==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA BINDING PROTEIN 12-MAY-01 1IN6 . 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 . 300 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15286.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 221 73.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 7.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 2.3 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 . 1 0.3 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 . 1 0.3 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 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 119 39.7 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 2 1 2 1 0 1 1 2 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 3 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 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 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 17 A Q > 0 0 206 0, 0.0 3,-1.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -90.4 61.6 -26.9 -36.5 2 18 A F T 3 + 0 0 124 1,-0.3 165,-0.0 165,-0.0 0, 0.0 0.572 360.0 58.3 -70.0 -9.3 59.1 -29.7 -36.1 3 19 A L T 3 S+ 0 0 15 2,-0.1 -1,-0.3 165,-0.0 161,-0.0 0.423 83.2 101.3-100.1 -0.0 60.1 -29.9 -32.4 4 20 A R S < S- 0 0 107 -3,-1.5 7,-0.1 1,-0.1 6,-0.0 -0.749 81.2-111.1 -91.9 125.5 59.2 -26.3 -31.6 5 21 A P - 0 0 26 0, 0.0 49,-0.1 0, 0.0 3,-0.1 -0.243 22.2-162.7 -52.2 134.4 55.9 -25.6 -29.8 6 22 A K S S+ 0 0 144 1,-0.1 2,-0.3 48,-0.0 51,-0.1 0.542 71.3 11.8 -97.5 -10.3 53.4 -23.8 -32.1 7 23 A S S >> S- 0 0 19 1,-0.1 3,-1.2 50,-0.1 4,-0.6 -0.967 83.2 -97.5-157.5 167.2 51.2 -22.6 -29.2 8 24 A L G >4 S+ 0 0 24 -2,-0.3 3,-0.9 1,-0.3 10,-0.1 0.830 119.7 63.2 -60.9 -32.0 51.0 -22.4 -25.4 9 25 A D G 34 S+ 0 0 162 1,-0.3 -1,-0.3 3,-0.0 0, 0.0 0.792 107.7 43.0 -62.9 -26.6 49.0 -25.6 -25.3 10 26 A E G <4 S+ 0 0 58 -3,-1.2 2,-0.8 2,-0.1 -1,-0.3 0.493 92.7 98.3 -94.7 -7.2 52.1 -27.3 -26.8 11 27 A F << - 0 0 7 -3,-0.9 2,-0.2 -4,-0.6 7,-0.1 -0.750 67.8-149.0 -87.4 107.3 54.5 -25.4 -24.5 12 28 A I - 0 0 35 -2,-0.8 -2,-0.1 144,-0.1 144,-0.0 -0.506 54.5 -6.8 -78.3 143.6 55.3 -27.7 -21.5 13 29 A G S S+ 0 0 3 -2,-0.2 5,-0.1 1,-0.1 139,-0.1 -0.178 79.9 101.2 71.2-166.7 56.1 -26.3 -18.1 14 30 A Q > + 0 0 20 3,-0.1 4,-3.0 137,-0.1 5,-0.2 0.894 44.0 168.9 52.8 44.1 56.5 -22.6 -17.3 15 31 A E H > S+ 0 0 97 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.892 71.1 51.1 -53.1 -45.9 53.0 -22.5 -15.8 16 32 A N H > S+ 0 0 118 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.935 113.4 44.7 -58.8 -48.4 53.4 -19.1 -14.2 17 33 A V H > S+ 0 0 6 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.919 112.5 51.8 -63.2 -45.1 54.6 -17.6 -17.5 18 34 A K H X S+ 0 0 31 -4,-3.0 4,-3.0 1,-0.2 5,-0.2 0.908 110.3 47.5 -59.7 -44.4 51.9 -19.3 -19.5 19 35 A K H X S+ 0 0 149 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.894 114.7 46.7 -65.3 -39.3 49.1 -18.0 -17.3 20 36 A K H X S+ 0 0 106 -4,-2.0 4,-1.8 -5,-0.2 -2,-0.2 0.952 118.0 41.0 -66.8 -49.4 50.4 -14.5 -17.3 21 37 A L H X S+ 0 0 0 -4,-3.0 4,-2.9 1,-0.2 -2,-0.2 0.907 114.0 52.9 -66.1 -41.6 51.0 -14.4 -21.1 22 38 A S H X S+ 0 0 46 -4,-3.0 4,-2.7 -5,-0.3 5,-0.4 0.901 106.1 54.4 -60.9 -42.8 47.8 -16.2 -21.9 23 39 A L H X S+ 0 0 131 -4,-2.0 4,-1.8 -5,-0.2 -1,-0.2 0.961 114.7 39.3 -55.5 -53.6 45.8 -13.7 -19.8 24 40 A A H X S+ 0 0 23 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.884 117.4 49.6 -65.2 -41.5 47.2 -10.7 -21.8 25 41 A L H X S+ 0 0 5 -4,-2.9 4,-2.5 2,-0.2 5,-0.2 0.939 111.5 45.9 -63.9 -51.6 47.1 -12.5 -25.2 26 42 A E H X S+ 0 0 118 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.911 114.2 50.0 -60.2 -42.7 43.5 -13.7 -25.0 27 43 A A H X S+ 0 0 42 -4,-1.8 4,-1.8 -5,-0.4 -1,-0.2 0.929 111.4 47.4 -62.1 -47.2 42.4 -10.3 -23.7 28 44 A A H X>S+ 0 0 8 -4,-2.3 5,-2.4 1,-0.2 4,-1.0 0.889 112.7 49.3 -62.2 -41.1 44.2 -8.4 -26.5 29 45 A K H ><5S+ 0 0 92 -4,-2.5 3,-0.5 1,-0.2 -1,-0.2 0.925 109.9 51.6 -64.3 -44.3 42.8 -10.8 -29.2 30 46 A M H 3<5S+ 0 0 150 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.837 117.0 39.2 -61.8 -33.8 39.3 -10.4 -27.8 31 47 A R H 3<5S- 0 0 186 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.507 105.6-125.8 -93.8 -6.3 39.6 -6.6 -27.9 32 48 A G T <<5 + 0 0 60 -4,-1.0 2,-0.2 -3,-0.5 -3,-0.2 0.868 63.1 144.5 63.4 34.1 41.5 -6.5 -31.2 33 49 A E < - 0 0 110 -5,-2.4 2,-0.4 -6,-0.2 -1,-0.2 -0.681 59.7-100.1-105.9 160.4 44.1 -4.5 -29.5 34 50 A V - 0 0 37 -2,-0.2 89,-0.1 -3,-0.1 3,-0.1 -0.630 47.1-114.9 -76.6 129.5 47.9 -4.4 -29.9 35 51 A L - 0 0 7 -2,-0.4 90,-0.2 52,-0.2 3,-0.1 -0.341 31.9-102.9 -65.9 145.7 49.5 -6.4 -27.0 36 52 A D - 0 0 108 1,-0.1 -1,-0.1 88,-0.1 88,-0.1 -0.336 53.0 -80.2 -66.4 153.6 51.6 -4.5 -24.5 37 53 A H - 0 0 15 105,-0.3 108,-2.0 86,-0.1 107,-0.7 -0.199 49.7-150.7 -54.6 140.7 55.4 -4.9 -24.9 38 54 A V E -ab 126 145A 0 87,-2.6 89,-2.0 106,-0.2 2,-0.5 -0.972 8.5-156.4-125.4 131.4 56.8 -8.2 -23.5 39 55 A L E -ab 127 146A 0 106,-3.1 108,-3.7 -2,-0.4 2,-0.6 -0.903 6.1-161.6-106.4 126.9 60.2 -8.9 -22.0 40 56 A L E +ab 128 147A 0 87,-3.2 89,-2.4 -2,-0.5 2,-0.4 -0.930 17.6 179.0-109.9 110.0 61.4 -12.5 -22.0 41 57 A A E +ab 129 148A 0 106,-2.7 108,-3.2 -2,-0.6 89,-0.2 -0.932 22.9 83.7-121.4 135.8 64.3 -13.1 -19.6 42 58 A G S S- 0 0 1 87,-2.1 108,-0.1 -2,-0.4 3,-0.1 -0.883 73.6 -51.4 159.6 170.2 66.2 -16.2 -18.7 43 59 A P S > S- 0 0 20 0, 0.0 3,-0.8 0, 0.0 5,-0.2 -0.226 72.5 -80.0 -64.6 159.0 69.2 -18.4 -19.6 44 60 A P T 3 S+ 0 0 31 0, 0.0 145,-0.1 0, 0.0 86,-0.0 -0.169 109.7 30.7 -59.5 150.4 69.4 -19.7 -23.2 45 61 A G T 3 S+ 0 0 10 -3,-0.1 144,-1.9 144,-0.1 145,-0.1 0.561 83.9 110.8 78.8 11.7 67.5 -22.7 -24.4 46 62 A L S < S- 0 0 0 -3,-0.8 104,-0.1 142,-0.2 -1,-0.0 0.453 96.0 -90.5 -96.0 -4.6 64.5 -22.1 -22.1 47 63 A G S > S+ 0 0 12 -5,-0.1 4,-2.6 102,-0.1 5,-0.2 0.621 80.7 132.5 109.5 12.5 62.0 -21.1 -24.8 48 64 A R H > S+ 0 0 21 -5,-0.2 4,-2.0 2,-0.2 5,-0.1 0.951 82.8 42.7 -60.3 -50.7 62.2 -17.3 -25.2 49 65 A T H > S+ 0 0 43 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.892 113.2 54.9 -61.0 -40.7 62.4 -17.5 -29.0 50 66 A T H > S+ 0 0 15 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.935 108.7 46.9 -58.9 -47.3 59.6 -20.1 -28.9 51 67 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.861 107.1 57.6 -65.2 -35.7 57.3 -17.9 -26.9 52 68 A A H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.943 109.6 44.3 -60.4 -46.3 58.0 -14.9 -29.2 53 69 A H H X S+ 0 0 67 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.869 111.2 54.1 -65.8 -37.1 56.8 -16.8 -32.2 54 70 A I H X S+ 0 0 2 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.909 105.2 54.4 -63.6 -41.6 53.8 -18.1 -30.3 55 71 A I H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.948 110.7 44.8 -57.7 -49.9 52.8 -14.6 -29.4 56 72 A A H X>S+ 0 0 2 -4,-1.9 5,-2.3 1,-0.2 4,-1.0 0.924 113.7 50.4 -60.6 -45.1 52.8 -13.6 -33.1 57 73 A S H <5S+ 0 0 74 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.889 111.5 47.5 -60.9 -42.1 50.9 -16.7 -34.1 58 74 A E H <5S+ 0 0 55 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.906 114.7 45.4 -67.0 -40.6 48.2 -16.2 -31.5 59 75 A L H <5S- 0 0 28 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.643 108.5-131.2 -75.6 -13.0 47.8 -12.5 -32.4 60 76 A Q T <5 + 0 0 177 -4,-1.0 2,-0.2 1,-0.2 -3,-0.2 0.900 65.4 121.2 61.5 44.3 47.8 -13.6 -36.0 61 77 A T < - 0 0 35 -5,-2.3 2,-0.3 -6,-0.1 -1,-0.2 -0.710 67.7 -86.2-125.9 177.5 50.3 -11.0 -37.0 62 78 A N - 0 0 80 -2,-0.2 27,-3.0 -3,-0.1 2,-0.5 -0.622 32.6-141.6 -88.5 145.5 53.8 -11.1 -38.5 63 79 A I E -c 89 0A 43 -2,-0.3 2,-0.7 25,-0.2 27,-0.2 -0.911 6.0-158.2-109.6 134.4 57.0 -11.5 -36.4 64 80 A H E -c 90 0A 49 25,-3.0 27,-2.3 -2,-0.5 2,-0.4 -0.928 13.9-158.2-112.2 105.6 60.1 -9.5 -37.3 65 81 A V E +c 91 0A 87 -2,-0.7 2,-0.3 25,-0.2 27,-0.2 -0.682 24.8 146.8 -89.2 133.3 63.2 -11.3 -35.9 66 82 A T E -c 92 0A 17 25,-1.9 27,-2.3 -2,-0.4 2,-0.4 -0.950 36.0-124.0-154.1 170.1 66.4 -9.4 -35.3 67 83 A S E > -c 93 0A 20 -2,-0.3 4,-1.1 25,-0.2 3,-0.4 -0.959 19.0-126.5-126.2 142.0 69.4 -9.3 -32.9 68 84 A G T >4 S+ 0 0 0 25,-2.3 3,-0.9 -2,-0.4 31,-0.4 0.913 112.0 44.2 -49.3 -52.0 70.7 -6.5 -30.7 69 85 A P T 34 S+ 0 0 66 0, 0.0 -1,-0.2 0, 0.0 25,-0.1 0.788 104.4 64.9 -66.2 -26.8 74.3 -6.8 -32.1 70 86 A V T 34 S+ 0 0 96 -3,-0.4 2,-0.6 1,-0.1 -2,-0.2 0.772 93.3 70.9 -66.3 -26.3 73.1 -7.1 -35.7 71 87 A L << + 0 0 5 -4,-1.1 28,-0.6 -3,-0.9 31,-0.1 -0.844 52.2 145.4 -97.6 117.3 71.7 -3.6 -35.4 72 88 A V + 0 0 93 -2,-0.6 30,-0.5 1,-0.3 2,-0.2 0.763 58.0 44.6-112.5 -62.6 74.4 -0.9 -35.4 73 89 A K S >> S- 0 0 138 28,-0.1 3,-1.8 1,-0.1 4,-1.0 -0.623 82.4-117.8 -90.4 148.0 73.3 2.2 -37.2 74 90 A Q H 3> S+ 0 0 91 1,-0.3 4,-2.8 -2,-0.2 5,-0.2 0.738 110.4 73.0 -54.3 -22.9 69.9 3.8 -36.8 75 91 A G H 3> S+ 0 0 46 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.886 95.0 49.5 -60.4 -38.9 69.3 3.1 -40.5 76 92 A D H <> S+ 0 0 53 -3,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.896 113.5 45.3 -67.0 -41.5 68.9 -0.7 -39.7 77 93 A M H X S+ 0 0 1 -4,-1.0 4,-2.8 2,-0.2 -2,-0.2 0.877 111.0 53.9 -69.8 -38.8 66.4 -0.0 -36.9 78 94 A A H X S+ 0 0 28 -4,-2.8 4,-2.9 2,-0.2 5,-0.2 0.941 106.8 49.9 -61.3 -50.0 64.5 2.5 -39.0 79 95 A A H < S+ 0 0 60 -4,-2.1 4,-0.5 1,-0.2 -1,-0.2 0.894 114.1 46.5 -57.0 -41.3 64.0 0.1 -41.9 80 96 A I H >< S+ 0 0 36 -4,-1.5 3,-1.0 2,-0.2 4,-0.5 0.942 112.9 48.3 -67.5 -47.1 62.8 -2.6 -39.5 81 97 A L H >< S+ 0 0 0 -4,-2.8 3,-1.2 1,-0.3 40,-0.3 0.905 110.8 50.1 -60.0 -44.4 60.4 -0.2 -37.7 82 98 A T T 3< S+ 0 0 89 -4,-2.9 -1,-0.3 1,-0.2 -2,-0.2 0.580 104.8 59.7 -73.1 -8.2 58.9 1.2 -40.8 83 99 A S T < S+ 0 0 56 -3,-1.0 -1,-0.2 -4,-0.5 2,-0.2 0.552 82.2 108.7 -94.2 -8.2 58.3 -2.4 -42.1 84 100 A L < - 0 0 5 -3,-1.2 37,-0.5 -4,-0.5 2,-0.2 -0.484 57.4-151.3 -72.5 134.7 56.1 -3.2 -39.1 85 101 A E > - 0 0 115 -2,-0.2 3,-2.8 1,-0.1 -23,-0.1 -0.676 42.5 -70.3-101.3 158.7 52.3 -3.6 -39.7 86 102 A R T 3 S+ 0 0 149 1,-0.3 37,-0.2 -2,-0.2 -1,-0.1 -0.224 123.5 10.4 -50.6 126.4 49.7 -2.9 -37.1 87 103 A G T 3 S+ 0 0 9 35,-2.6 -1,-0.3 1,-0.3 -52,-0.2 0.305 93.6 144.5 86.9 -9.8 49.9 -5.6 -34.4 88 104 A D < - 0 0 3 -3,-2.8 36,-2.5 34,-0.4 2,-0.5 -0.188 49.3-121.8 -61.1 154.6 53.1 -7.0 -35.7 89 105 A V E -cd 63 124A 0 -27,-3.0 -25,-3.0 34,-0.2 2,-0.8 -0.874 14.5-158.0-104.0 128.4 55.7 -8.4 -33.3 90 106 A L E -cd 64 125A 1 34,-2.8 36,-3.0 -2,-0.5 2,-0.6 -0.923 16.2-166.3-104.7 104.6 59.2 -6.9 -33.2 91 107 A F E -cd 65 126A 3 -27,-2.3 -25,-1.9 -2,-0.8 2,-0.6 -0.857 8.3-176.9 -99.6 121.0 61.3 -9.6 -31.6 92 108 A I E > -cd 66 127A 0 34,-2.3 36,-2.5 -2,-0.6 3,-0.9 -0.923 10.5-156.8-120.7 105.9 64.8 -8.6 -30.5 93 109 A D E 3 S+c 67 0A 40 -27,-2.3 -25,-2.3 -2,-0.6 4,-0.1 -0.484 83.4 16.4 -77.3 151.7 67.0 -11.3 -29.1 94 110 A E T > S+ 0 0 56 34,-0.4 3,-3.4 -27,-0.2 -1,-0.3 0.877 80.3 172.4 51.9 37.9 69.8 -10.2 -26.8 95 111 A I G X + 0 0 1 33,-2.3 3,-1.0 -3,-0.9 34,-0.2 0.760 68.4 66.9 -48.5 -29.1 67.9 -7.0 -26.6 96 112 A H G 3 S+ 0 0 33 32,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.542 87.7 70.0 -72.6 -5.2 70.3 -5.8 -23.9 97 113 A R G < + 0 0 70 -3,-3.4 2,-0.5 -4,-0.1 -1,-0.3 0.016 69.1 126.6 -99.7 26.8 73.0 -5.7 -26.6 98 114 A L < - 0 0 10 -3,-1.0 -26,-0.1 1,-0.1 -30,-0.1 -0.739 59.2-127.2 -87.4 127.5 71.5 -2.7 -28.4 99 115 A N > - 0 0 40 -28,-0.6 4,-2.3 -2,-0.5 5,-0.2 -0.184 28.9-100.8 -66.8 166.1 74.0 0.1 -28.9 100 116 A K H > S+ 0 0 142 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.819 118.0 58.2 -58.5 -32.7 73.0 3.6 -27.8 101 117 A A H > S+ 0 0 18 2,-0.2 4,-1.6 -29,-0.2 3,-0.3 0.996 113.8 31.3 -61.4 -70.0 72.2 4.6 -31.4 102 118 A V H > S+ 0 0 0 -30,-0.5 4,-2.1 1,-0.2 -2,-0.2 0.849 116.8 59.5 -59.1 -36.9 69.5 2.1 -32.2 103 119 A E H X S+ 0 0 38 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.910 104.2 49.4 -60.2 -44.2 68.3 1.9 -28.6 104 120 A E H X S+ 0 0 126 -4,-1.8 4,-1.8 -3,-0.3 -1,-0.2 0.903 111.0 50.3 -62.0 -40.8 67.4 5.6 -28.5 105 121 A L H X S+ 0 0 16 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.854 112.8 47.9 -65.1 -35.2 65.5 5.2 -31.8 106 122 A L H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.960 108.4 50.4 -70.4 -53.8 63.6 2.3 -30.3 107 123 A Y H < S+ 0 0 61 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.885 113.9 49.7 -51.0 -40.3 62.7 3.9 -26.9 108 124 A S H >X S+ 0 0 37 -4,-1.8 3,-2.3 -5,-0.2 4,-1.0 0.953 106.0 53.4 -63.5 -53.6 61.4 6.8 -29.1 109 125 A A H 3X S+ 0 0 0 -4,-2.2 4,-1.4 1,-0.3 -1,-0.2 0.801 108.9 50.6 -54.1 -33.2 59.4 4.7 -31.4 110 126 A I H 3< S+ 0 0 3 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.356 99.6 66.5 -89.8 6.8 57.5 3.1 -28.5 111 127 A E H <4 S- 0 0 116 -3,-2.3 -2,-0.2 3,-0.2 -1,-0.2 0.841 133.5 -15.5 -91.1 -39.5 56.7 6.4 -26.9 112 128 A D H < S- 0 0 96 -4,-1.0 -2,-0.2 2,-0.3 8,-0.1 0.148 92.0-105.7-151.6 18.1 54.3 7.6 -29.6 113 129 A F S < S+ 0 0 58 -4,-1.4 7,-2.6 -5,-0.3 2,-0.3 0.925 87.1 99.1 50.4 55.2 55.0 5.4 -32.6 114 130 A Q - 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0 0 34 -5,-1.7 -1,-0.2 1,-0.1 3,-0.1 -0.766 44.5-133.1-109.1 158.4 67.4 -51.5 -30.2 208 236 A D S S- 0 0 114 -2,-0.3 -37,-0.4 1,-0.2 2,-0.3 0.721 87.4 -0.1 -81.1 -22.7 63.6 -51.5 -30.2 209 237 A R S S- 0 0 97 -39,-0.1 2,-0.5 -7,-0.1 -37,-0.2 -0.987 83.5 -88.7-161.8 158.2 63.4 -48.6 -27.8 210 238 A I B +e 172 0B 0 -39,-2.7 -37,-2.6 -2,-0.3 -34,-0.3 -0.609 50.9 172.1 -75.9 122.3 65.6 -46.3 -25.7 211 239 A N > - 0 0 40 -2,-0.5 4,-2.0 -39,-0.2 5,-0.1 -0.670 49.3 -91.0-121.1 178.3 66.4 -47.7 -22.3 212 240 A T H > S+ 0 0 56 1,-0.2 4,-2.8 -2,-0.2 5,-0.2 0.866 123.8 56.0 -58.9 -39.7 68.7 -46.8 -19.4 213 241 A D H > S+ 0 0 86 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.917 108.7 47.5 -59.9 -43.8 71.6 -48.8 -20.9 214 242 A I H > S+ 0 0 4 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.872 112.0 50.2 -65.7 -37.8 71.4 -46.9 -24.1 215 243 A V H X S+ 0 0 0 -4,-2.0 4,-2.9 2,-0.2 5,-0.2 0.944 110.2 48.9 -67.1 -46.8 71.3 -43.6 -22.3 216 244 A L H X S+ 0 0 65 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.920 110.0 52.1 -58.7 -44.4 74.3 -44.4 -20.2 217 245 A K H X S+ 0 0 84 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.918 111.9 47.4 -57.6 -43.3 76.2 -45.5 -23.3 218 246 A T H X S+ 0 0 5 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.935 108.4 52.7 -65.0 -47.7 75.4 -42.2 -25.0 219 247 A M H X>S+ 0 0 5 -4,-2.9 5,-2.3 1,-0.2 4,-0.8 0.865 107.6 53.6 -57.4 -36.6 76.3 -40.1 -22.0 220 248 A E H ><5S+ 0 0 146 -4,-2.1 3,-0.7 -5,-0.2 -1,-0.2 0.943 110.5 45.8 -63.5 -45.6 79.7 -41.8 -21.9 221 249 A V H 3<5S+ 0 0 109 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.886 117.1 44.9 -63.3 -38.4 80.3 -41.0 -25.5 222 250 A L H 3<5S- 0 0 49 -4,-2.6 9,-0.3 -5,-0.1 -1,-0.2 0.481 107.7-125.6 -84.8 -4.4 79.1 -37.4 -25.0 223 251 A N T <<5 + 0 0 83 -4,-0.8 2,-0.6 -3,-0.7 -3,-0.2 0.872 56.9 150.1 61.5 39.2 81.1 -37.0 -21.7 224 252 A I < - 0 0 19 -5,-2.3 -1,-0.2 -6,-0.1 6,-0.2 -0.914 34.0-146.1-105.9 120.7 78.1 -35.9 -19.7 225 253 A D > - 0 0 30 4,-2.0 3,-2.5 -2,-0.6 6,-0.0 -0.108 33.7 -86.9 -81.7 178.9 78.2 -36.9 -16.1 226 254 A D T 3 S+ 0 0 95 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.638 129.2 51.7 -60.5 -14.9 75.5 -38.0 -13.6 227 255 A E T 3 S- 0 0 52 2,-0.1 -1,-0.3 -44,-0.1 -42,-0.1 0.293 119.1-110.0-101.8 5.0 74.8 -34.3 -12.8 228 256 A G < + 0 0 0 -3,-2.5 2,-0.1 1,-0.3 -2,-0.1 0.468 68.0 150.1 80.8 1.9 74.5 -33.4 -16.5 229 257 A L - 0 0 0 -5,-0.1 -4,-2.0 1,-0.1 -1,-0.3 -0.444 31.0-153.4 -70.6 137.7 77.7 -31.5 -16.4 230 258 A D > - 0 0 28 -6,-0.2 4,-2.3 -2,-0.1 5,-0.2 -0.356 36.3 -83.1 -99.5-174.5 79.7 -31.4 -19.7 231 259 A E H > S+ 0 0 122 -9,-0.3 4,-2.2 1,-0.2 5,-0.1 0.927 128.5 45.6 -55.4 -49.6 83.4 -30.9 -20.4 232 260 A F H > S+ 0 0 40 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.902 108.4 55.7 -64.8 -41.3 83.3 -27.1 -20.2 233 261 A D H > S+ 0 0 2 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.951 111.7 45.3 -54.2 -48.4 81.2 -27.1 -17.0 234 262 A R H X S+ 0 0 35 -4,-2.3 4,-3.2 1,-0.2 5,-0.2 0.882 109.1 55.6 -63.3 -36.9 83.8 -29.3 -15.4 235 263 A K H X S+ 0 0 105 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.875 106.1 51.8 -64.2 -35.7 86.6 -27.1 -16.8 236 264 A I H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.960 114.7 41.6 -64.8 -49.2 85.1 -24.0 -15.1 237 265 A L H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.916 115.1 50.5 -64.4 -43.4 84.9 -25.8 -11.7 238 266 A K H X S+ 0 0 82 -4,-3.2 4,-3.4 1,-0.2 5,-0.4 0.862 108.5 52.4 -63.7 -36.9 88.3 -27.3 -12.1 239 267 A T H X>S+ 0 0 11 -4,-2.2 4,-1.5 -5,-0.2 5,-1.2 0.915 111.0 46.5 -66.1 -42.6 89.9 -24.0 -13.0 240 268 A I H X5S+ 0 0 0 -4,-1.9 6,-2.7 3,-0.2 4,-0.7 0.945 117.9 44.6 -63.8 -45.2 88.5 -22.4 -9.9 241 269 A I H <5S+ 0 0 13 -4,-2.6 4,-0.5 4,-0.3 -2,-0.2 0.939 124.3 29.2 -63.6 -53.0 89.6 -25.3 -7.8 242 270 A E H <5S+ 0 0 128 -4,-3.4 -3,-0.2 -5,-0.2 3,-0.2 0.946 130.2 30.9 -78.8 -50.5 93.1 -25.8 -9.1 243 271 A I H <5S+ 0 0 105 -4,-1.5 -3,-0.2 -5,-0.4 -2,-0.1 0.841 132.5 31.1 -79.2 -33.2 94.2 -22.4 -10.3 244 272 A Y S >< - 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0 0 146 -2,-0.3 4,-1.7 1,-0.1 3,-0.2 -0.528 32.1-126.3 -75.1 142.4 84.2 -13.9 -22.9 262 290 A A H > S+ 0 0 15 1,-0.2 4,-3.0 -2,-0.2 5,-0.3 0.840 110.0 59.0 -55.3 -33.8 82.9 -13.0 -19.4 263 291 A D H >>S+ 0 0 70 2,-0.2 4,-3.4 1,-0.2 5,-0.6 0.938 101.0 49.4 -61.5 -54.0 79.4 -12.9 -21.0 264 292 A T H >>S+ 0 0 60 3,-0.2 4,-1.8 2,-0.2 5,-1.4 0.904 115.5 48.1 -55.1 -38.6 79.3 -16.5 -22.2 265 293 A L H X>S+ 0 0 0 -4,-1.7 5,-3.0 3,-0.2 4,-0.7 0.988 119.5 33.5 -66.3 -60.0 80.4 -17.5 -18.8 266 294 A S H <5S+ 0 0 26 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.827 128.5 37.8 -67.2 -33.0 78.0 -15.5 -16.7 267 295 A E H <5S+ 0 0 14 -4,-3.4 -3,-0.2 -5,-0.3 -1,-0.2 0.806 128.6 24.2 -89.7 -32.6 75.1 -15.7 -19.2 268 296 A V H < S+ 0 0 29 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.883 106.2 36.4 -44.0 -52.8 73.3 -19.9 -14.3 272 300 A Y H > S+ 0 0 41 -3,-0.4 4,-2.9 -4,-0.3 6,-0.2 0.840 113.8 57.0 -73.6 -31.3 72.8 -23.7 -13.9 273 301 A L H <>S+ 0 0 0 -4,-1.2 5,-2.7 2,-0.2 6,-1.7 0.846 112.0 43.6 -66.2 -32.9 76.1 -24.1 -11.9 274 302 A L H ><5S+ 0 0 48 -4,-2.5 3,-1.3 4,-0.2 -2,-0.2 0.922 114.6 49.3 -74.9 -45.8 74.7 -21.6 -9.4 275 303 A Q H 3<5S+ 0 0 107 -4,-2.3 -2,-0.2 -5,-0.3 -3,-0.2 0.889 111.0 48.5 -59.5 -45.8 71.2 -23.2 -9.4 276 304 A A T 3<5S- 0 0 14 -4,-2.9 -1,-0.3 -5,-0.1 -2,-0.2 0.376 117.3-112.1 -79.6 4.5 72.5 -26.7 -8.9 277 305 A G T < 5S+ 0 0 30 -3,-1.3 14,-0.3 2,-0.2 15,-0.3 0.759 85.7 114.4 72.9 28.0 74.7 -25.5 -6.0 278 306 A F S -G 285 0C 47 3,-1.5 3,-0.6 -2,-0.4 -2,-0.0 -0.829 48.1-102.2-130.2 168.5 80.5 -13.3 -3.4 283 311 A P T 3 S+ 0 0 146 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 0.871 124.1 49.3 -62.0 -34.1 81.6 -9.7 -3.6 284 312 A R T 3 S- 0 0 197 1,-0.3 2,-0.3 -34,-0.1 -34,-0.1 0.670 126.0 -85.2 -77.5 -18.7 85.2 -10.8 -3.9 285 313 A G E < - G 0 282C 5 -3,-0.6 -3,-1.5 -35,-0.1 -1,-0.3 -0.903 61.5 -29.9 144.7-173.6 84.3 -13.2 -6.7 286 314 A R E -FG 249 281C 37 -37,-3.1 -37,-2.0 -2,-0.3 2,-0.3 -0.502 51.0-175.1 -78.8 147.7 83.1 -16.7 -7.7 287 315 A I E - G 0 280C 50 -7,-2.3 -7,-2.2 -39,-0.2 2,-0.2 -0.958 22.3-121.9-139.5 156.0 83.8 -19.7 -5.4 288 316 A V E - G 0 279C 12 -42,-1.8 -9,-0.2 -2,-0.3 2,-0.2 -0.655 28.6-131.3 -95.5 155.9 83.1 -23.4 -5.7 289 317 A T >> - 0 0 35 -11,-1.8 4,-1.6 -2,-0.2 3,-0.5 -0.528 27.1-101.0-102.6 171.8 81.1 -25.3 -3.1 290 318 A E H 3> S+ 0 0 118 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.874 123.0 60.7 -59.3 -36.7 81.7 -28.5 -1.2 291 319 A K H 3> S+ 0 0 90 -14,-0.3 4,-2.8 1,-0.2 -1,-0.2 0.894 101.6 53.3 -57.8 -39.1 79.3 -30.2 -3.6 292 320 A A H <> S+ 0 0 0 -3,-0.5 4,-2.2 -15,-0.3 -1,-0.2 0.941 109.7 46.3 -62.3 -50.3 81.7 -29.2 -6.5 293 321 A Y H <>S+ 0 0 23 -4,-1.6 5,-3.3 1,-0.2 4,-0.2 0.942 115.9 45.1 -58.8 -49.0 84.7 -30.8 -4.8 294 322 A K H ><5S+ 0 0 133 -4,-2.5 3,-1.1 3,-0.2 -2,-0.2 0.913 112.4 50.9 -63.3 -42.8 82.9 -34.0 -3.9 295 323 A H H 3<5S+ 0 0 32 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.888 115.7 41.3 -61.6 -40.8 81.3 -34.4 -7.3 296 324 A L T 3<5S- 0 0 24 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.325 115.9-116.5 -89.9 6.2 84.6 -33.9 -9.1 297 325 A K T < 5 + 0 0 183 -3,-1.1 2,-0.5 -4,-0.2 -3,-0.2 0.857 61.8 150.3 60.7 41.8 86.3 -36.1 -6.5 298 326 A Y < - 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