==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER RECOMBINATION 16-SEP-05 2B21 . COMPND 2 MOLECULE: DNA REPAIR AND RECOMBINATION PROTEIN RADA; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCOCCUS VOLTAE; . AUTHOR X.QIAN,Y.HE,Y.WU,Y.LUO . 299 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14223.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 224 74.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 11.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 27 9.0 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 . 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 . 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 . 27 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 29.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.0 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 0 2 5 0 0 3 0 1 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 2 0 2 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 2 1 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 0 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 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 5 A L > 0 0 43 0, 0.0 3,-1.0 0, 0.0 6,-0.0 0.000 360.0 360.0 360.0 -18.7 22.4 38.5 30.2 2 6 A T T 3 + 0 0 84 1,-0.2 5,-0.2 4,-0.1 4,-0.1 0.564 360.0 73.0 -75.9 -5.2 22.1 37.0 33.7 3 7 A D T 3 S+ 0 0 120 2,-0.1 -1,-0.2 3,-0.1 3,-0.1 0.828 82.0 91.5 -71.6 -32.0 25.1 34.7 32.8 4 8 A L S X S- 0 0 3 -3,-1.0 3,-1.2 1,-0.1 44,-0.1 -0.436 91.5-104.0 -68.9 131.6 27.2 37.9 33.2 5 9 A P T 3 S+ 0 0 56 0, 0.0 46,-0.2 0, 0.0 47,-0.1 -0.242 104.8 17.7 -55.8 135.4 28.7 38.7 36.6 6 10 A G T 3 S+ 0 0 35 1,-0.2 2,-0.5 -4,-0.1 42,-0.2 0.747 96.0 121.8 73.7 24.4 26.9 41.4 38.5 7 11 A V < + 0 0 14 -3,-1.2 -1,-0.2 -5,-0.2 -3,-0.0 -0.894 35.4 177.0-126.4 103.1 23.8 41.1 36.3 8 12 A G > - 0 0 26 -2,-0.5 4,-1.8 -3,-0.1 5,-0.1 -0.222 48.9 -90.8 -89.0-176.3 20.5 40.3 38.1 9 13 A P H > S+ 0 0 96 0, 0.0 4,-1.3 0, 0.0 5,-0.1 0.795 126.3 50.4 -67.8 -29.4 17.0 40.1 36.4 10 14 A S H > S+ 0 0 66 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.885 111.6 46.8 -74.9 -41.0 16.3 43.8 37.0 11 15 A T H > S+ 0 0 20 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.844 108.7 57.0 -68.3 -34.4 19.6 44.9 35.5 12 16 A A H X S+ 0 0 19 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.889 104.2 52.9 -63.7 -39.6 18.9 42.5 32.6 13 17 A E H X S+ 0 0 136 -4,-1.3 4,-1.4 2,-0.2 -2,-0.2 0.923 110.8 45.7 -61.2 -47.4 15.6 44.3 31.9 14 18 A K H X S+ 0 0 76 -4,-1.7 4,-1.9 1,-0.2 3,-0.3 0.951 112.3 51.9 -61.5 -49.9 17.3 47.7 31.8 15 19 A L H <>S+ 0 0 0 -4,-2.6 5,-2.7 1,-0.2 -2,-0.2 0.871 108.7 48.6 -55.8 -44.5 20.1 46.4 29.6 16 20 A V H ><5S+ 0 0 74 -4,-2.3 3,-0.7 1,-0.2 -1,-0.2 0.830 113.2 49.2 -67.4 -29.9 17.8 44.9 27.0 17 21 A E H 3<5S+ 0 0 178 -4,-1.4 -2,-0.2 -3,-0.3 -1,-0.2 0.783 105.8 55.5 -78.2 -29.3 15.8 48.1 26.9 18 22 A A T 3<5S- 0 0 41 -4,-1.9 -1,-0.2 2,-0.1 -2,-0.2 0.303 126.3-101.8 -84.8 8.4 18.9 50.2 26.5 19 23 A G T < 5S+ 0 0 18 -3,-0.7 2,-1.1 -5,-0.2 3,-0.3 0.477 84.8 127.7 87.0 2.0 19.7 48.1 23.4 20 24 A Y < + 0 0 25 -5,-2.7 -1,-0.2 -6,-0.2 -2,-0.1 -0.734 19.8 136.2 -95.9 91.0 22.4 45.9 25.0 21 25 A I + 0 0 66 -2,-1.1 -1,-0.2 -5,-0.1 2,-0.2 0.856 53.5 53.9-101.3 -48.3 21.2 42.4 24.2 22 26 A D S > S- 0 0 57 -3,-0.3 4,-1.0 1,-0.1 3,-0.3 -0.529 80.8-119.2 -91.1 160.0 24.2 40.4 23.2 23 27 A F H > S+ 0 0 50 1,-0.2 4,-3.6 2,-0.2 3,-0.3 0.852 106.3 61.9 -63.9 -39.9 27.5 39.9 25.1 24 28 A M H > S+ 0 0 58 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.869 101.6 52.1 -57.0 -40.0 29.8 41.4 22.4 25 29 A K H 4 S+ 0 0 33 -3,-0.3 -1,-0.2 2,-0.2 -2,-0.2 0.871 116.9 39.9 -65.5 -34.6 28.1 44.8 22.6 26 30 A I H >< S+ 0 0 0 -4,-1.0 3,-1.0 -3,-0.3 -2,-0.2 0.871 114.0 53.5 -78.7 -39.9 28.6 44.7 26.4 27 31 A A H 3< S+ 0 0 3 -4,-3.6 -2,-0.2 1,-0.3 -3,-0.2 0.825 116.5 39.0 -63.5 -33.8 32.0 43.2 26.1 28 32 A T T 3< S+ 0 0 43 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.273 98.5 106.2-101.0 9.1 33.1 46.0 23.8 29 33 A A < - 0 0 5 -3,-1.0 2,-0.3 -5,-0.1 -3,-0.1 -0.296 67.0-122.5 -83.7 170.7 31.2 48.8 25.6 30 34 A T > - 0 0 73 1,-0.1 4,-1.6 -2,-0.1 5,-0.2 -0.728 25.0-114.2-108.0 160.9 32.6 51.5 27.8 31 35 A V H > S+ 0 0 54 -2,-0.3 4,-3.2 1,-0.2 5,-0.2 0.796 117.2 59.4 -65.8 -25.1 31.6 52.1 31.4 32 36 A G H > S+ 0 0 30 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.971 100.8 50.7 -65.5 -54.6 30.1 55.4 30.3 33 37 A E H 4 S+ 0 0 61 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.892 119.5 39.5 -48.4 -44.8 27.7 53.8 27.8 34 38 A L H >< S+ 0 0 0 -4,-1.6 3,-2.0 1,-0.2 4,-0.2 0.876 109.8 55.2 -76.2 -43.0 26.6 51.5 30.6 35 39 A T H >< S+ 0 0 43 -4,-3.2 3,-1.5 1,-0.3 5,-0.4 0.858 99.7 63.6 -61.2 -32.6 26.5 53.9 33.6 36 40 A D T 3< S+ 0 0 135 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.463 80.9 85.8 -70.3 1.5 24.2 56.2 31.6 37 41 A I T < S- 0 0 31 -3,-2.0 -1,-0.3 3,-0.2 -2,-0.2 0.783 97.1-127.5 -72.8 -26.0 21.7 53.3 31.7 38 42 A E S < S+ 0 0 161 -3,-1.5 3,-0.1 2,-0.4 -2,-0.1 0.669 90.6 42.1 80.1 119.8 20.5 54.5 35.1 39 43 A G S S+ 0 0 49 1,-0.2 2,-0.5 -4,-0.2 -3,-0.1 0.451 94.3 107.1 91.0 1.4 20.3 52.1 38.0 40 44 A I - 0 0 10 -5,-0.4 -2,-0.4 -6,-0.1 -1,-0.2 -0.956 57.0-158.8-117.5 112.8 23.7 50.8 36.7 41 45 A S > - 0 0 53 -2,-0.5 4,-2.0 1,-0.1 5,-0.1 -0.394 29.5-117.3 -81.3 166.7 26.7 51.7 38.8 42 46 A E H > S+ 0 0 117 2,-0.2 4,-2.8 3,-0.2 5,-0.2 0.696 115.4 62.0 -78.2 -17.1 30.2 51.7 37.3 43 47 A K H > S+ 0 0 133 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.962 113.7 32.6 -68.7 -52.0 31.1 49.0 39.7 44 48 A A H > S+ 0 0 17 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.813 119.1 56.3 -72.6 -31.9 28.4 46.7 38.3 45 49 A A H X S+ 0 0 0 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.937 111.1 41.4 -65.9 -47.7 29.0 48.2 34.8 46 50 A A H X S+ 0 0 43 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.793 112.6 56.5 -71.1 -28.1 32.7 47.4 34.8 47 51 A K H X S+ 0 0 92 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.912 109.0 44.3 -70.1 -42.4 32.0 44.0 36.3 48 52 A M H X S+ 0 0 0 -4,-2.1 4,-3.2 2,-0.2 -2,-0.2 0.809 112.3 53.7 -72.1 -28.7 29.7 42.9 33.6 49 53 A I H X S+ 0 0 4 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.914 110.2 46.0 -69.9 -43.5 32.0 44.3 30.9 50 54 A M H X S+ 0 0 115 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.916 115.3 49.1 -63.8 -41.4 34.9 42.3 32.3 51 55 A G H X S+ 0 0 3 -4,-2.2 4,-2.7 1,-0.2 3,-0.4 0.956 108.3 51.3 -61.9 -52.8 32.5 39.3 32.4 52 56 A A H X S+ 0 0 0 -4,-3.2 4,-1.4 1,-0.3 -1,-0.2 0.852 107.5 54.3 -53.5 -39.1 31.3 39.8 28.9 53 57 A R H <>S+ 0 0 119 -4,-1.9 5,-1.9 2,-0.2 -1,-0.3 0.896 110.8 46.1 -64.5 -39.4 34.9 39.9 27.6 54 58 A D H ><5S+ 0 0 112 -4,-1.6 3,-1.7 -3,-0.4 -2,-0.2 0.932 108.5 53.1 -69.2 -47.3 35.6 36.6 29.3 55 59 A L H 3<5S+ 0 0 80 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.804 117.8 40.3 -58.6 -26.6 32.5 34.8 28.1 56 60 A C T 3<5S- 0 0 42 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.386 110.8-126.5-101.2 2.8 33.6 35.9 24.6 57 61 A D T < 5 + 0 0 110 -3,-1.7 2,-0.6 1,-0.2 -3,-0.2 0.964 42.5 169.2 47.7 68.4 37.3 35.2 25.3 58 62 A L < + 0 0 77 -5,-1.9 -1,-0.2 -31,-0.0 2,-0.1 -0.556 35.5 103.3-106.8 62.1 38.6 38.6 24.3 59 63 A G S S- 0 0 53 -2,-0.6 2,-0.2 1,-0.2 -5,-0.0 -0.266 80.3 -42.1-120.2-151.9 42.2 38.3 25.5 60 64 A F - 0 0 217 -2,-0.1 2,-0.3 2,-0.0 -1,-0.2 -0.561 56.0-170.9 -79.3 144.4 45.6 37.7 24.0 61 65 A K + 0 0 78 -2,-0.2 2,-0.2 -3,-0.1 -3,-0.0 -0.996 9.4 164.5-136.8 143.0 45.7 35.0 21.2 62 66 A S > + 0 0 88 -2,-0.3 3,-1.4 4,-0.0 4,-0.3 -0.791 40.8 22.8-143.4-173.4 48.7 33.5 19.5 63 67 A G T > S- 0 0 57 1,-0.3 3,-1.5 -2,-0.2 4,-0.4 -0.161 125.5 -6.0 52.0-140.0 49.9 30.7 17.3 64 68 A I T >> S+ 0 0 108 1,-0.3 3,-2.0 2,-0.2 4,-1.2 0.794 123.7 73.9 -54.9 -34.4 47.2 29.0 15.2 65 69 A D H <> S+ 0 0 60 -3,-1.4 4,-1.5 1,-0.3 -1,-0.3 0.795 87.4 63.1 -52.3 -31.4 44.4 31.1 16.8 66 70 A L H <> S+ 0 0 103 -3,-1.5 4,-1.1 -4,-0.3 -1,-0.3 0.831 102.9 49.9 -63.0 -31.8 45.6 34.1 14.9 67 71 A L H <> S+ 0 0 120 -3,-2.0 4,-0.8 -4,-0.4 -1,-0.2 0.816 105.8 56.9 -75.2 -32.3 44.6 32.2 11.7 68 72 A K H < S+ 0 0 111 -4,-1.2 4,-0.4 2,-0.2 -2,-0.2 0.807 101.6 53.1 -72.6 -30.9 41.2 31.3 13.1 69 73 A Q H >< S+ 0 0 94 -4,-1.5 3,-1.4 1,-0.2 4,-0.2 0.941 109.9 50.4 -67.1 -43.0 40.1 34.9 13.7 70 74 A R H >< S+ 0 0 108 -4,-1.1 3,-0.8 1,-0.3 -1,-0.2 0.694 101.6 63.4 -65.9 -21.5 41.0 35.7 10.1 71 75 A S T 3< S+ 0 0 38 -4,-0.8 56,-0.5 1,-0.2 -1,-0.3 0.561 84.8 73.0 -81.8 -9.5 39.0 32.7 8.9 72 76 A T T < S+ 0 0 36 -3,-1.4 2,-0.5 -4,-0.4 -1,-0.2 0.636 77.6 99.0 -77.3 -12.3 35.7 34.1 10.1 73 77 A V < - 0 0 15 -3,-0.8 2,-0.2 -4,-0.2 54,-0.2 -0.642 55.8-172.4 -80.0 119.7 36.0 36.6 7.2 74 78 A W - 0 0 0 -2,-0.5 19,-2.3 52,-0.1 2,-0.3 -0.671 11.6-137.1-105.4 165.5 33.8 35.6 4.2 75 79 A K E -AB 92 125A 47 50,-3.1 50,-3.2 -2,-0.2 2,-0.5 -0.949 0.4-139.7-130.0 148.7 33.8 37.3 0.8 76 80 A L E -AB 91 124A 0 15,-2.3 15,-3.1 -2,-0.3 48,-0.2 -0.884 23.4-125.5-107.6 131.2 31.3 38.4 -1.7 77 81 A S - 0 0 8 46,-2.1 13,-0.1 -2,-0.5 40,-0.1 -0.418 7.0-155.2 -71.6 148.7 31.8 38.0 -5.5 78 82 A T - 0 0 3 2,-0.4 220,-0.2 -2,-0.1 -1,-0.1 0.422 40.0-117.1-102.1 -2.7 31.5 41.1 -7.7 79 83 A S S S+ 0 0 33 1,-0.2 2,-0.5 44,-0.1 221,-0.4 0.328 89.9 104.6 79.6 -6.4 30.6 39.0 -10.8 80 84 A S > - 0 0 0 1,-0.2 4,-2.3 219,-0.2 -2,-0.4 -0.933 62.2-155.5-106.2 125.4 33.8 40.4 -12.3 81 85 A S H > S+ 0 0 79 -2,-0.5 4,-1.8 1,-0.2 -1,-0.2 0.942 94.3 47.2 -63.7 -50.2 36.6 37.8 -12.3 82 86 A E H > S+ 0 0 94 208,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.803 112.8 50.3 -63.1 -31.4 39.4 40.4 -12.4 83 87 A L H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.950 109.8 48.3 -73.3 -48.8 37.9 42.4 -9.6 84 88 A D H <>S+ 0 0 20 -4,-2.3 5,-3.5 2,-0.2 -2,-0.2 0.841 113.5 50.8 -58.4 -33.7 37.4 39.4 -7.3 85 89 A S H ><5S+ 0 0 87 -4,-1.8 3,-2.8 3,-0.2 -2,-0.2 0.974 108.4 47.9 -67.8 -57.5 41.0 38.5 -8.0 86 90 A V H 3<5S+ 0 0 20 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.761 110.1 57.7 -54.2 -24.9 42.4 41.9 -7.2 87 91 A L T 3<5S- 0 0 2 -4,-1.7 3,-0.4 -5,-0.1 -1,-0.3 0.508 117.6-114.4 -83.5 -8.3 40.3 41.7 -4.1 88 92 A G T < 5S- 0 0 33 -3,-2.8 -3,-0.2 1,-0.2 -2,-0.1 0.805 91.8 -21.1 76.9 27.8 42.0 38.5 -3.0 89 93 A G S -A 75 0A 2 -2,-0.3 3,-0.7 -17,-0.2 156,-0.5 -0.552 7.1-137.0 -84.3 137.5 35.5 41.2 2.6 93 97 A S B 3 S+C 247 0B 0 -19,-2.3 154,-0.3 -2,-0.3 149,-0.1 -0.430 90.9 38.9 -78.3 161.4 33.2 41.0 5.6 94 98 A Q T 3 S+ 0 0 26 152,-2.4 2,-0.3 147,-0.5 -1,-0.2 0.687 108.9 81.4 69.5 18.2 34.4 42.8 8.7 95 99 A S E < S-d 247 0B 18 -3,-0.7 153,-1.7 151,-0.5 2,-0.6 -0.984 77.0-121.3-150.7 158.4 35.9 45.6 6.5 96 100 A V E -d 248 0B 0 -2,-0.3 166,-1.9 151,-0.1 165,-0.8 -0.911 26.8-166.1-104.6 116.3 34.8 48.8 4.7 97 101 A T E -de 249 262B 0 151,-2.7 153,-2.0 -2,-0.6 2,-0.4 -0.901 6.5-156.6-105.4 129.1 35.5 48.7 1.0 98 102 A E E -de 250 263B 1 164,-3.3 166,-2.3 -2,-0.5 2,-0.6 -0.883 11.8-163.0-110.9 138.1 35.3 51.9 -0.9 99 103 A F E -de 251 264B 0 151,-2.4 153,-1.8 -2,-0.4 2,-0.3 -0.934 15.9-177.9-116.1 102.5 34.7 52.5 -4.6 100 104 A A E +de 252 265B 1 164,-3.3 166,-3.1 -2,-0.6 2,-0.3 -0.725 16.7 150.5 -95.4 151.4 35.7 56.0 -5.5 101 105 A G E -de 253 266B 0 151,-2.0 153,-1.6 -2,-0.3 166,-0.2 -0.968 44.7 -88.5-176.3 159.8 35.2 57.0 -9.1 102 106 A V S > S- 0 0 40 164,-1.4 3,-2.3 -2,-0.3 5,-0.3 -0.254 71.5 -63.4 -71.1 161.9 34.5 59.7 -11.6 103 107 A F T 3 S+ 0 0 153 1,-0.3 -1,-0.2 2,-0.1 150,-0.0 -0.195 124.5 6.5 -47.1 129.8 30.9 60.7 -12.5 104 108 A G T 3 S+ 0 0 48 -3,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.568 85.1 131.0 71.7 11.5 29.2 57.7 -14.2 105 109 A S S < S- 0 0 0 -3,-2.3 162,-0.1 161,-0.1 -2,-0.1 0.627 84.4 -95.1 -72.3 -12.2 32.0 55.2 -13.5 106 110 A G S > S+ 0 0 9 -4,-0.2 4,-2.4 160,-0.1 5,-0.3 0.497 77.0 139.9 114.3 5.9 29.6 52.6 -12.1 107 111 A K H > S+ 0 0 21 -5,-0.3 4,-1.5 1,-0.2 3,-0.1 0.913 80.5 42.9 -43.6 -57.4 29.8 53.2 -8.3 108 112 A T H > S+ 0 0 29 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.861 109.7 57.3 -61.2 -39.3 26.0 52.7 -7.9 109 113 A Q H > S+ 0 0 46 1,-0.2 4,-3.6 2,-0.2 5,-0.2 0.922 105.1 51.2 -58.3 -45.5 25.9 49.7 -10.3 110 114 A I H X S+ 0 0 3 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.874 109.8 50.7 -60.7 -36.9 28.5 47.9 -8.1 111 115 A M H X S+ 0 0 0 -4,-1.5 4,-1.5 -5,-0.3 -2,-0.2 0.940 114.1 43.5 -66.2 -47.4 26.3 48.6 -5.1 112 116 A H H >X S+ 0 0 1 -4,-2.6 4,-1.8 1,-0.2 3,-0.7 0.960 111.9 52.9 -61.7 -51.8 23.2 47.2 -6.8 113 117 A Q H 3X S+ 0 0 4 -4,-3.6 4,-2.9 1,-0.3 -1,-0.2 0.850 107.4 54.3 -52.7 -36.6 25.1 44.2 -8.3 114 118 A S H 3X S+ 0 0 1 -4,-1.8 4,-1.4 -5,-0.2 -1,-0.3 0.848 104.3 51.8 -68.7 -35.8 26.3 43.4 -4.7 115 119 A C H << S+ 0 0 0 -4,-1.5 4,-0.4 -3,-0.7 -1,-0.2 0.867 114.0 46.0 -68.3 -33.2 22.8 43.3 -3.3 116 120 A V H >< S+ 0 0 0 -4,-1.8 3,-1.7 1,-0.2 -2,-0.2 0.940 109.7 52.0 -71.9 -50.2 21.9 40.9 -6.0 117 121 A N H >< S+ 0 0 0 -4,-2.9 3,-1.4 1,-0.3 6,-0.3 0.756 97.0 69.2 -59.5 -25.6 25.0 38.7 -5.6 118 122 A L T 3< S+ 0 0 1 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.798 96.1 54.6 -64.0 -28.2 24.2 38.4 -1.9 119 123 A Q T < S+ 0 0 29 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 0.415 89.9 80.7 -87.2 0.1 21.1 36.3 -2.8 120 124 A N X - 0 0 28 -3,-1.4 3,-3.1 -4,-0.2 4,-0.2 -0.886 69.5-160.0-106.3 98.1 23.2 33.8 -4.8 121 125 A P G > S+ 0 0 98 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.733 87.7 66.7 -49.1 -27.0 24.7 31.6 -2.1 122 126 A E G 3 S+ 0 0 150 1,-0.2 -4,-0.1 -3,-0.1 -5,-0.0 0.668 93.2 62.0 -70.2 -16.4 27.3 30.4 -4.5 123 127 A F G < S+ 0 0 50 -3,-3.1 -46,-2.1 -6,-0.3 2,-0.8 0.460 82.5 86.9 -90.1 -3.3 28.7 34.0 -4.5 124 128 A L E < -B 76 0A 11 -3,-1.3 2,-0.5 -4,-0.2 -48,-0.2 -0.883 66.1-160.9 -99.1 111.6 29.6 34.0 -0.8 125 129 A F E +B 75 0A 81 -50,-3.2 -50,-3.1 -2,-0.8 2,-0.3 -0.802 26.3 138.5 -96.2 130.6 33.0 32.5 -0.3 126 130 A Y - 0 0 58 -2,-0.5 2,-1.1 -52,-0.2 -52,-0.1 -0.991 59.7 -94.2-163.8 162.7 34.1 31.2 3.1 127 131 A D >> - 0 0 81 -56,-0.5 4,-2.5 -2,-0.3 3,-2.4 -0.759 33.1-151.3 -84.9 102.1 35.8 28.5 5.0 128 132 A E T 34 S+ 0 0 132 -2,-1.1 5,-0.2 1,-0.3 -1,-0.2 0.520 93.9 60.7 -53.4 -4.5 32.9 26.2 5.9 129 133 A E T 34 S+ 0 0 172 3,-0.1 -1,-0.3 -58,-0.1 3,-0.1 0.725 114.5 29.5 -94.8 -27.8 34.9 25.3 9.0 130 134 A A T <4 S+ 0 0 37 -3,-2.4 2,-0.5 1,-0.3 -2,-0.2 0.611 124.8 47.6-104.5 -21.8 35.0 28.8 10.5 131 135 A V S < S- 0 0 0 -4,-2.5 -1,-0.3 -58,-0.1 -5,-0.0 -0.959 79.0-148.7-127.3 112.0 31.7 30.1 9.0 132 136 A S > - 0 0 69 -2,-0.5 4,-0.6 -3,-0.1 3,-0.4 -0.266 25.2-113.7 -73.6 163.2 28.7 27.8 9.3 133 137 A K T >4 S+ 0 0 138 1,-0.2 3,-0.9 2,-0.2 -1,-0.1 0.873 114.9 58.8 -65.0 -37.8 25.9 27.7 6.8 134 138 A G G >4 S+ 0 0 56 1,-0.2 3,-1.3 2,-0.2 -1,-0.2 0.810 96.2 61.2 -62.5 -31.3 23.4 29.2 9.3 135 139 A E G 34 S+ 0 0 67 -3,-0.4 -1,-0.2 1,-0.3 -2,-0.2 0.755 114.3 35.0 -68.5 -24.9 25.5 32.3 9.8 136 140 A V G << S+ 0 0 15 -3,-0.9 2,-0.4 -4,-0.6 -1,-0.3 0.018 93.7 121.9-116.4 25.6 25.1 33.2 6.1 137 141 A A S < S+ 0 0 46 -3,-1.3 63,-0.1 1,-0.3 3,-0.1 -0.750 80.3 3.5 -93.4 135.1 21.5 31.8 5.8 138 142 A Q S S- 0 0 156 -2,-0.4 62,-0.5 1,-0.1 -1,-0.3 0.954 89.3-163.7 56.9 50.9 18.7 34.2 4.7 139 143 A P E -f 200 0B 14 0, 0.0 2,-0.3 0, 0.0 62,-0.2 -0.411 5.2-163.1 -68.7 141.2 21.3 37.0 4.2 140 144 A K E -f 201 0B 30 60,-2.4 62,-2.8 -3,-0.1 63,-1.2 -0.906 5.5-142.5-125.4 154.1 19.8 40.5 3.9 141 145 A A E -fg 203 173B 0 31,-2.7 33,-3.8 -2,-0.3 2,-0.5 -0.870 0.7-149.9-118.3 151.1 21.2 43.7 2.6 142 146 A V E -fg 204 174B 6 61,-2.9 63,-3.1 -2,-0.3 2,-0.6 -0.983 11.1-168.2-121.0 127.3 20.9 47.3 3.8 143 147 A Y E -fg 205 175B 0 31,-3.8 33,-3.0 -2,-0.5 2,-0.9 -0.951 6.3-165.0-121.3 109.3 21.2 50.1 1.2 144 148 A I E -fg 206 176B 0 61,-3.2 63,-2.5 -2,-0.6 2,-0.8 -0.855 14.4-161.1 -96.0 103.8 21.5 53.6 2.5 145 149 A D E +fg 207 177B 7 31,-2.2 33,-2.5 -2,-0.9 63,-0.3 -0.817 23.9 164.9 -94.6 110.8 20.7 55.7 -0.6 146 150 A T S S+ 0 0 7 61,-3.5 62,-0.4 -2,-0.8 -1,-0.2 0.705 76.6 48.1 -93.2 -27.6 22.0 59.2 -0.3 147 151 A E S S- 0 0 80 60,-1.1 61,-0.1 64,-0.0 -1,-0.1 0.720 102.6-120.2 -88.7 -27.1 21.7 60.1 -4.0 148 152 A G S S+ 0 0 19 59,-0.3 29,-0.1 30,-0.0 -3,-0.0 0.693 78.6 120.4 89.1 22.6 18.2 58.9 -4.7 149 153 A T + 0 0 51 58,-0.2 2,-0.5 2,-0.0 -3,-0.0 0.081 24.1 129.6-107.8 23.8 19.5 56.5 -7.3 150 154 A F - 0 0 31 57,-0.1 -5,-0.0 -7,-0.0 25,-0.0 -0.685 39.1-167.8 -77.3 126.5 18.3 53.2 -6.0 151 155 A R >> - 0 0 112 -2,-0.5 4,-1.4 1,-0.1 3,-0.7 -0.864 19.9-170.5-123.0 101.1 16.6 51.5 -8.9 152 156 A P H 3> S+ 0 0 56 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.826 91.1 59.6 -55.9 -30.4 14.5 48.3 -8.1 153 157 A E H 3> S+ 0 0 124 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.921 103.3 51.1 -63.6 -42.4 14.1 47.8 -11.9 154 158 A R H <> S+ 0 0 35 -3,-0.7 4,-2.2 1,-0.2 -1,-0.2 0.813 107.6 53.6 -64.3 -30.7 17.9 47.5 -12.1 155 159 A I H X S+ 0 0 0 -4,-1.4 4,-2.5 2,-0.2 -1,-0.2 0.941 109.8 47.8 -67.8 -47.1 17.9 45.0 -9.3 156 160 A M H X S+ 0 0 66 -4,-2.2 4,-3.1 2,-0.2 10,-0.2 0.906 113.2 47.5 -59.1 -46.1 15.4 42.8 -11.2 157 161 A Q H X S+ 0 0 63 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.921 112.9 46.9 -64.9 -45.3 17.3 43.0 -14.4 158 162 A M H < S+ 0 0 1 -4,-2.2 4,-0.4 1,-0.2 -1,-0.2 0.908 115.4 48.7 -63.3 -39.7 20.7 42.1 -12.8 159 163 A A H >X>S+ 0 0 0 -4,-2.5 3,-1.7 -5,-0.2 5,-1.4 0.950 108.0 51.6 -65.4 -52.0 18.9 39.3 -10.9 160 164 A E H ><5S+ 0 0 116 -4,-3.1 3,-1.5 1,-0.3 -2,-0.2 0.926 107.5 52.2 -52.5 -50.4 17.2 37.8 -13.9 161 165 A H T 3<5S+ 0 0 86 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.618 112.2 48.6 -63.3 -10.8 20.4 37.6 -16.0 162 166 A A T <45S- 0 0 47 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 0.512 114.6-115.1-104.2 -11.2 21.9 35.8 -13.0 163 167 A G T <<5S+ 0 0 71 -3,-1.5 -3,-0.2 -4,-0.9 2,-0.2 0.328 76.5 126.8 92.8 -8.3 19.1 33.3 -12.6 164 168 A I S > - 0 0 94 -2,-0.2 4,-1.1 1,-0.2 3,-0.7 -0.702 24.3-150.1 -81.3 117.7 14.7 35.8 -8.5 166 170 A G H >> S+ 0 0 8 -2,-0.6 4,-2.0 1,-0.3 3,-1.1 0.908 95.2 53.1 -51.4 -51.4 14.5 39.6 -8.6 167 171 A Q H 3> S+ 0 0 82 1,-0.3 4,-2.3 2,-0.2 -1,-0.3 0.807 103.7 59.3 -57.4 -29.7 11.6 39.9 -6.2 168 172 A T H <> S+ 0 0 53 -3,-0.7 4,-0.9 2,-0.2 -1,-0.3 0.838 104.6 49.6 -68.2 -32.9 13.6 37.7 -3.7 169 173 A V H X< S+ 0 0 0 -4,-1.1 3,-0.5 -3,-1.1 -28,-0.2 0.935 110.9 49.3 -70.1 -45.3 16.4 40.3 -3.8 170 174 A L H >< S+ 0 0 44 -4,-2.0 3,-1.2 1,-0.2 -2,-0.2 0.876 107.9 54.0 -60.6 -40.1 13.9 43.1 -3.1 171 175 A D H 3< S+ 0 0 102 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.781 113.8 42.9 -67.3 -24.6 12.4 41.2 -0.2 172 176 A N T << S+ 0 0 24 -4,-0.9 -31,-2.7 -3,-0.5 2,-0.4 0.075 99.4 81.4-111.2 26.1 15.8 40.8 1.4 173 177 A T E < -g 141 0B 15 -3,-1.2 2,-0.5 -33,-0.2 -31,-0.2 -0.986 62.4-153.6-132.4 120.6 17.2 44.3 0.9 174 178 A F E -g 142 0B 66 -33,-3.8 -31,-3.8 -2,-0.4 2,-0.5 -0.823 12.7-162.4 -94.0 130.3 16.3 47.2 3.1 175 179 A V E -g 143 0B 64 -2,-0.5 2,-0.5 -33,-0.2 -31,-0.2 -0.957 7.9-174.0-117.8 129.2 16.6 50.6 1.5 176 180 A A E -g 144 0B 18 -33,-3.0 -31,-2.2 -2,-0.5 2,-0.7 -0.982 16.6-145.1-124.4 119.5 16.8 53.9 3.4 177 181 A R E -g 145 0B 83 -2,-0.5 2,-0.4 -33,-0.2 -31,-0.2 -0.761 18.5-165.6 -86.3 113.5 16.7 57.2 1.6 178 182 A A - 0 0 0 -33,-2.5 3,-0.1 -2,-0.7 -30,-0.0 -0.844 16.2-175.0-101.9 135.9 19.0 59.7 3.4 179 183 A Y S S+ 0 0 153 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.467 71.1 10.9-106.9 -4.4 18.7 63.4 2.6 180 184 A N S > S- 0 0 49 1,-0.0 4,-2.7 36,-0.0 5,-0.2 -0.966 85.8 -90.9-161.7 169.8 21.6 64.5 4.8 181 185 A S H > S+ 0 0 0 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.807 120.1 58.5 -59.1 -31.9 24.6 63.3 6.8 182 186 A D H > S+ 0 0 95 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.951 110.9 39.7 -64.9 -48.9 22.5 63.1 10.0 183 187 A M H > S+ 0 0 62 2,-0.2 4,-3.4 1,-0.2 5,-0.3 0.944 115.0 54.2 -63.8 -46.5 20.0 60.7 8.4 184 188 A Q H X S+ 0 0 0 -4,-2.7 4,-1.4 1,-0.2 -2,-0.2 0.917 114.0 41.5 -52.7 -47.6 22.8 58.8 6.7 185 189 A M H X S+ 0 0 8 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.921 115.2 48.7 -68.1 -45.5 24.5 58.4 10.0 186 190 A L H X S+ 0 0 78 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.926 108.5 53.6 -61.7 -46.8 21.4 57.5 12.0 187 191 A F H < S+ 0 0 61 -4,-3.4 -1,-0.2 1,-0.2 -2,-0.2 0.884 108.8 51.7 -54.1 -40.2 20.3 54.9 9.5 188 192 A A H >< S+ 0 0 1 -4,-1.4 3,-1.3 -5,-0.3 4,-0.3 0.913 110.0 46.8 -63.8 -44.8 23.7 53.3 9.8 189 193 A E H >< S+ 0 0 85 -4,-2.1 3,-1.0 1,-0.3 4,-0.2 0.808 106.9 60.0 -68.3 -28.4 23.4 53.2 13.6 190 194 A K T 3X S+ 0 0 104 -4,-2.3 4,-1.1 1,-0.2 3,-0.4 0.417 79.7 85.5 -80.9 3.0 19.9 51.8 13.3 191 195 A I H <> S+ 0 0 2 -3,-1.3 4,-1.4 1,-0.2 -1,-0.2 0.810 80.4 64.6 -72.0 -26.5 21.2 48.8 11.4 192 196 A E H <> S+ 0 0 56 -3,-1.0 4,-2.1 -4,-0.3 -1,-0.2 0.853 97.9 55.7 -62.8 -33.2 21.8 47.2 14.8 193 197 A D H > S+ 0 0 63 -3,-0.4 4,-0.9 -4,-0.2 -1,-0.2 0.895 101.3 55.0 -66.6 -41.5 18.1 47.3 15.3 194 198 A L H <>S+ 0 0 35 -4,-1.1 5,-2.3 1,-0.2 -1,-0.2 0.844 110.2 48.8 -60.6 -32.7 17.3 45.3 12.2 195 199 A I H ><5S+ 0 0 40 -4,-1.4 3,-2.2 1,-0.2 -2,-0.2 0.927 107.9 50.0 -74.5 -45.0 19.6 42.6 13.4 196 200 A Q H 3<5S+ 0 0 87 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.635 104.4 63.6 -67.9 -11.3 18.1 42.4 16.9 197 201 A E T 3<5S- 0 0 133 -4,-0.9 -1,-0.3 -5,-0.2 -2,-0.2 0.328 130.7 -94.9 -91.8 5.7 14.8 42.2 15.1 198 202 A G T < 5S+ 0 0 67 -3,-2.2 2,-0.5 1,-0.3 -3,-0.2 0.384 79.1 139.4 100.3 -3.2 16.0 38.9 13.6 199 203 A N < - 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