A 19 11,-3.4 11,-2.6 -2,-0.5 2,-0.4 -0.910 3.5-170.2-110.6 128.6 25.8 3.7 31.9 48 56 A S E +BC 40 57A 1 -8,-3.0 -8,-2.0 -2,-0.5 2,-0.3 -0.948 24.7 122.4-118.5 134.7 23.1 2.3 34.3 49 57 A G E -BC 39 56A 0 7,-1.9 7,-2.8 -2,-0.4 2,-0.5 -0.961 60.3 -70.4-169.0-178.6 19.9 4.0 35.3 50 58 A V E + C 0 55A 20 -12,-0.5 2,-0.4 -2,-0.3 5,-0.2 -0.788 46.7 171.0 -93.5 131.9 16.1 3.7 35.4 51 59 A L E > - C 0 54A 6 3,-3.2 3,-1.3 -2,-0.5 35,-0.1 -0.982 68.7 -9.6-142.5 124.4 14.4 3.9 32.1 52 60 A A T 3 S- 0 0 53 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.947 129.0 -53.6 50.1 55.5 10.7 3.2 31.6 53 61 A D T 3 S+ 0 0 135 1,-0.1 2,-0.3 -3,-0.1 -1,-0.2 0.587 123.2 88.5 58.5 14.8 10.3 1.8 35.1 54 62 A Q E < S-C 51 0A 48 -3,-1.3 -3,-3.2 106,-0.0 2,-0.5 -0.909 80.0-107.1-135.1 163.6 13.1 -0.7 34.7 55 63 A V E +CD 50 70A 1 15,-1.1 15,-3.2 -2,-0.3 2,-0.3 -0.805 40.9 177.4 -96.3 130.9 16.9 -0.7 35.2 56 64 A W E -CD 49 69A 2 -7,-2.8 -7,-1.9 -2,-0.5 2,-0.4 -0.858 22.8-151.2-128.4 162.7 19.1 -0.6 32.1 57 65 A T E -CD 48 68A 0 11,-2.2 11,-1.7 -2,-0.3 2,-0.4 -0.993 19.0-169.0-132.0 137.4 22.8 -0.5 31.2 58 66 A L E +CD 47 67A 0 -11,-2.6 -11,-3.4 -2,-0.4 2,-0.3 -0.977 14.7 161.8-132.2 145.1 23.9 1.1 28.0 59 67 A T E - D 0 66A 9 7,-1.8 7,-2.6 -2,-0.4 2,-0.3 -0.955 22.6-143.5-157.5 140.6 27.2 1.2 26.2 60 68 A Q E - D 0 65A 30 -15,-0.4 5,-0.2 -2,-0.3 2,-0.2 -0.847 9.4-163.8-119.4 152.2 27.9 2.0 22.6 61 69 A T - 0 0 58 3,-2.5 -39,-0.1 -2,-0.3 -41,-0.0 -0.499 55.6 -76.4-109.4-174.6 30.3 0.9 19.8 62 70 A E S S+ 0 0 124 1,-0.2 -40,-1.6 -2,-0.2 -39,-0.3 0.814 126.8 11.0 -60.4 -32.1 30.9 2.9 16.7 63 71 A E S S+ 0 0 108 -42,-0.2 -43,-3.3 -41,-0.1 2,-0.3 0.526 120.2 65.1-122.6 -9.9 27.6 2.0 15.0 64 72 A Q E -A 19 0A 62 -45,-0.2 -3,-2.5 -47,-0.1 2,-0.7 -0.859 59.3-146.6-120.6 152.4 25.5 0.3 17.6 65 73 A L E -AD 18 60A 0 -47,-2.1 -47,-1.1 -2,-0.3 2,-0.5 -0.962 28.1-150.7-110.5 108.5 23.9 1.3 20.9 66 74 A H E -AD 17 59A 22 -7,-2.6 -7,-1.8 -2,-0.7 2,-0.4 -0.728 15.8-171.6 -87.8 128.2 24.1 -1.8 23.1 67 75 A C E +AD 16 58A 0 -51,-2.7 -51,-1.9 -2,-0.5 2,-0.3 -0.911 13.6 177.6-123.2 146.7 21.3 -2.2 25.7 68 76 A T E - D 0 57A 0 -11,-1.7 -11,-2.2 -2,-0.4 2,-0.4 -0.992 13.1-156.7-142.7 140.8 20.7 -4.7 28.5 69 77 A V E - D 0 56A 1 -55,-0.4 2,-0.6 7,-0.4 7,-0.4 -0.948 9.1-149.9-126.5 143.4 17.8 -4.6 31.0 70 78 A Y E D 0 55A 14 -15,-3.2 -15,-1.1 -2,-0.4 91,-0.0 -0.938 360.0 360.0-111.7 114.5 17.3 -6.0 34.5 71 79 A R 0 0 99 -2,-0.6 -1,-0.1 -17,-0.1 3,-0.1 0.730 360.0 360.0 -90.4 360.0 13.8 -7.0 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 0 141 0, 0.0 -2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 156.5 12.0 -14.2 35.5 74 84 A Q - 0 0 87 1,-0.1 -3,-0.1 -3,-0.1 0, 0.0 -0.304 360.0-102.1 -63.2 143.2 15.0 -15.6 33.8 75 85 A A + 0 0 63 -5,-0.0 2,-0.3 -4,-0.0 -1,-0.1 -0.332 56.9 153.0 -63.0 147.7 17.6 -13.1 32.5 76 86 A S - 0 0 52 -7,-0.4 -7,-0.4 -62,-0.2 -62,-0.1 -0.973 47.0 -74.5-171.6 159.9 17.4 -12.4 28.8 77 87 A R - 0 0 39 -64,-0.5 -62,-0.2 -2,-0.3 2,-0.1 -0.092 64.9 -86.4 -56.5 159.3 18.1 -9.9 26.0 78 88 A P - 0 0 10 0, 0.0 -1,-0.1 0, 0.0 -11,-0.1 -0.446 44.3-118.8 -71.0 146.0 15.7 -6.9 25.8 79 89 A T > - 0 0 60 -2,-0.1 4,-2.7 -3,-0.1 5,-0.2 -0.359 26.9-105.5 -78.6 163.8 12.5 -7.4 23.8 80 90 A P H > S+ 0 0 105 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.888 122.4 50.4 -57.1 -39.6 11.8 -5.3 20.7 81 91 A D H > S+ 0 0 131 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.905 109.9 49.1 -65.5 -42.4 9.2 -3.3 22.6 82 92 A E H > S+ 0 0 31 1,-0.2 4,-1.3 2,-0.2 3,-0.2 0.937 112.7 48.0 -60.9 -47.4 11.6 -2.7 25.5 83 93 A L H X S+ 0 0 24 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.828 105.3 60.1 -61.5 -33.9 14.2 -1.5 23.0 84 94 A E H X S+ 0 0 78 -4,-1.8 4,-2.3 -5,-0.2 -1,-0.2 0.907 101.1 53.6 -61.1 -42.1 11.5 0.6 21.4 85 95 A A H X S+ 0 0 33 -4,-1.8 4,-2.3 -3,-0.2 -1,-0.2 0.866 108.4 50.8 -60.8 -35.8 11.1 2.5 24.7 86 96 A V H X S+ 0 0 0 -4,-1.3 4,-1.7 2,-0.2 -2,-0.2 0.947 108.5 49.5 -67.4 -47.7 14.9 3.1 24.6 87 97 A R H <>S+ 0 0 66 -4,-2.6 5,-2.0 1,-0.2 6,-0.3 0.871 112.5 51.1 -57.1 -36.1 14.7 4.5 21.1 88 98 A K H ><5S+ 0 0 128 -4,-2.3 3,-1.3 1,-0.2 -1,-0.2 0.906 103.7 56.0 -67.4 -45.0 11.9 6.7 22.3 89 99 A Y H 3<5S+ 0 0 29 -4,-2.3 35,-2.4 1,-0.3 -1,-0.2 0.821 114.9 38.9 -58.8 -33.9 13.8 7.9 25.3 90 100 A F T 3<5S- 0 0 0 -4,-1.7 -1,-0.3 33,-0.2 -2,-0.2 0.361 102.8-133.1 -97.6 4.5 16.6 9.2 23.1 91 101 A Q T X 5 + 0 0 35 -3,-1.3 3,-2.8 -4,-0.2 -3,-0.2 0.871 35.8 175.3 44.7 46.2 14.2 10.4 20.4 92 102 A L T 3 < + 0 0 19 -5,-2.0 -1,-0.2 1,-0.3 4,-0.1 0.643 67.0 74.4 -57.0 -14.6 16.4 8.6 17.8 93 103 A D T 3 S+ 0 0 140 -6,-0.3 2,-0.7 2,-0.1 -1,-0.3 0.652 77.9 83.6 -73.4 -15.8 13.8 9.5 15.2 94 104 A V S < S- 0 0 27 -3,-2.8 2,-0.8 -4,-0.1 3,-0.1 -0.833 87.3-134.0 -88.1 118.5 15.1 13.1 15.3 95 105 A T >> - 0 0 66 -2,-0.7 4,-1.7 1,-0.2 3,-0.6 -0.651 15.7-164.4 -79.5 107.4 18.1 13.1 13.0 96 106 A L H 3> S+ 0 0 0 -2,-0.8 4,-2.8 1,-0.2 5,-0.2 0.818 88.1 60.0 -60.6 -31.8 21.0 14.8 14.7 97 107 A A H 3> S+ 0 0 56 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.892 105.3 48.1 -63.6 -39.9 22.9 15.1 11.4 98 108 A Q H <> S+ 0 0 129 -3,-0.6 4,-2.1 2,-0.2 -2,-0.2 0.906 114.3 46.0 -67.4 -42.2 20.0 17.2 9.9 99 109 A L H X S+ 0 0 24 -4,-1.7 4,-2.8 2,-0.2 5,-0.3 0.927 112.5 49.0 -67.4 -45.5 19.8 19.5 12.9 100 110 A Y H X S+ 0 0 29 -4,-2.8 4,-2.9 1,-0.2 -1,-0.2 0.899 110.3 53.4 -61.2 -39.7 23.6 20.0 13.2 101 111 A H H X S+ 0 0 130 -4,-2.0 4,-2.3 -5,-0.2 -2,-0.2 0.964 112.3 42.6 -58.7 -54.8 23.7 20.8 9.4 102 112 A H H X S+ 0 0 84 -4,-2.1 4,-1.4 2,-0.2 5,-0.2 0.959 115.5 47.7 -58.0 -54.7 21.0 23.4 9.7 103 113 A W H >X S+ 0 0 1 -4,-2.8 4,-2.0 1,-0.2 3,-0.8 0.935 111.9 53.0 -53.4 -46.3 22.4 25.0 12.8 104 114 A G H 3< S+ 0 0 6 -4,-2.9 7,-0.4 -5,-0.3 -1,-0.2 0.883 107.3 49.4 -57.2 -42.1 25.8 25.0 11.3 105 115 A S H 3< S+ 0 0 84 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.700 117.8 40.8 -72.7 -18.3 24.7 26.8 8.1 106 116 A V H << S+ 0 0 70 -4,-1.4 2,-0.4 -3,-0.8 -1,-0.2 0.635 119.6 42.6-101.8 -18.9 23.0 29.5 10.1 107 117 A D X - 0 0 8 -4,-2.0 4,-2.2 -5,-0.2 3,-0.4 -0.868 59.2-167.0-136.7 100.8 25.5 29.9 12.8 108 118 A S H > S+ 0 0 107 -2,-0.4 4,-1.5 1,-0.3 -1,-0.1 0.821 94.4 52.3 -53.7 -34.2 29.2 30.0 11.9 109 119 A H H > S+ 0 0 44 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.878 104.9 52.5 -72.7 -38.2 30.1 29.6 15.6 110 120 A F H > S+ 0 0 0 -3,-0.4 4,-3.3 -7,-0.2 5,-0.2 0.906 105.4 58.7 -62.3 -39.0 27.8 26.6 16.1 111 121 A Q H X S+ 0 0 118 -4,-2.2 4,-1.6 -7,-0.4 -1,-0.2 0.929 106.7 46.3 -52.5 -51.1 29.7 25.1 13.1 112 122 A E H X S+ 0 0 70 -4,-1.5 4,-0.6 1,-0.2 3,-0.3 0.952 118.3 39.7 -58.6 -55.5 33.0 25.4 14.8 113 123 A V H >X S+ 0 0 33 -4,-2.1 3,-0.9 1,-0.2 4,-0.9 0.872 109.7 61.4 -64.2 -38.5 31.9 24.0 18.2 114 124 A A H >< S+ 0 0 8 -4,-3.3 3,-0.8 -5,-0.3 -1,-0.2 0.867 90.7 67.1 -57.2 -40.7 29.8 21.3 16.5 115 125 A Q H 3< S+ 0 0 90 -4,-1.6 3,-0.3 -3,-0.3 -1,-0.2 0.859 110.8 35.4 -50.2 -38.1 32.7 19.7 14.8 116 126 A K H << S+ 0 0 68 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.539 117.1 51.5 -96.3 -9.2 34.1 18.6 18.2 117 127 A F << + 0 0 46 -4,-0.9 3,-0.5 -3,-0.8 -1,-0.2 -0.494 69.5 157.4-129.4 67.7 30.8 17.9 20.1 118 128 A Q + 0 0 32 -3,-0.3 -94,-0.1 1,-0.2 3,-0.1 -0.398 52.4 43.2 -85.0 163.5 28.7 15.5 18.0 119 129 A G + 0 0 0 -96,-1.0 -93,-2.3 1,-0.2 2,-0.7 0.644 69.5 140.3 78.4 15.9 26.0 13.2 19.4 120 130 A V + 0 0 1 -3,-0.5 2,-0.2 -95,-0.2 -1,-0.2 -0.838 21.5 149.4 -96.9 113.7 24.4 15.7 21.8 121 131 A R - 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