==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER RECOMBINATION 14-AUG-06 2I1Q . COMPND 2 MOLECULE: DNA REPAIR AND RECOMBINATION PROTEIN RADA; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCOCCUS VOLTAE; . AUTHOR X.QIAN,Y.HE,X.MA,M.N.FODJE,P.GROCHULSKI,Y.LUO . 311 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15048.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 232 74.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 10.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 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 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 31.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.9 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 4 2 0 1 1 2 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 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 PARALLEL BRIDGES PER LADDER . 0 3 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 . 1 1 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 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 38 0, 0.0 3,-2.1 0, 0.0 6,-0.2 0.000 360.0 360.0 360.0 -34.3 22.5 38.4 30.3 2 6 A T T 3 + 0 0 85 1,-0.3 4,-0.1 4,-0.1 5,-0.1 0.605 360.0 76.6 -67.7 -7.5 22.0 36.9 33.8 3 7 A D T 3 S+ 0 0 127 2,-0.1 -1,-0.3 5,-0.1 3,-0.1 0.751 79.1 94.6 -70.2 -21.7 25.1 34.7 33.1 4 8 A L S X S- 0 0 3 -3,-2.1 3,-1.7 1,-0.1 44,-0.1 -0.507 92.0 -99.9 -75.3 135.8 27.1 37.9 33.8 5 9 A P T 3 S+ 0 0 55 0, 0.0 46,-0.2 0, 0.0 -1,-0.1 -0.262 106.6 10.1 -56.3 130.6 28.4 38.5 37.3 6 10 A G T 3 S+ 0 0 65 1,-0.2 2,-0.6 -4,-0.1 5,-0.1 0.112 99.2 120.3 87.5 -22.7 26.3 40.9 39.3 7 11 A V < + 0 0 9 -3,-1.7 -1,-0.2 -6,-0.2 -3,-0.0 -0.672 37.2 174.3 -83.4 117.1 23.5 40.8 36.7 8 12 A G > - 0 0 25 -2,-0.6 4,-2.6 -3,-0.1 5,-0.2 -0.496 50.6 -83.7-108.2-179.0 20.2 39.5 38.0 9 13 A P H > S+ 0 0 97 0, 0.0 4,-1.4 0, 0.0 5,-0.1 0.849 128.1 48.9 -55.9 -37.7 16.8 39.4 36.3 10 14 A S H > S+ 0 0 79 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.920 112.9 45.4 -70.2 -44.1 16.0 43.0 37.1 11 15 A T H > S+ 0 0 33 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.887 108.4 58.3 -66.1 -37.3 19.3 44.3 35.9 12 16 A A H X S+ 0 0 14 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.884 105.1 51.4 -58.3 -39.0 19.0 42.2 32.8 13 17 A E H X S+ 0 0 106 -4,-1.4 4,-2.6 2,-0.2 -1,-0.2 0.931 108.4 49.9 -63.7 -46.9 15.7 44.0 32.1 14 18 A K H X S+ 0 0 31 -4,-1.8 4,-1.5 1,-0.2 -2,-0.2 0.908 111.4 50.5 -58.8 -42.2 17.2 47.4 32.4 15 19 A L H X>S+ 0 0 0 -4,-2.5 5,-2.8 2,-0.2 4,-0.5 0.943 110.9 45.8 -62.5 -51.6 20.0 46.4 30.1 16 20 A V H ><5S+ 0 0 60 -4,-2.4 3,-1.5 1,-0.2 -1,-0.2 0.922 112.5 51.7 -59.3 -43.2 17.8 45.1 27.3 17 21 A E H 3<5S+ 0 0 151 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.816 109.1 52.2 -61.9 -29.9 15.6 48.2 27.6 18 22 A A H 3<5S- 0 0 41 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.513 125.9-102.4 -84.1 -6.8 18.7 50.2 27.3 19 23 A G T <<5S+ 0 0 18 -3,-1.5 2,-0.9 -4,-0.5 3,-0.2 0.481 84.6 124.0 99.4 3.1 19.7 48.4 24.1 20 24 A Y < + 0 0 22 -5,-2.8 -1,-0.2 -6,-0.2 -2,-0.2 -0.809 16.5 130.0-101.4 96.5 22.4 46.1 25.6 21 25 A I + 0 0 72 -2,-0.9 2,-0.4 -5,-0.1 -1,-0.2 0.508 53.8 77.1-119.0 -13.9 21.4 42.5 24.8 22 26 A D S > S- 0 0 76 -3,-0.2 4,-1.4 1,-0.1 5,-0.2 -0.810 72.8-137.4-103.6 140.4 24.6 41.2 23.4 23 27 A F H > S+ 0 0 54 -2,-0.4 4,-2.8 1,-0.2 5,-0.2 0.881 105.3 55.4 -60.8 -38.8 27.6 40.2 25.5 24 28 A M H > S+ 0 0 59 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.887 103.2 53.3 -63.2 -39.9 30.0 41.9 23.0 25 29 A K H 4 S+ 0 0 32 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.881 114.3 43.2 -63.3 -35.7 28.2 45.3 23.3 26 30 A I H >< S+ 0 0 0 -4,-1.4 3,-1.4 1,-0.2 -2,-0.2 0.886 111.2 53.4 -75.3 -40.5 28.6 45.1 27.1 27 31 A A H 3< S+ 0 0 2 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.816 114.2 43.6 -64.1 -30.1 32.2 43.9 26.9 28 32 A T T 3< S+ 0 0 48 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.175 97.0 103.8-101.1 16.0 33.0 46.9 24.7 29 33 A A < - 0 0 5 -3,-1.4 2,-0.3 -5,-0.1 -3,-0.1 -0.476 68.4-119.2 -94.2 168.0 31.1 49.4 26.7 30 34 A T > - 0 0 79 -2,-0.1 4,-1.7 1,-0.1 5,-0.3 -0.788 22.5-117.9-106.1 150.2 32.3 52.1 29.1 31 35 A V H > S+ 0 0 59 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.891 115.0 56.1 -51.5 -39.6 31.4 52.3 32.8 32 36 A G H > S+ 0 0 33 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.961 103.7 48.3 -58.3 -57.5 29.8 55.6 32.0 33 37 A E H 4 S+ 0 0 54 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.793 116.2 45.8 -56.8 -29.5 27.4 54.5 29.3 34 38 A L H >< S+ 0 0 0 -4,-1.7 3,-1.7 1,-0.2 -1,-0.2 0.868 109.9 52.3 -80.8 -38.0 26.3 51.7 31.5 35 39 A T H 3< S+ 0 0 42 -4,-2.6 5,-0.3 1,-0.3 -2,-0.2 0.702 94.1 73.4 -69.1 -18.0 25.9 53.9 34.6 36 40 A D T 3< S+ 0 0 139 -4,-1.6 2,-0.5 -5,-0.2 -1,-0.3 0.631 80.8 91.0 -68.2 -12.3 23.8 56.1 32.4 37 41 A I S X S- 0 0 20 -3,-1.7 3,-2.0 -5,-0.2 -22,-0.1 -0.775 94.7-110.0 -88.8 123.5 21.3 53.3 32.8 38 42 A E T 3 S+ 0 0 178 -2,-0.5 2,-1.1 1,-0.3 -1,-0.1 0.672 102.4 18.4 -12.5-104.2 19.0 54.0 35.8 39 43 A G T 3 S+ 0 0 54 -3,-0.1 2,-0.7 1,-0.1 -1,-0.3 -0.071 93.3 114.9 -76.0 37.7 19.8 51.5 38.6 40 44 A I < - 0 0 5 -3,-2.0 -3,-0.2 -2,-1.1 -1,-0.1 -0.878 51.6-156.9-112.6 102.7 23.3 50.5 37.3 41 45 A S > - 0 0 59 -2,-0.7 4,-2.4 1,-0.1 5,-0.2 -0.091 29.5-105.4 -68.4 170.7 26.0 51.5 39.7 42 46 A E H > S+ 0 0 149 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.928 120.2 47.5 -64.0 -47.2 29.7 52.0 38.8 43 47 A K H > S+ 0 0 138 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.904 112.6 48.5 -62.9 -42.5 30.8 48.8 40.5 44 48 A A H > S+ 0 0 28 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.940 113.2 48.4 -62.7 -46.3 28.0 46.7 38.8 45 49 A A H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.946 113.7 45.9 -58.1 -50.8 28.8 48.2 35.4 46 50 A A H X S+ 0 0 46 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.883 112.8 51.8 -61.4 -38.6 32.6 47.5 35.9 47 51 A K H X S+ 0 0 102 -4,-2.6 4,-1.9 -5,-0.2 -1,-0.2 0.892 111.2 44.9 -68.0 -40.3 31.8 44.0 37.1 48 52 A M H X S+ 0 0 2 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.825 111.3 53.8 -74.7 -29.3 29.6 43.1 34.1 49 53 A I H X S+ 0 0 5 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.957 111.2 45.2 -67.2 -48.5 32.0 44.6 31.6 50 54 A M H X S+ 0 0 138 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.891 114.4 50.4 -60.3 -40.1 34.9 42.5 33.0 51 55 A G H X S+ 0 0 8 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.888 109.6 49.4 -65.9 -39.7 32.6 39.5 33.0 52 56 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.891 109.5 52.1 -67.1 -39.6 31.5 40.0 29.4 53 57 A R H <>S+ 0 0 121 -4,-2.4 5,-2.3 2,-0.2 4,-0.3 0.932 111.6 47.6 -61.4 -44.0 35.1 40.4 28.3 54 58 A D H ><5S+ 0 0 122 -4,-2.1 3,-1.1 3,-0.2 -2,-0.2 0.937 111.9 47.9 -62.9 -48.6 35.9 37.1 30.0 55 59 A L H 3<5S+ 0 0 75 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.856 116.4 44.3 -61.5 -35.2 32.9 35.2 28.5 56 60 A C T 3<5S- 0 0 41 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.478 111.6-129.5 -86.5 -2.6 33.8 36.6 25.1 57 61 A D T < 5 + 0 0 105 -3,-1.1 2,-1.0 -4,-0.3 -3,-0.2 0.952 40.3 171.8 53.2 59.5 37.4 35.7 25.9 58 62 A L < + 0 0 83 -5,-2.3 -1,-0.2 -6,-0.1 2,-0.1 -0.503 34.0 109.0 -97.9 64.7 38.8 39.1 25.0 59 63 A G S S- 0 0 49 -2,-1.0 2,-0.3 1,-0.2 -5,-0.0 -0.292 77.6 -44.6-117.6-156.9 42.4 38.6 26.2 60 64 A F - 0 0 211 -2,-0.1 2,-0.3 2,-0.0 -1,-0.2 -0.584 57.2-168.9 -77.1 137.1 45.8 38.2 24.6 61 65 A K + 0 0 75 -2,-0.3 2,-0.3 -3,-0.1 -3,-0.0 -0.911 11.0 163.4-125.5 153.3 45.9 35.8 21.7 62 66 A S > + 0 0 87 -2,-0.3 3,-1.4 0, 0.0 4,-0.1 -0.947 41.9 16.6-156.8 175.1 48.9 34.2 19.8 63 67 A G T >> S- 0 0 52 -2,-0.3 3,-1.9 1,-0.3 4,-0.6 -0.228 124.9 -4.9 58.5-140.5 49.9 31.4 17.5 64 68 A I H >> S+ 0 0 112 1,-0.3 4,-1.9 2,-0.2 3,-0.8 0.762 125.0 72.6 -56.6 -28.9 47.1 29.7 15.6 65 69 A D H <> S+ 0 0 90 -3,-1.4 4,-1.6 1,-0.3 -1,-0.3 0.791 90.4 59.2 -59.8 -26.6 44.5 31.7 17.5 66 70 A L H <> S+ 0 0 99 -3,-1.9 4,-1.5 1,-0.2 -1,-0.3 0.857 106.3 47.2 -70.1 -34.0 45.5 34.7 15.4 67 71 A L H < S+ 0 0 116 -4,-1.6 3,-1.5 1,-0.2 -1,-0.2 0.931 109.8 49.7 -66.8 -44.3 40.4 35.3 14.4 70 74 A R H >< S+ 0 0 102 -4,-1.5 3,-1.2 1,-0.3 -1,-0.2 0.770 101.7 65.6 -65.2 -25.2 41.2 36.3 10.9 71 75 A S T 3< S+ 0 0 27 -4,-1.5 56,-0.6 1,-0.2 -1,-0.3 0.578 83.8 72.5 -74.9 -10.5 39.1 33.4 9.6 72 76 A T T < S+ 0 0 36 -3,-1.5 2,-0.5 -4,-0.3 -1,-0.2 0.543 76.7 99.3 -80.5 -5.9 35.9 34.9 11.0 73 77 A V < - 0 0 15 -3,-1.2 2,-0.3 -4,-0.2 54,-0.2 -0.705 56.8-171.1 -82.7 123.2 36.1 37.5 8.2 74 78 A W - 0 0 0 -2,-0.5 19,-2.3 52,-0.1 2,-0.4 -0.765 10.7-139.8-108.6 161.9 33.8 36.5 5.3 75 79 A K E -AB 92 125A 44 50,-2.6 50,-3.2 -2,-0.3 2,-0.5 -0.966 1.9-139.1-131.3 144.5 33.8 38.3 1.9 76 80 A L E -AB 91 124A 0 15,-2.5 15,-3.0 -2,-0.4 48,-0.2 -0.847 24.7-124.3-101.6 128.9 31.2 39.5 -0.6 77 81 A S - 0 0 7 46,-2.6 13,-0.1 -2,-0.5 40,-0.1 -0.372 7.7-154.6 -69.3 146.6 31.8 39.0 -4.3 78 82 A T - 0 0 3 2,-0.4 -1,-0.1 -2,-0.1 232,-0.1 0.419 41.9-114.1 -99.3 -1.9 31.6 42.1 -6.5 79 83 A S S S+ 0 0 35 1,-0.2 2,-0.5 44,-0.1 233,-0.4 0.381 90.4 105.6 80.5 -2.2 30.7 40.1 -9.6 80 84 A S > - 0 0 0 231,-0.2 4,-2.5 1,-0.2 -2,-0.4 -0.953 60.5-156.6-111.7 122.9 34.0 41.2 -11.1 81 85 A S H > S+ 0 0 86 -2,-0.5 4,-1.7 231,-0.3 -1,-0.2 0.927 95.2 45.1 -61.3 -49.0 36.8 38.6 -11.2 82 86 A E H > S+ 0 0 92 220,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.896 114.3 48.2 -65.1 -40.7 39.6 41.1 -11.2 83 87 A L H > S+ 0 0 1 2,-0.2 4,-2.0 1,-0.2 6,-0.2 0.932 109.5 52.2 -66.3 -45.1 38.1 43.3 -8.5 84 88 A D H <>S+ 0 0 20 -4,-2.5 5,-3.3 1,-0.2 -1,-0.2 0.883 111.4 50.0 -57.3 -36.1 37.5 40.3 -6.2 85 89 A S H ><5S+ 0 0 91 -4,-1.7 3,-1.7 3,-0.2 -2,-0.2 0.930 108.4 48.8 -68.3 -46.8 41.1 39.4 -6.8 86 90 A V H 3<5S+ 0 0 18 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.805 109.2 56.3 -62.6 -27.8 42.5 42.9 -5.9 87 91 A L T 3<5S- 0 0 2 -4,-2.0 3,-0.5 -5,-0.2 -1,-0.3 0.489 119.2-112.7 -81.1 -5.6 40.3 42.7 -2.8 88 92 A G T < 5S- 0 0 32 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.714 90.8 -23.2 79.4 19.4 42.0 39.4 -1.8 89 93 A G S -A 75 0A 3 -2,-0.3 3,-0.7 -17,-0.2 156,-0.5 -0.526 7.4-137.3 -81.8 135.9 35.6 42.1 3.7 93 97 A S T 3 S+ 0 0 0 -19,-2.3 154,-0.3 -2,-0.3 149,-0.1 -0.413 92.0 38.8 -76.7 162.7 33.2 41.9 6.7 94 98 A Q T 3 S+ 0 0 33 152,-1.9 2,-0.3 147,-0.6 -1,-0.2 0.704 108.7 81.2 67.2 20.8 34.5 43.6 9.8 95 99 A S E < S-c 247 0B 12 -3,-0.7 153,-1.8 151,-0.5 2,-0.5 -0.971 76.0-121.4-150.2 162.0 36.0 46.5 7.7 96 100 A V E -c 248 0B 0 -2,-0.3 177,-2.4 175,-0.2 178,-2.1 -0.945 25.8-165.3-108.6 122.9 35.0 49.7 5.9 97 101 A T E -cd 249 274B 0 151,-2.6 153,-2.3 -2,-0.5 2,-0.5 -0.946 5.5-157.7-113.8 123.1 35.6 49.7 2.2 98 102 A E E -cd 250 275B 0 176,-2.9 178,-2.4 -2,-0.5 2,-0.6 -0.857 9.5-166.8-106.7 130.0 35.5 53.1 0.4 99 103 A F E +cd 251 276B 0 151,-2.8 153,-1.9 -2,-0.5 2,-0.3 -0.946 17.1 174.8-113.7 109.5 34.9 53.6 -3.3 100 104 A A E +cd 252 277B 0 176,-2.3 178,-2.8 -2,-0.6 2,-0.3 -0.758 14.2 126.5-109.2 158.7 35.7 57.1 -4.4 101 105 A G E - d 0 278B 4 151,-1.2 153,-0.3 -2,-0.3 178,-0.1 -0.856 54.9 -66.6 164.1 161.6 35.7 58.5 -7.9 102 106 A V S > S- 0 0 53 176,-0.5 3,-1.6 -2,-0.3 5,-0.3 -0.078 72.8 -69.1 -61.3 165.4 34.5 61.0 -10.4 103 107 A F T 3 S+ 0 0 159 1,-0.3 -1,-0.1 2,-0.1 150,-0.0 -0.149 121.2 18.9 -53.7 152.2 30.8 61.3 -11.3 104 108 A G T 3 S+ 0 0 48 1,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.574 85.4 122.6 61.4 11.4 29.5 58.3 -13.4 105 109 A S S < S- 0 0 0 -3,-1.6 -2,-0.1 -4,-0.1 -1,-0.1 0.722 86.7-101.1 -76.6 -21.0 32.4 56.1 -12.3 106 110 A G S > S+ 0 0 7 -4,-0.2 4,-2.3 -5,-0.1 5,-0.2 0.570 77.6 133.9 114.5 12.2 30.1 53.5 -10.9 107 111 A K H > S+ 0 0 23 -5,-0.3 4,-1.7 1,-0.2 5,-0.1 0.951 81.7 42.4 -56.8 -53.3 30.1 54.0 -7.1 108 112 A T H > S+ 0 0 26 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.854 111.0 57.7 -64.1 -33.5 26.4 53.8 -6.8 109 113 A Q H > S+ 0 0 49 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.917 105.1 50.3 -62.4 -44.0 26.3 50.8 -9.2 110 114 A I H X S+ 0 0 3 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.885 108.7 52.7 -62.5 -37.8 28.7 48.9 -6.9 111 115 A M H X S+ 0 0 0 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.939 112.2 44.5 -63.8 -45.3 26.4 49.6 -3.9 112 116 A H H X S+ 0 0 2 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.910 111.9 52.6 -64.7 -42.4 23.4 48.3 -5.8 113 117 A Q H X S+ 0 0 4 -4,-2.7 4,-3.2 1,-0.2 -1,-0.2 0.867 106.5 54.2 -61.4 -36.7 25.3 45.2 -7.0 114 118 A S H X S+ 0 0 1 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.890 105.9 51.3 -66.6 -39.1 26.4 44.4 -3.5 115 119 A C H < S+ 0 0 0 -4,-1.6 4,-0.5 2,-0.2 -1,-0.2 0.881 114.6 44.6 -64.3 -37.2 22.8 44.4 -2.2 116 120 A V H >< S+ 0 0 0 -4,-1.8 3,-1.5 1,-0.2 -2,-0.2 0.943 111.6 51.2 -71.1 -47.9 21.9 42.0 -5.0 117 121 A N H >< S+ 0 0 0 -4,-3.2 3,-2.2 1,-0.3 6,-0.3 0.803 96.8 68.8 -60.7 -30.5 24.9 39.8 -4.5 118 122 A L T 3< S+ 0 0 1 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.800 95.2 57.8 -58.2 -29.0 24.2 39.5 -0.8 119 123 A Q T < S+ 0 0 29 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 0.354 88.3 81.7 -86.4 6.3 21.1 37.5 -1.8 120 124 A N X - 0 0 29 -3,-2.2 3,-3.0 1,-0.1 4,-0.2 -0.915 69.3-156.5-112.7 102.0 23.2 34.9 -3.7 121 125 A P G > S+ 0 0 107 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.787 91.5 60.1 -44.8 -38.4 24.5 32.4 -1.1 122 126 A E G 3 S+ 0 0 161 1,-0.2 -5,-0.0 -3,-0.1 -3,-0.0 0.544 94.5 65.5 -72.3 -6.6 27.4 31.4 -3.4 123 127 A F G < S+ 0 0 49 -3,-3.0 -46,-2.6 -6,-0.3 2,-0.7 0.440 83.0 81.9 -95.3 -0.9 28.6 35.0 -3.4 124 128 A L E < S-B 76 0A 10 -3,-1.3 2,-0.5 -4,-0.2 -48,-0.2 -0.932 70.0-158.3-104.9 113.8 29.5 35.1 0.3 125 129 A F E +B 75 0A 85 -50,-3.2 -50,-2.6 -2,-0.7 2,-0.3 -0.825 27.2 143.2 -97.5 124.4 33.0 33.4 0.7 126 130 A Y - 0 0 62 -2,-0.5 2,-0.8 -52,-0.2 -52,-0.1 -0.982 54.0-102.6-156.1 165.2 33.8 32.1 4.1 127 131 A D >> - 0 0 63 -56,-0.6 4,-2.9 -2,-0.3 3,-2.0 -0.838 25.5-153.4 -92.7 110.1 35.5 29.4 6.1 128 132 A E T 34 S+ 0 0 128 -2,-0.8 -1,-0.1 1,-0.3 5,-0.1 0.735 94.1 63.4 -56.4 -22.4 32.8 27.1 7.4 129 133 A E T 34 S+ 0 0 175 1,-0.2 -1,-0.3 3,-0.1 3,-0.1 0.749 118.4 24.0 -74.3 -24.0 35.1 26.2 10.3 130 134 A A T <4 S+ 0 0 34 -3,-2.0 2,-0.4 1,-0.3 -2,-0.2 0.597 127.4 45.1-114.1 -20.6 35.0 29.8 11.6 131 135 A V S < S- 0 0 0 -4,-2.9 -1,-0.3 -58,-0.1 2,-0.1 -0.973 76.7-145.1-130.9 116.8 31.7 31.1 10.1 132 136 A S >> - 0 0 68 -2,-0.4 4,-1.0 -3,-0.1 3,-0.6 -0.411 23.5-118.6 -79.4 155.6 28.6 28.9 10.3 133 137 A K T 34 S+ 0 0 148 1,-0.3 3,-0.4 2,-0.2 4,-0.2 0.854 116.0 59.5 -59.6 -33.4 25.9 28.8 7.6 134 138 A G T >4 S+ 0 0 57 1,-0.2 3,-0.9 2,-0.2 -1,-0.3 0.845 96.3 59.3 -64.9 -34.6 23.6 30.1 10.3 135 139 A E T <4 S+ 0 0 66 -3,-0.6 -1,-0.2 1,-0.2 -2,-0.2 0.843 115.6 34.3 -65.0 -32.3 25.6 33.2 10.8 136 140 A V T 3< S+ 0 0 12 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.243 92.6 121.3-106.1 12.7 25.2 34.3 7.2 137 141 A A S < S+ 0 0 45 -3,-0.9 63,-0.1 -4,-0.2 -3,-0.0 -0.520 79.6 6.1 -78.9 144.2 21.7 32.9 6.7 138 142 A Q S S- 0 0 161 -2,-0.2 62,-0.5 1,-0.1 -1,-0.2 0.907 88.9-165.9 51.8 48.1 18.9 35.2 5.7 139 143 A P E -e 200 0B 14 0, 0.0 2,-0.3 0, 0.0 62,-0.2 -0.333 5.3-164.7 -66.9 145.9 21.3 38.1 5.2 140 144 A K E -e 201 0B 36 60,-2.3 62,-2.8 59,-0.0 63,-1.2 -0.936 6.7-141.6-130.2 153.8 19.9 41.6 4.9 141 145 A A E -ef 203 173B 0 31,-2.3 33,-3.4 -2,-0.3 2,-0.5 -0.811 0.6-150.0-116.0 156.0 21.3 44.8 3.7 142 146 A V E -ef 204 174B 6 61,-2.2 63,-3.2 -2,-0.3 2,-0.6 -0.995 10.7-167.4-125.6 122.8 21.0 48.4 4.8 143 147 A Y E -ef 205 175B 0 31,-3.9 33,-2.5 -2,-0.5 2,-1.1 -0.913 5.1-163.3-116.1 103.8 21.3 51.2 2.2 144 148 A I E -ef 206 176B 0 61,-3.1 63,-2.3 -2,-0.6 2,-0.8 -0.776 13.9-159.7 -89.0 101.3 21.6 54.7 3.7 145 149 A D E +ef 207 177B 8 31,-1.6 33,-2.2 -2,-1.1 63,-0.2 -0.746 23.6 165.9 -89.3 106.2 20.8 56.8 0.6 146 150 A T S S+ 0 0 9 61,-2.9 62,-0.3 -2,-0.8 -1,-0.2 0.594 77.5 42.6 -95.4 -14.7 22.2 60.3 1.1 147 151 A E S S- 0 0 72 60,-1.1 61,-0.1 64,-0.0 -1,-0.1 0.413 104.0-118.3-113.0 -0.2 21.9 61.4 -2.6 148 152 A G S S+ 0 0 18 59,-0.3 29,-0.1 30,-0.1 -3,-0.0 0.729 77.8 122.5 70.0 23.7 18.5 60.0 -3.4 149 153 A T + 0 0 44 58,-0.2 2,-0.3 2,-0.0 -1,-0.1 0.184 25.4 128.2-103.7 17.4 19.9 57.7 -6.1 150 154 A F - 0 0 27 57,-0.1 25,-0.0 -7,-0.1 -42,-0.0 -0.579 40.8-166.8 -70.5 134.6 18.6 54.4 -4.8 151 155 A R >> - 0 0 117 -2,-0.3 4,-1.6 1,-0.1 3,-0.7 -0.898 23.3-168.1-132.6 106.2 16.8 52.7 -7.7 152 156 A P H 3> S+ 0 0 59 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.853 92.4 61.9 -56.6 -34.9 14.6 49.7 -7.2 153 157 A E H 3> S+ 0 0 128 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.889 103.1 48.5 -57.9 -42.1 14.6 49.3 -11.0 154 158 A R H <> S+ 0 0 32 -3,-0.7 4,-2.7 2,-0.2 5,-0.2 0.868 109.2 52.6 -68.2 -36.6 18.3 48.7 -11.0 155 159 A I H X S+ 0 0 0 -4,-1.6 4,-2.9 2,-0.2 -2,-0.2 0.959 110.9 47.6 -61.8 -50.3 18.1 46.2 -8.2 156 160 A M H X S+ 0 0 75 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.901 113.6 47.5 -57.5 -45.1 15.5 44.2 -10.2 157 161 A Q H X S+ 0 0 78 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.932 113.8 45.6 -64.4 -48.1 17.6 44.3 -13.4 158 162 A M H X S+ 0 0 0 -4,-2.7 4,-1.3 1,-0.2 6,-0.2 0.915 113.5 51.3 -61.8 -41.7 20.8 43.3 -11.7 159 163 A A H X>S+ 0 0 0 -4,-2.9 5,-2.5 -5,-0.2 4,-0.5 0.933 107.8 52.8 -60.4 -47.1 19.0 40.5 -9.8 160 164 A E H ><5S+ 0 0 138 -4,-2.5 3,-1.5 1,-0.2 -2,-0.2 0.934 109.7 46.5 -54.6 -51.6 17.4 39.2 -13.1 161 165 A H H 3<5S+ 0 0 88 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.725 110.1 54.6 -67.2 -19.4 20.8 38.9 -14.9 162 166 A A H 3<5S- 0 0 39 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.498 116.6-114.4 -89.9 -4.9 22.3 37.2 -11.8 163 167 A G T <<5S+ 0 0 69 -3,-1.5 2,-0.2 -4,-0.5 -3,-0.2 0.610 77.1 127.9 81.5 12.5 19.5 34.6 -11.9 164 168 A I < - 0 0 27 -5,-2.5 2,-0.6 -6,-0.2 -1,-0.3 -0.603 69.6-101.8 -98.5 159.4 18.3 35.9 -8.6 165 169 A D > - 0 0 94 -2,-0.2 4,-1.2 -46,-0.2 3,-0.5 -0.741 25.8-152.5 -84.8 118.2 14.7 37.0 -7.7 166 170 A G H >> S+ 0 0 7 -2,-0.6 4,-2.0 1,-0.2 3,-0.6 0.904 92.6 53.7 -55.7 -48.5 14.5 40.8 -7.7 167 171 A Q H 3> S+ 0 0 90 1,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.833 103.5 58.7 -58.3 -32.7 11.7 41.1 -5.3 168 172 A T H 3> S+ 0 0 54 -3,-0.5 4,-1.1 2,-0.2 -1,-0.3 0.866 104.8 50.1 -65.2 -36.6 13.7 39.0 -2.8 169 173 A V H X< S+ 0 0 0 -4,-1.2 3,-0.7 -3,-0.6 -28,-0.2 0.951 112.1 47.1 -67.0 -46.8 16.5 41.5 -2.9 170 174 A L H >< S+ 0 0 46 -4,-2.0 3,-1.2 1,-0.2 -2,-0.2 0.890 109.8 54.0 -61.1 -39.7 14.0 44.4 -2.2 171 175 A D H 3< S+ 0 0 101 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.738 114.6 41.2 -67.1 -23.1 12.4 42.4 0.6 172 176 A N T << S+ 0 0 30 -4,-1.1 -31,-2.3 -3,-0.7 2,-0.4 0.083 100.0 83.4-113.8 23.2 15.7 42.0 2.3 173 177 A T E < -f 141 0B 15 -3,-1.2 2,-0.5 -33,-0.2 -31,-0.2 -0.989 61.7-155.4-128.7 120.4 17.2 45.4 1.7 174 178 A F E -f 142 0B 67 -33,-3.4 -31,-3.9 -2,-0.4 2,-0.4 -0.846 11.3-164.8 -95.8 129.3 16.4 48.3 4.1 175 179 A V E -f 143 0B 60 -2,-0.5 2,-0.5 -33,-0.2 -31,-0.2 -0.954 6.8-172.5-117.0 132.9 16.8 51.7 2.5 176 180 A A E -f 144 0B 19 -33,-2.5 -31,-1.6 -2,-0.4 2,-0.7 -0.971 15.8-145.9-126.5 115.1 16.9 54.9 4.6 177 181 A R E -f 145 0B 90 -2,-0.5 2,-0.5 -33,-0.2 -31,-0.2 -0.725 16.9-165.5 -84.1 112.7 16.8 58.2 2.7 178 182 A A - 0 0 0 -33,-2.2 -30,-0.1 -2,-0.7 3,-0.1 -0.862 14.1-172.5-100.5 130.0 18.9 60.7 4.6 179 183 A Y S S+ 0 0 158 -2,-0.5 2,-0.3 1,-0.1 -1,-0.1 0.502 71.7 7.7 -98.6 -6.8 18.6 64.4 3.7 180 184 A N S > S- 0 0 52 1,-0.0 4,-2.1 35,-0.0 5,-0.1 -0.947 87.6 -87.5-160.2 175.0 21.5 65.7 5.9 181 185 A S H > S+ 0 0 0 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.809 119.8 59.0 -64.2 -31.0 24.4 64.4 8.0 182 186 A D H > S+ 0 0 98 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.941 110.2 41.1 -64.1 -47.1 22.2 64.2 11.2 183 187 A M H > S+ 0 0 62 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.903 114.0 54.7 -66.1 -41.2 19.8 61.7 9.6 184 188 A Q H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.945 112.3 42.2 -56.4 -51.1 22.7 59.9 8.0 185 189 A M H X S+ 0 0 10 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.896 114.4 50.7 -65.8 -40.7 24.4 59.4 11.3 186 190 A L H X S+ 0 0 72 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.931 108.0 51.9 -64.1 -46.4 21.3 58.5 13.2 187 191 A F H < S+ 0 0 62 -4,-2.9 4,-0.4 1,-0.2 3,-0.3 0.934 110.7 49.3 -54.9 -46.3 20.2 55.9 10.6 188 192 A A H >< S+ 0 0 0 -4,-1.9 3,-1.3 1,-0.2 4,-0.3 0.915 110.8 49.5 -59.8 -43.7 23.7 54.3 10.9 189 193 A E H >< S+ 0 0 88 -4,-2.2 3,-0.6 1,-0.2 -1,-0.2 0.779 107.7 56.6 -66.5 -25.9 23.4 54.3 14.7 190 194 A K T >X S+ 0 0 98 -4,-1.9 4,-1.1 -3,-0.3 3,-0.8 0.444 77.0 91.0 -87.2 0.2 20.0 52.7 14.5 191 195 A I H <> S+ 0 0 3 -3,-1.3 4,-1.9 -4,-0.4 3,-0.3 0.858 79.2 65.1 -63.0 -30.4 21.1 49.7 12.5 192 196 A E H <> S+ 0 0 53 -3,-0.6 4,-2.6 -4,-0.3 -1,-0.3 0.861 96.3 56.4 -57.5 -37.3 21.6 48.0 15.9 193 197 A D H <> S+ 0 0 71 -3,-0.8 4,-1.7 2,-0.2 -1,-0.2 0.898 104.0 51.7 -62.7 -41.4 17.8 48.2 16.4 194 198 A L H <>S+ 0 0 35 -4,-1.1 5,-2.2 -3,-0.3 -1,-0.2 0.907 110.4 49.8 -61.3 -41.0 17.2 46.3 13.1 195 199 A I H ><5S+ 0 0 45 -4,-1.9 3,-2.2 1,-0.2 -2,-0.2 0.951 109.4 50.4 -60.9 -51.2 19.6 43.6 14.4 196 200 A Q H 3<5S+ 0 0 101 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.791 103.4 61.2 -57.7 -30.5 17.8 43.4 17.7 197 201 A E T 3<5S- 0 0 136 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.406 130.0 -93.2 -79.4 3.3 14.5 43.1 15.9 198 202 A G T < 5S+ 0 0 66 -3,-2.2 2,-0.6 1,-0.3 -3,-0.2 0.509 80.6 137.5 100.8 5.6 15.8 39.9 14.3 199 203 A N < - 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