==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA BINDING PROTEIN 16-MAY-01 1J7K . COMPND 2 MOLECULE: HOLLIDAY JUNCTION DNA HELICASE RUVB; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR C.D.PUTNAM,S.B.CLANCY,H.TSURUTA,J.G.WETMUR,J.A.TAINER . 299 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15000.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 222 74.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 8.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 3.0 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 . 2 0.7 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 . 18 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 117 39.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 4.0 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 3 0 1 1 1 1 1 2 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 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 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 1 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 19 A L 0 0 106 0, 0.0 165,-0.1 0, 0.0 190,-0.0 0.000 360.0 360.0 360.0 0.9 60.0 -29.2 -32.8 2 20 A R - 0 0 134 1,-0.1 7,-0.0 7,-0.0 43,-0.0 -0.514 360.0-112.7 -80.1 145.8 58.8 -25.9 -31.4 3 21 A P - 0 0 34 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.286 14.2-152.6 -72.0 162.3 55.2 -25.4 -30.2 4 22 A K S S+ 0 0 135 1,-0.2 2,-0.3 48,-0.0 51,-0.1 0.542 73.5 30.6-112.7 -12.8 52.8 -23.2 -32.1 5 23 A S S > S- 0 0 22 1,-0.1 3,-1.0 50,-0.1 4,-0.5 -0.944 80.1-111.1-142.3 163.1 50.4 -22.1 -29.2 6 24 A L G > S+ 0 0 11 -2,-0.3 3,-0.8 1,-0.3 -1,-0.1 0.811 117.2 61.0 -64.1 -30.3 50.6 -21.6 -25.5 7 25 A D G 3 S+ 0 0 158 1,-0.2 -1,-0.3 3,-0.0 9,-0.0 0.740 105.0 48.5 -67.8 -23.3 48.4 -24.7 -25.0 8 26 A E G < S+ 0 0 97 -3,-1.0 2,-0.6 2,-0.1 -1,-0.2 0.506 90.4 102.5 -92.9 -6.9 51.1 -26.7 -26.7 9 27 A F < - 0 0 13 -3,-0.8 2,-0.4 -4,-0.5 -7,-0.0 -0.692 62.5-149.3 -85.3 119.6 53.9 -25.1 -24.5 10 28 A I - 0 0 45 -2,-0.6 -2,-0.1 145,-0.0 -3,-0.0 -0.714 56.4 -7.0 -89.4 133.4 55.1 -27.4 -21.7 11 29 A G S S+ 0 0 1 -2,-0.4 5,-0.2 1,-0.1 140,-0.1 -0.224 77.4 99.8 82.4-172.3 56.3 -25.8 -18.4 12 30 A Q > + 0 0 13 3,-0.1 4,-2.8 138,-0.1 5,-0.2 0.924 45.2 170.9 54.2 48.9 56.9 -22.1 -17.5 13 31 A E H > S+ 0 0 104 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.899 70.9 52.0 -56.8 -45.9 53.5 -22.0 -15.7 14 32 A N H > S+ 0 0 87 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.897 114.8 43.5 -58.4 -42.6 54.1 -18.6 -14.1 15 33 A V H > S+ 0 0 1 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.925 111.3 53.1 -69.5 -46.8 55.0 -17.1 -17.4 16 34 A K H X S+ 0 0 33 -4,-2.8 4,-3.3 1,-0.2 5,-0.2 0.924 108.5 48.5 -56.5 -49.5 52.2 -18.8 -19.4 17 35 A K H X S+ 0 0 129 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.894 114.2 46.0 -62.2 -38.5 49.4 -17.6 -17.1 18 36 A K H X S+ 0 0 111 -4,-1.3 4,-1.7 -5,-0.2 -2,-0.2 0.958 118.1 42.4 -67.3 -49.6 50.6 -14.0 -17.1 19 37 A L H X S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.2 5,-0.2 0.909 112.0 54.5 -63.0 -43.1 51.1 -13.9 -20.9 20 38 A S H X S+ 0 0 44 -4,-3.3 4,-2.9 -5,-0.3 5,-0.4 0.896 105.7 53.4 -58.9 -42.7 47.8 -15.8 -21.6 21 39 A L H X S+ 0 0 131 -4,-1.8 4,-1.8 -5,-0.2 -1,-0.2 0.950 115.7 38.2 -58.3 -51.4 45.8 -13.2 -19.6 22 40 A A H X S+ 0 0 26 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.890 118.0 50.6 -67.9 -40.3 47.2 -10.3 -21.6 23 41 A L H X S+ 0 0 0 -4,-3.0 4,-2.1 -5,-0.2 -2,-0.2 0.944 112.3 43.8 -64.0 -51.9 47.2 -12.1 -24.9 24 42 A E H X S+ 0 0 72 -4,-2.9 4,-2.6 -5,-0.2 -1,-0.2 0.914 114.9 49.9 -62.6 -42.1 43.6 -13.3 -24.8 25 43 A A H X S+ 0 0 25 -4,-1.8 4,-1.9 -5,-0.4 6,-0.2 0.950 110.7 49.1 -60.6 -50.4 42.3 -10.0 -23.5 26 44 A A H <>S+ 0 0 6 -4,-2.4 5,-2.5 1,-0.2 4,-0.4 0.872 112.6 48.7 -57.8 -38.9 44.2 -8.1 -26.3 27 45 A K H ><5S+ 0 0 73 -4,-2.1 3,-1.0 3,-0.2 -1,-0.2 0.935 108.4 52.6 -68.5 -44.5 42.8 -10.5 -28.9 28 46 A M H 3<5S+ 0 0 164 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.819 116.7 39.6 -60.3 -32.6 39.2 -10.2 -27.6 29 47 A R T 3<5S- 0 0 143 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.436 107.9-125.5 -95.7 -0.8 39.4 -6.4 -27.8 30 48 A G T < 5 + 0 0 61 -3,-1.0 -3,-0.2 -4,-0.4 2,-0.2 0.826 61.8 147.6 60.2 30.8 41.3 -6.5 -31.1 31 49 A E < - 0 0 109 -5,-2.5 2,-0.4 -6,-0.2 -1,-0.2 -0.598 58.4 -98.9 -97.9 159.5 44.0 -4.3 -29.4 32 50 A V - 0 0 37 -2,-0.2 90,-0.1 -3,-0.1 3,-0.1 -0.631 48.5-112.1 -75.9 127.3 47.7 -4.2 -29.9 33 51 A L - 0 0 5 -2,-0.4 91,-0.2 52,-0.2 3,-0.1 -0.337 33.6-104.8 -62.0 140.4 49.3 -6.3 -27.1 34 52 A D - 0 0 108 1,-0.1 -1,-0.1 89,-0.1 108,-0.1 -0.265 52.2 -79.3 -63.0 153.8 51.4 -4.3 -24.6 35 53 A H - 0 0 24 106,-0.3 109,-1.5 87,-0.1 108,-0.7 -0.240 50.7-151.8 -57.4 141.2 55.2 -4.6 -25.0 36 54 A V E -ab 125 144A 0 88,-2.6 90,-2.5 107,-0.2 2,-0.5 -0.962 11.0-160.4-124.9 134.2 56.7 -7.8 -23.5 37 55 A L E -ab 126 145A 0 107,-3.3 109,-3.7 -2,-0.4 2,-0.5 -0.947 6.5-164.4-113.8 125.6 60.1 -8.6 -22.1 38 56 A L E +ab 127 146A 0 88,-2.9 90,-2.0 -2,-0.5 2,-0.4 -0.952 14.7 177.1-109.5 124.0 61.3 -12.2 -21.9 39 57 A A E +ab 128 147A 0 107,-2.6 109,-3.0 -2,-0.5 90,-0.2 -0.980 21.9 92.3-132.4 142.7 64.3 -12.8 -19.6 40 58 A G S S- 0 0 4 88,-1.6 4,-0.1 -2,-0.4 109,-0.1 -0.785 71.3 -52.0 154.7 162.6 66.1 -16.0 -18.5 41 59 A P S > S- 0 0 21 0, 0.0 3,-0.9 0, 0.0 226,-0.1 -0.035 72.8 -76.6 -56.3 163.2 69.1 -18.2 -19.5 42 60 A P T 3 S+ 0 0 38 0, 0.0 146,-0.1 0, 0.0 87,-0.0 -0.203 111.2 27.3 -61.0 149.3 69.5 -19.6 -23.0 43 61 A G T 3 S+ 0 0 10 -3,-0.1 145,-2.1 145,-0.1 144,-0.2 0.592 82.9 113.3 76.8 13.0 67.4 -22.5 -24.3 44 62 A L S < S- 0 0 1 -3,-0.9 105,-0.1 143,-0.2 -1,-0.1 0.523 93.3 -93.7 -93.9 -6.6 64.4 -21.8 -22.0 45 63 A G S > S+ 0 0 14 -5,-0.1 4,-2.7 103,-0.1 5,-0.2 0.643 80.0 132.5 107.6 16.3 61.9 -20.9 -24.7 46 64 A K H > S+ 0 0 14 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.954 83.3 42.2 -63.6 -49.3 62.0 -17.1 -25.0 47 65 A T H > S+ 0 0 29 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.895 114.1 53.6 -63.1 -40.6 62.3 -17.2 -28.8 48 66 A T H > S+ 0 0 17 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.926 109.5 47.4 -60.3 -46.3 59.7 -19.9 -28.9 49 67 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.859 106.1 58.7 -64.5 -35.9 57.3 -17.8 -26.9 50 68 A A H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.929 108.4 45.3 -60.2 -44.1 57.9 -14.8 -29.1 51 69 A H H X S+ 0 0 61 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.882 110.7 53.7 -66.6 -37.5 56.7 -16.7 -32.1 52 70 A I H X S+ 0 0 1 -4,-1.9 4,-3.1 2,-0.2 5,-0.3 0.913 104.3 56.6 -62.9 -41.1 53.7 -18.0 -30.2 53 71 A I H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.942 110.1 43.3 -55.9 -49.4 52.8 -14.5 -29.3 54 72 A A H X>S+ 0 0 2 -4,-1.7 5,-2.5 1,-0.2 4,-1.0 0.897 115.0 49.8 -63.9 -41.2 52.7 -13.5 -33.0 55 73 A S H <5S+ 0 0 54 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.900 110.8 48.8 -65.1 -41.7 50.8 -16.7 -34.0 56 74 A E H <5S+ 0 0 29 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.881 115.5 44.1 -65.2 -38.6 48.2 -16.2 -31.2 57 75 A L H <5S- 0 0 27 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.642 108.5-130.9 -78.8 -14.4 47.7 -12.6 -32.3 58 76 A Q T <5 + 0 0 178 -4,-1.0 -3,-0.2 1,-0.2 2,-0.2 0.831 65.4 124.1 65.6 34.5 47.7 -13.8 -35.9 59 77 A T < - 0 0 34 -5,-2.5 2,-0.3 -6,-0.2 -1,-0.2 -0.602 67.0 -88.2-115.0 178.3 50.2 -11.1 -36.9 60 78 A N - 0 0 82 -2,-0.2 27,-3.1 -3,-0.1 2,-0.4 -0.634 33.4-142.6 -89.3 145.7 53.6 -11.1 -38.5 61 79 A I E -c 87 0A 45 -2,-0.3 2,-0.6 25,-0.2 27,-0.2 -0.917 6.4-159.6-111.0 135.2 56.8 -11.5 -36.5 62 80 A H E -c 88 0A 43 25,-2.8 27,-2.5 -2,-0.4 2,-0.4 -0.947 13.6-155.8-115.3 109.5 60.0 -9.7 -37.4 63 81 A V E +c 89 0A 87 -2,-0.6 2,-0.3 25,-0.2 27,-0.2 -0.692 30.4 131.0 -90.9 135.5 63.1 -11.3 -35.9 64 82 A T E -c 90 0A 18 25,-2.0 27,-2.8 -2,-0.4 2,-0.3 -0.918 36.2-134.0-162.3-179.2 66.3 -9.4 -35.2 65 83 A S E >> -c 91 0A 18 25,-0.3 4,-1.6 -2,-0.3 3,-1.2 -0.992 25.8-113.4-149.9 153.0 68.9 -8.8 -32.5 66 84 A G T 34 S+ 0 0 2 25,-1.7 31,-0.3 -2,-0.3 3,-0.3 0.919 112.9 57.7 -51.2 -53.2 70.8 -5.9 -31.0 67 85 A P T 34 S+ 0 0 48 0, 0.0 -1,-0.2 0, 0.0 25,-0.1 0.750 108.3 50.1 -50.9 -26.6 74.2 -6.9 -32.3 68 86 A V T <4 S+ 0 0 90 -3,-1.2 2,-1.4 1,-0.2 3,-0.3 0.900 96.1 70.1 -80.5 -44.7 72.8 -6.8 -35.8 69 87 A L < + 0 0 4 -4,-1.6 28,-0.6 -3,-0.3 31,-0.2 -0.615 54.7 144.6 -79.0 92.6 71.2 -3.3 -35.6 70 88 A V + 0 0 83 -2,-1.4 2,-0.4 1,-0.1 30,-0.3 0.794 58.9 47.3 -98.3 -36.4 74.3 -1.1 -35.5 71 89 A K S >> S- 0 0 135 -3,-0.3 3,-1.9 28,-0.1 4,-1.2 -0.866 81.1-122.8-112.4 143.9 73.1 1.9 -37.5 72 90 A Q H 3> S+ 0 0 80 -2,-0.4 4,-2.7 1,-0.3 5,-0.2 0.787 110.4 67.0 -50.1 -30.7 69.8 3.8 -37.2 73 91 A G H 3> S+ 0 0 47 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.867 98.5 51.0 -60.3 -36.6 69.1 3.0 -40.8 74 92 A D H <> S+ 0 0 51 -3,-1.9 4,-1.4 2,-0.2 -1,-0.2 0.931 112.7 44.6 -66.3 -46.3 68.8 -0.7 -40.0 75 93 A M H X S+ 0 0 0 -4,-1.2 4,-2.4 1,-0.2 -2,-0.2 0.867 111.8 54.2 -65.6 -38.4 66.3 -0.0 -37.2 76 94 A A H X S+ 0 0 21 -4,-2.7 4,-2.3 1,-0.2 5,-0.2 0.936 104.2 53.7 -62.4 -47.4 64.4 2.4 -39.3 77 95 A A H X S+ 0 0 60 -4,-2.1 4,-0.6 1,-0.2 -1,-0.2 0.869 112.8 44.7 -55.6 -39.6 63.9 -0.1 -42.2 78 96 A I H >X S+ 0 0 32 -4,-1.4 3,-1.3 2,-0.2 4,-0.6 0.958 111.2 50.3 -70.9 -52.5 62.4 -2.6 -39.8 79 97 A L H >< S+ 0 0 0 -4,-2.4 3,-0.8 1,-0.3 41,-0.4 0.853 110.7 51.1 -54.4 -38.5 60.1 -0.3 -37.9 80 98 A T H 3< S+ 0 0 75 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.670 105.3 56.2 -75.2 -17.6 58.7 1.0 -41.2 81 99 A S H << S+ 0 0 60 -3,-1.3 2,-0.3 -4,-0.6 -1,-0.2 0.501 83.9 111.1 -91.0 -4.0 58.0 -2.5 -42.4 82 100 A L << - 0 0 4 -3,-0.8 38,-0.5 -4,-0.6 2,-0.3 -0.531 56.5-151.9 -74.7 131.9 55.9 -3.2 -39.3 83 101 A E > - 0 0 118 -2,-0.3 3,-2.8 1,-0.1 -23,-0.1 -0.695 42.2 -71.3 -99.4 155.5 52.2 -3.7 -40.0 84 102 A R T 3 S+ 0 0 148 1,-0.3 38,-0.2 -2,-0.3 -1,-0.1 -0.178 122.5 10.5 -49.6 127.6 49.6 -2.9 -37.3 85 103 A G T 3 S+ 0 0 11 36,-3.3 -1,-0.3 1,-0.3 37,-0.2 0.350 94.3 144.3 85.0 -6.3 49.7 -5.5 -34.6 86 104 A D < - 0 0 3 -3,-2.8 37,-2.7 35,-0.4 2,-0.5 -0.198 49.5-120.2 -64.1 158.0 52.9 -7.0 -35.8 87 105 A V E -cd 61 123A 0 -27,-3.1 -25,-2.8 35,-0.2 2,-0.8 -0.884 15.0-158.9-105.8 126.0 55.5 -8.3 -33.4 88 106 A L E -cd 62 124A 0 35,-2.6 37,-2.7 -2,-0.5 2,-0.7 -0.907 15.0-163.6-102.9 104.0 59.0 -6.9 -33.4 89 107 A F E -cd 63 125A 2 -27,-2.5 -25,-2.0 -2,-0.8 2,-0.7 -0.821 8.7-176.2 -96.2 115.8 61.2 -9.5 -31.8 90 108 A I E > -cd 64 126A 0 35,-2.4 37,-2.3 -2,-0.7 3,-0.7 -0.905 8.8-160.0-114.7 103.6 64.6 -8.3 -30.6 91 109 A D E 3 S+cd 65 127A 48 -27,-2.8 -25,-1.7 -2,-0.7 37,-0.2 -0.539 80.8 16.7 -78.9 147.8 66.8 -11.1 -29.2 92 110 A E T > S+ 0 0 63 35,-0.7 3,-2.1 -27,-0.2 -1,-0.3 0.923 79.4 172.7 54.9 46.6 69.7 -9.9 -27.0 93 111 A I G X + 0 0 1 34,-2.1 3,-1.2 -3,-0.7 35,-0.1 0.751 67.0 66.3 -59.9 -25.6 67.8 -6.6 -26.7 94 112 A H G 3 S+ 0 0 48 33,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.592 88.9 69.5 -73.3 -8.0 70.2 -5.3 -24.1 95 113 A R G < + 0 0 123 -3,-2.1 2,-0.4 -4,-0.1 -1,-0.3 0.207 69.4 124.6 -94.0 15.8 73.0 -5.3 -26.7 96 114 A L < - 0 0 18 -3,-1.2 -26,-0.1 4,-0.1 -30,-0.1 -0.618 60.7-127.4 -77.3 130.5 71.4 -2.4 -28.6 97 115 A N > - 0 0 55 -28,-0.6 4,-2.8 -2,-0.4 5,-0.3 -0.346 28.1 -99.6 -74.8 159.8 73.8 0.5 -29.1 98 116 A K H > S+ 0 0 169 2,-0.2 4,-2.9 3,-0.2 5,-0.3 0.883 118.9 53.7 -43.3 -52.7 72.8 4.1 -28.1 99 117 A A H > S+ 0 0 37 1,-0.2 4,-1.8 2,-0.2 3,-0.3 0.964 116.5 32.4 -49.1 -74.5 71.9 5.0 -31.7 100 118 A V H > S+ 0 0 0 -30,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.815 117.9 58.8 -55.5 -33.1 69.4 2.3 -32.6 101 119 A E H X S+ 0 0 24 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.934 105.1 47.0 -63.5 -48.7 68.3 2.2 -28.9 102 120 A E H X S+ 0 0 101 -4,-2.9 4,-1.7 -3,-0.3 -1,-0.2 0.873 111.9 52.6 -61.7 -37.0 67.2 5.8 -28.9 103 121 A L H X S+ 0 0 10 -4,-1.8 4,-1.7 -5,-0.3 -1,-0.2 0.914 110.7 46.1 -65.1 -44.5 65.4 5.3 -32.2 104 122 A L H X S+ 0 0 0 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.909 109.7 53.9 -65.0 -44.2 63.5 2.3 -30.9 105 123 A Y H < S+ 0 0 61 -4,-2.5 3,-0.3 1,-0.2 -1,-0.2 0.875 108.5 51.2 -57.5 -39.4 62.6 4.1 -27.6 106 124 A S H >X S+ 0 0 49 -4,-1.7 3,-1.3 1,-0.2 4,-0.8 0.887 106.1 53.2 -67.0 -40.8 61.1 6.9 -29.7 107 125 A A H 3X S+ 0 0 0 -4,-1.7 4,-1.0 1,-0.2 -1,-0.2 0.734 106.3 54.5 -68.2 -22.4 59.0 4.7 -31.8 108 126 A I H 3< S+ 0 0 5 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.332 101.0 59.1 -94.5 6.7 57.4 3.1 -28.7 109 127 A E H <4 S- 0 0 103 -3,-1.3 -2,-0.2 3,-0.2 -1,-0.2 0.666 135.6 -11.3-104.5 -22.8 56.3 6.4 -27.2 110 128 A D H < S- 0 0 87 -4,-0.8 -2,-0.2 2,-0.2 -3,-0.1 0.249 92.4-108.3-159.4 8.9 54.0 7.6 -30.0 111 129 A F S < S+ 0 0 60 -4,-1.0 8,-1.6 -5,-0.3 2,-0.3 0.969 82.8 104.2 52.1 65.5 54.7 5.3 -33.0 112 130 A Q B -E 118 0B 80 -6,-0.3 2,-0.3 6,-0.3 6,-0.3 -0.887 46.3-165.9-170.2 137.6 56.6 7.8 -35.1 113 131 A I - 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