==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER RECOMBINATION 16-JAN-06 2FPK . COMPND 2 MOLECULE: DNA REPAIR AND RECOMBINATION PROTEIN RADA; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCOCCUS VOLTAE; . AUTHOR Y.WU,X.QIAN,Y.HE,I.A.MOYA,Y.LUO . 299 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14322.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 229 76.6 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 . 25 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 30.4 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 4 1 0 2 1 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 45 0, 0.0 3,-2.2 0, 0.0 6,-0.2 0.000 360.0 360.0 360.0 -34.8 22.3 38.2 29.7 2 6 A T T 3 + 0 0 82 1,-0.3 4,-0.1 4,-0.1 5,-0.1 0.618 360.0 75.9 -64.0 -8.6 22.0 36.8 33.3 3 7 A D T 3 S+ 0 0 123 2,-0.1 -1,-0.3 5,-0.1 3,-0.1 0.836 78.1 93.6 -67.4 -31.7 25.1 34.8 32.3 4 8 A L S X S- 0 0 2 -3,-2.2 3,-2.2 1,-0.1 44,-0.1 -0.424 95.0 -96.4 -68.0 131.8 27.1 38.0 32.7 5 9 A P T 3 S+ 0 0 52 0, 0.0 46,-0.2 0, 0.0 -1,-0.1 -0.189 108.1 7.1 -49.3 124.9 28.7 38.5 36.2 6 10 A G T 3 S+ 0 0 55 1,-0.2 2,-0.6 -4,-0.1 5,-0.1 0.116 96.8 126.0 88.3 -21.0 26.5 40.7 38.3 7 11 A V < + 0 0 10 -3,-2.2 -1,-0.2 -6,-0.2 0, 0.0 -0.609 32.6 171.3 -80.1 115.3 23.6 40.7 35.9 8 12 A G > - 0 0 22 -2,-0.6 4,-2.3 -3,-0.1 5,-0.2 -0.363 50.9 -79.1-106.1-170.5 20.3 39.7 37.4 9 13 A P H > S+ 0 0 104 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.897 127.3 45.4 -59.7 -45.5 16.8 39.7 36.0 10 14 A S H > S+ 0 0 75 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.897 114.4 47.5 -68.6 -40.6 16.1 43.4 36.6 11 15 A T H > S+ 0 0 23 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.904 109.4 54.9 -66.2 -39.9 19.5 44.6 35.2 12 16 A A H X S+ 0 0 15 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.889 105.8 52.6 -59.3 -40.4 19.0 42.3 32.2 13 17 A E H X S+ 0 0 138 -4,-1.7 4,-1.5 1,-0.2 -1,-0.2 0.871 108.9 49.4 -64.5 -37.2 15.7 44.0 31.5 14 18 A K H X S+ 0 0 75 -4,-1.5 4,-1.1 2,-0.2 -1,-0.2 0.854 112.3 48.5 -69.9 -36.2 17.3 47.5 31.6 15 19 A L H ><>S+ 0 0 0 -4,-2.1 5,-2.6 2,-0.2 3,-0.5 0.945 110.8 47.6 -69.5 -50.5 20.1 46.3 29.2 16 20 A V H ><5S+ 0 0 66 -4,-2.6 3,-0.8 1,-0.3 -1,-0.2 0.860 112.9 51.5 -59.2 -34.8 17.8 44.8 26.6 17 21 A E H 3<5S+ 0 0 167 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.770 107.8 51.8 -72.8 -27.8 15.6 47.9 26.8 18 22 A A T <<5S- 0 0 41 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.2 0.374 125.5-100.5 -89.9 3.0 18.7 50.1 26.2 19 23 A G T < 5S+ 0 0 18 -3,-0.8 2,-1.1 -4,-0.4 3,-0.3 0.442 87.3 123.5 93.7 0.4 19.7 48.1 23.1 20 24 A Y < + 0 0 26 -5,-2.6 -3,-0.1 1,-0.2 -1,-0.1 -0.624 20.6 129.2 -97.6 77.6 22.4 46.0 24.8 21 25 A I + 0 0 70 -2,-1.1 2,-0.3 -5,-0.2 -1,-0.2 0.638 54.9 73.4-100.3 -21.0 21.1 42.5 24.0 22 26 A D S > S- 0 0 70 -3,-0.3 4,-1.1 1,-0.1 5,-0.1 -0.725 73.1-136.7-100.6 146.6 24.4 41.1 22.6 23 27 A F H > S+ 0 0 50 -2,-0.3 4,-3.2 1,-0.2 3,-0.3 0.898 101.6 54.7 -66.8 -44.6 27.5 40.1 24.5 24 28 A M H > S+ 0 0 57 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.848 105.4 54.8 -59.8 -34.1 30.1 41.6 22.1 25 29 A K H 4 S+ 0 0 28 2,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.859 113.1 41.9 -68.0 -34.6 28.3 45.0 22.3 26 30 A I H >< S+ 0 0 0 -4,-1.1 3,-1.2 -3,-0.3 -2,-0.2 0.903 113.1 52.7 -76.2 -43.4 28.6 44.9 26.1 27 31 A A H 3< S+ 0 0 3 -4,-3.2 -2,-0.2 1,-0.3 -3,-0.2 0.823 115.8 41.0 -60.7 -32.8 32.2 43.5 26.0 28 32 A T T 3< S+ 0 0 48 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.352 96.6 105.3 -98.8 5.6 33.2 46.4 23.7 29 33 A A < - 0 0 2 -3,-1.2 2,-0.3 -5,-0.1 -3,-0.1 -0.407 68.7-123.2 -83.0 161.2 31.2 49.0 25.5 30 34 A T > - 0 0 79 -2,-0.1 4,-1.5 1,-0.1 3,-0.2 -0.739 25.5-112.4-101.8 153.8 32.7 51.7 27.8 31 35 A V H > S+ 0 0 62 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.842 117.6 60.9 -52.7 -32.3 31.7 52.1 31.4 32 36 A G H > S+ 0 0 32 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.959 98.8 50.6 -60.1 -56.1 30.2 55.4 30.3 33 37 A E H 4 S+ 0 0 47 1,-0.2 4,-0.2 -3,-0.2 -1,-0.2 0.867 117.1 42.9 -50.4 -41.9 27.7 54.0 27.8 34 38 A L H >< S+ 0 0 0 -4,-1.5 3,-1.4 1,-0.2 4,-0.3 0.848 108.5 54.5 -76.7 -37.6 26.5 51.6 30.4 35 39 A T H >< S+ 0 0 42 -4,-2.5 3,-1.4 1,-0.3 5,-0.2 0.780 98.6 67.0 -67.7 -22.9 26.4 54.0 33.4 36 40 A D T 3< S+ 0 0 132 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.717 82.9 76.2 -66.7 -20.8 24.2 56.2 31.2 37 41 A I T < S- 0 0 37 -3,-1.4 -1,-0.3 -4,-0.2 -2,-0.2 0.756 96.7-141.1 -62.3 -24.4 21.6 53.4 31.5 38 42 A E S < S+ 0 0 153 -3,-1.4 3,-0.1 2,-0.4 -2,-0.1 0.638 86.1 50.0 64.6 128.5 20.8 54.6 35.0 39 43 A G S S+ 0 0 52 1,-0.2 2,-0.8 -4,-0.1 -1,-0.1 0.017 93.6 97.4 97.2 -25.8 20.1 51.9 37.5 40 44 A I S S- 0 0 5 -6,-0.2 -2,-0.4 -5,-0.2 -1,-0.2 -0.861 70.2-152.7 -97.3 105.1 23.4 50.5 36.1 41 45 A S > - 0 0 59 -2,-0.8 4,-2.3 1,-0.1 5,-0.1 -0.259 26.4-115.5 -72.4 166.5 26.1 51.5 38.5 42 46 A E H > S+ 0 0 146 2,-0.2 4,-1.9 1,-0.2 -1,-0.1 0.707 118.6 59.0 -73.6 -19.1 29.7 52.0 37.2 43 47 A K H > S+ 0 0 127 2,-0.2 4,-1.8 1,-0.1 -1,-0.2 0.955 109.9 37.4 -72.5 -53.5 30.4 49.1 39.5 44 48 A A H > S+ 0 0 24 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.890 114.6 59.2 -65.1 -37.1 28.0 46.7 37.8 45 49 A A H X S+ 0 0 0 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.920 107.0 44.9 -57.3 -46.8 29.0 48.2 34.5 46 50 A A H X S+ 0 0 46 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.861 114.0 49.7 -67.1 -36.9 32.7 47.3 35.0 47 51 A K H X S+ 0 0 86 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.961 112.2 45.0 -69.0 -50.6 31.9 43.8 36.2 48 52 A M H X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.812 113.0 52.7 -64.5 -28.8 29.6 42.9 33.3 49 53 A I H X S+ 0 0 5 -4,-1.6 4,-2.4 -5,-0.3 -1,-0.2 0.945 111.2 45.6 -70.6 -47.0 32.0 44.4 30.8 50 54 A M H X S+ 0 0 120 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.918 114.7 49.1 -60.7 -42.6 34.9 42.3 32.2 51 55 A G H X S+ 0 0 6 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.835 110.2 50.0 -66.8 -34.1 32.6 39.3 32.2 52 56 A A H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.920 109.5 50.6 -70.7 -43.7 31.4 39.8 28.6 53 57 A R H <>S+ 0 0 127 -4,-2.4 5,-2.0 1,-0.2 -2,-0.2 0.943 113.8 46.3 -56.9 -47.8 35.0 40.2 27.3 54 58 A D H ><5S+ 0 0 121 -4,-2.1 3,-1.4 1,-0.2 -2,-0.2 0.907 110.7 50.9 -61.8 -46.7 35.9 37.0 29.1 55 59 A L H 3<5S+ 0 0 78 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.870 115.5 43.6 -60.6 -34.7 32.9 35.1 27.8 56 60 A C T 3<5S- 0 0 41 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.381 112.0-126.8 -90.2 3.8 33.8 36.3 24.3 57 61 A D T < 5 + 0 0 103 -3,-1.4 2,-0.8 1,-0.2 -3,-0.2 0.924 43.3 169.3 49.1 59.0 37.5 35.4 25.0 58 62 A L < + 0 0 81 -5,-2.0 -1,-0.2 -6,-0.1 -4,-0.1 -0.396 33.8 106.1 -96.3 55.7 38.8 38.9 24.0 59 63 A G S S- 0 0 53 -2,-0.8 2,-0.2 1,-0.2 -5,-0.0 -0.140 78.1 -39.7-111.5-151.7 42.4 38.5 25.2 60 64 A F - 0 0 216 -2,-0.1 2,-0.3 2,-0.0 -1,-0.2 -0.538 56.7-170.4 -76.5 142.1 45.8 38.0 23.7 61 65 A K + 0 0 80 -2,-0.2 2,-0.3 -3,-0.1 -3,-0.0 -0.982 9.6 165.6-133.5 145.1 46.0 35.6 20.7 62 66 A S > + 0 0 90 -2,-0.3 3,-1.4 0, 0.0 4,-0.1 -0.911 43.6 11.5-148.6 174.0 49.0 34.1 18.9 63 67 A G T >> S- 0 0 53 -2,-0.3 3,-1.9 1,-0.3 4,-0.6 -0.208 124.2 -1.7 59.3-136.9 50.0 31.4 16.5 64 68 A I H >> S+ 0 0 105 1,-0.3 4,-2.0 2,-0.2 3,-0.6 0.749 124.1 70.3 -61.2 -24.3 47.2 29.6 14.6 65 69 A D H <> S+ 0 0 82 -3,-1.4 4,-1.8 1,-0.2 -1,-0.3 0.758 91.5 60.7 -66.7 -20.2 44.6 31.6 16.5 66 70 A L H <> S+ 0 0 95 -3,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.858 105.9 46.3 -72.3 -34.3 45.6 34.6 14.4 67 71 A L H < S+ 0 0 114 -4,-1.8 3,-1.7 1,-0.2 4,-0.2 0.954 110.1 49.1 -61.3 -49.8 40.5 35.2 13.5 70 74 A R H >< S+ 0 0 105 -4,-1.7 3,-1.1 1,-0.3 -1,-0.2 0.761 102.7 66.1 -61.4 -24.0 41.3 36.3 10.0 71 75 A S T 3< S+ 0 0 34 -4,-1.4 56,-0.5 1,-0.2 -1,-0.3 0.568 81.2 74.2 -77.3 -9.2 39.2 33.4 8.6 72 76 A T T < S+ 0 0 35 -3,-1.7 2,-0.5 -4,-0.4 -1,-0.2 0.588 76.4 99.6 -78.6 -7.9 35.9 34.9 10.0 73 77 A V < - 0 0 16 -3,-1.1 2,-0.3 -4,-0.2 54,-0.2 -0.686 57.2-169.2 -82.4 122.4 36.2 37.4 7.1 74 78 A W - 0 0 0 -2,-0.5 19,-2.0 52,-0.1 2,-0.4 -0.772 11.2-137.1-107.3 156.9 34.0 36.5 4.2 75 79 A K E -AB 92 125A 43 50,-2.9 50,-3.3 -2,-0.3 2,-0.5 -0.947 1.0-141.9-125.2 139.9 34.1 38.2 0.8 76 80 A L E -AB 91 124A 0 15,-2.6 15,-3.3 -2,-0.4 48,-0.2 -0.818 23.7-125.0 -99.2 129.2 31.5 39.5 -1.7 77 81 A S - 0 0 5 46,-2.4 40,-0.1 -2,-0.5 13,-0.1 -0.375 7.3-155.3 -70.5 145.9 32.1 39.1 -5.4 78 82 A T - 0 0 2 2,-0.4 220,-0.1 -2,-0.1 -1,-0.1 0.470 41.8-115.9 -97.8 -5.0 31.9 42.2 -7.6 79 83 A S S S+ 0 0 30 1,-0.2 2,-0.5 44,-0.1 221,-0.3 0.383 89.1 105.4 81.9 -1.4 31.0 40.1 -10.7 80 84 A S > - 0 0 0 1,-0.2 4,-2.6 219,-0.1 -2,-0.4 -0.953 60.9-156.3-111.9 124.2 34.3 41.3 -12.2 81 85 A S H > S+ 0 0 86 -2,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.939 96.1 48.5 -62.2 -47.8 37.1 38.8 -12.3 82 86 A E H > S+ 0 0 90 208,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.892 114.1 45.9 -59.9 -43.0 39.8 41.5 -12.4 83 87 A L H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 6,-0.2 0.959 110.0 51.8 -67.3 -50.9 38.2 43.4 -9.5 84 88 A D H <>S+ 0 0 22 -4,-2.6 5,-3.1 1,-0.2 4,-0.3 0.879 112.3 49.5 -51.9 -39.4 37.7 40.4 -7.3 85 89 A S H ><5S+ 0 0 91 -4,-2.0 3,-1.7 1,-0.2 -1,-0.2 0.930 108.5 49.6 -66.3 -48.3 41.4 39.5 -7.9 86 90 A V H 3<5S+ 0 0 19 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.777 109.3 55.8 -61.6 -25.1 42.6 43.0 -7.0 87 91 A L T 3<5S- 0 0 2 -4,-2.0 3,-0.4 -5,-0.2 -1,-0.3 0.540 117.8-115.1 -82.9 -10.3 40.5 42.7 -3.9 88 92 A G T < 5S- 0 0 31 -3,-1.7 -3,-0.2 -4,-0.3 -2,-0.1 0.751 91.1 -19.7 80.2 23.7 42.3 39.5 -2.9 89 93 A G S -A 75 0A 5 -2,-0.3 3,-0.7 -17,-0.2 156,-0.6 -0.483 7.9-137.8 -80.4 136.8 35.7 42.1 2.7 93 97 A S B 3 S+C 247 0B 0 -19,-2.0 154,-0.3 -2,-0.2 149,-0.1 -0.448 91.9 39.1 -76.9 161.8 33.3 41.8 5.6 94 98 A Q T 3 S+ 0 0 35 152,-2.2 2,-0.3 147,-0.5 -1,-0.2 0.706 108.7 79.4 68.8 21.1 34.5 43.6 8.8 95 99 A S E < S-d 247 0B 16 -3,-0.7 153,-1.7 151,-0.7 2,-0.5 -0.984 75.4-123.1-153.6 158.1 35.9 46.5 6.7 96 100 A V E -d 248 0B 0 -2,-0.3 166,-1.7 163,-0.2 165,-0.7 -0.903 25.2-163.6-104.7 130.8 34.8 49.6 4.9 97 101 A T E -de 249 262B 0 151,-2.3 153,-2.4 -2,-0.5 2,-0.4 -0.980 5.4-154.4-118.7 126.3 35.7 49.8 1.3 98 102 A E E -de 250 263B 1 164,-3.2 166,-2.9 -2,-0.5 2,-0.6 -0.848 8.1-163.8-105.1 134.5 35.5 53.1 -0.5 99 103 A F E -de 251 264B 0 151,-2.6 153,-2.1 -2,-0.4 2,-0.3 -0.956 18.3-179.7-115.7 109.4 35.0 53.7 -4.2 100 104 A A E +de 252 265B 0 164,-2.8 166,-3.5 -2,-0.6 2,-0.3 -0.832 17.2 120.5-109.5 148.6 35.9 57.2 -5.2 101 105 A G E -de 253 266B 3 151,-2.1 153,-1.6 -2,-0.3 166,-0.1 -0.941 57.4 -68.3 171.5 168.5 35.7 58.7 -8.7 102 106 A V S > S- 0 0 65 164,-0.5 3,-1.8 -2,-0.3 5,-0.3 -0.175 72.0 -69.3 -70.1 169.1 34.3 61.4 -10.9 103 107 A F T 3 S+ 0 0 175 151,-0.3 -1,-0.2 1,-0.3 150,-0.0 -0.337 121.9 19.4 -61.1 138.4 30.6 61.5 -11.8 104 108 A G T 3 S+ 0 0 41 -3,-0.1 -1,-0.3 163,-0.0 -2,-0.1 0.395 85.1 119.1 84.2 -2.8 29.6 58.7 -14.1 105 109 A S S < S- 0 0 0 -3,-1.8 -2,-0.1 161,-0.1 164,-0.1 0.714 90.1 -96.4 -69.7 -19.9 32.6 56.5 -13.3 106 110 A G S > S+ 0 0 7 -4,-0.2 4,-2.2 160,-0.1 5,-0.2 0.588 79.4 132.5 118.5 13.6 30.3 53.7 -11.9 107 111 A K H > S+ 0 0 8 -5,-0.3 4,-1.6 1,-0.2 5,-0.1 0.926 81.1 44.4 -61.3 -47.5 30.2 54.1 -8.1 108 112 A T H > S+ 0 0 31 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.866 110.0 57.5 -67.1 -34.7 26.4 53.7 -7.9 109 113 A Q H > S+ 0 0 48 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.937 105.8 48.8 -61.3 -46.4 26.5 50.8 -10.3 110 114 A I H X S+ 0 0 1 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.877 109.6 53.1 -63.2 -35.0 28.9 48.9 -8.0 111 115 A M H X S+ 0 0 0 -4,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.948 112.0 44.6 -64.5 -46.9 26.6 49.6 -5.1 112 116 A H H X S+ 0 0 2 -4,-2.5 4,-1.6 1,-0.2 3,-0.4 0.942 112.1 51.5 -61.1 -48.7 23.6 48.2 -6.9 113 117 A Q H X S+ 0 0 4 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.869 107.4 54.9 -56.7 -38.2 25.5 45.2 -8.2 114 118 A S H X S+ 0 0 0 -4,-2.0 4,-1.4 -5,-0.2 -1,-0.2 0.862 104.4 52.2 -66.1 -36.1 26.6 44.4 -4.7 115 119 A C H < S+ 0 0 0 -4,-1.6 4,-0.3 -3,-0.4 -1,-0.2 0.858 113.5 46.0 -68.0 -31.9 23.0 44.4 -3.4 116 120 A V H >< S+ 0 0 0 -4,-1.6 3,-1.8 1,-0.2 4,-0.2 0.943 109.2 52.1 -73.2 -51.2 22.2 41.9 -6.2 117 121 A N H >< S+ 0 0 0 -4,-2.8 3,-1.6 1,-0.3 6,-0.3 0.755 95.3 71.0 -58.2 -27.8 25.3 39.6 -5.6 118 122 A L T 3< S+ 0 0 1 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.806 97.7 52.4 -58.7 -29.6 24.4 39.3 -1.9 119 123 A Q T < S+ 0 0 33 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.478 89.5 81.5 -87.4 -6.2 21.4 37.2 -3.0 120 124 A N S X S- 0 0 25 -3,-1.6 3,-3.2 -4,-0.2 4,-0.2 -0.862 71.1-157.4-100.6 97.8 23.5 34.8 -5.1 121 125 A P G > S+ 0 0 102 0, 0.0 3,-1.2 0, 0.0 -1,-0.2 0.738 89.5 62.4 -45.7 -30.7 24.8 32.4 -2.4 122 126 A E G 3 S+ 0 0 156 1,-0.2 -5,-0.0 -3,-0.1 -3,-0.0 0.484 92.4 67.2 -77.9 -1.0 27.7 31.4 -4.6 123 127 A F G < S+ 0 0 51 -3,-3.2 -46,-2.4 -6,-0.3 2,-0.7 0.392 80.7 83.5 -98.5 2.4 29.0 35.0 -4.6 124 128 A L E < -B 76 0A 10 -3,-1.2 2,-0.6 -48,-0.2 -48,-0.2 -0.924 69.2-157.7-106.5 108.9 29.9 35.0 -0.9 125 129 A F E +B 75 0A 85 -50,-3.3 -50,-2.9 -2,-0.7 2,-0.3 -0.783 29.4 142.5 -91.4 120.4 33.3 33.5 -0.5 126 130 A Y - 0 0 48 -2,-0.6 2,-0.8 -52,-0.2 -52,-0.1 -0.981 55.3-106.3-153.5 162.4 34.1 32.1 2.9 127 131 A D >> - 0 0 78 -56,-0.5 4,-2.8 -2,-0.3 3,-2.2 -0.836 25.8-152.5 -93.0 106.7 35.8 29.3 4.9 128 132 A E T 34 S+ 0 0 129 -2,-0.8 -1,-0.1 1,-0.3 5,-0.1 0.702 94.2 63.5 -53.3 -19.7 32.9 27.1 6.1 129 133 A E T 34 S+ 0 0 172 1,-0.2 -1,-0.3 3,-0.1 3,-0.1 0.802 117.0 26.1 -75.4 -29.0 35.2 26.1 9.0 130 134 A A T <4 S+ 0 0 33 -3,-2.2 2,-0.4 1,-0.3 -2,-0.2 0.655 129.0 42.3-105.4 -24.3 35.3 29.7 10.3 131 135 A V S < S- 0 0 0 -4,-2.8 -1,-0.3 -58,-0.1 2,-0.1 -0.976 77.3-146.8-129.8 118.2 31.9 30.9 8.9 132 136 A S >> - 0 0 65 -2,-0.4 4,-0.9 -3,-0.1 3,-0.7 -0.440 24.5-117.1 -82.1 156.3 28.8 28.7 9.1 133 137 A K G >4 S+ 0 0 151 1,-0.3 3,-0.8 2,-0.2 4,-0.4 0.875 115.9 60.9 -57.4 -38.6 26.0 28.7 6.5 134 138 A G G >4 S+ 0 0 59 1,-0.2 3,-0.9 2,-0.2 -1,-0.3 0.858 97.6 57.8 -58.0 -36.4 23.7 29.9 9.2 135 139 A E G <4 S+ 0 0 67 -3,-0.7 -1,-0.2 1,-0.2 -2,-0.2 0.809 116.1 33.8 -66.6 -29.8 25.8 33.0 9.6 136 140 A V G << S+ 0 0 14 -4,-0.9 -1,-0.2 -3,-0.8 2,-0.2 0.202 92.1 122.0-110.9 17.2 25.3 34.0 6.0 137 141 A A S < S+ 0 0 51 -3,-0.9 63,-0.1 -4,-0.4 -3,-0.0 -0.560 79.3 3.8 -83.0 142.9 21.8 32.7 5.4 138 142 A Q S S- 0 0 133 -2,-0.2 62,-0.6 1,-0.1 -1,-0.2 0.941 89.0-165.8 50.7 52.7 19.0 34.9 4.3 139 143 A P E -f 200 0B 15 0, 0.0 2,-0.3 0, 0.0 62,-0.2 -0.427 5.8-162.9 -71.9 144.3 21.4 37.9 4.0 140 144 A K E -f 201 0B 12 60,-2.6 62,-2.5 -2,-0.1 63,-1.3 -0.942 5.9-142.6-128.2 150.6 19.9 41.4 3.7 141 145 A A E -fg 203 173B 0 31,-2.3 33,-3.3 -2,-0.3 2,-0.5 -0.813 2.1-148.7-112.9 152.9 21.4 44.6 2.5 142 146 A V E -fg 204 174B 6 61,-2.7 63,-3.1 -2,-0.3 2,-0.6 -0.987 11.1-166.8-119.7 128.3 21.0 48.2 3.7 143 147 A Y E -fg 205 175B 0 31,-4.0 33,-2.9 -2,-0.5 2,-1.0 -0.927 5.5-164.2-119.3 106.0 21.3 51.0 1.2 144 148 A I E -fg 206 176B 0 61,-2.9 63,-2.5 -2,-0.6 2,-0.7 -0.814 15.6-157.6 -92.1 104.6 21.6 54.5 2.6 145 149 A D E +fg 207 177B 8 31,-2.0 33,-2.6 -2,-1.0 63,-0.2 -0.767 22.7 169.3 -90.1 110.9 20.8 56.6 -0.5 146 150 A T S S+ 0 0 7 61,-3.7 62,-0.3 -2,-0.7 -1,-0.1 0.658 78.5 37.9 -94.1 -19.9 22.2 60.1 -0.2 147 151 A E S S- 0 0 76 60,-1.0 61,-0.1 64,-0.0 -1,-0.1 0.641 104.0-115.7-106.0 -23.0 21.7 61.3 -3.8 148 152 A G S S+ 0 0 20 59,-0.3 29,-0.1 30,-0.1 -3,-0.0 0.676 78.8 123.7 90.8 20.9 18.3 59.7 -4.6 149 153 A T + 0 0 46 58,-0.2 2,-0.2 2,-0.1 -3,-0.0 0.300 24.7 127.1 -98.4 10.4 19.9 57.5 -7.3 150 154 A F - 0 0 28 57,-0.1 25,-0.0 1,-0.1 -5,-0.0 -0.523 43.0-164.6 -65.5 130.4 18.8 54.2 -6.0 151 155 A R >> - 0 0 120 -2,-0.2 4,-1.8 1,-0.1 3,-0.5 -0.896 20.2-169.7-125.9 104.4 17.0 52.5 -8.9 152 156 A P H 3> S+ 0 0 56 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.811 91.6 57.9 -59.0 -28.5 14.8 49.5 -8.3 153 157 A E H 3> S+ 0 0 123 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.884 104.9 50.0 -68.6 -39.0 14.6 48.9 -12.1 154 158 A R H <> S+ 0 0 35 -3,-0.5 4,-2.2 2,-0.2 5,-0.2 0.873 109.2 51.9 -67.0 -36.9 18.4 48.6 -12.3 155 159 A I H X S+ 0 0 1 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.955 111.1 47.4 -62.2 -49.7 18.4 46.1 -9.4 156 160 A M H X S+ 0 0 61 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.906 111.8 50.7 -56.3 -46.8 15.8 44.0 -11.2 157 161 A Q H X S+ 0 0 80 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.901 112.8 44.0 -60.3 -46.8 17.7 44.2 -14.5 158 162 A M H X S+ 0 0 0 -4,-2.2 4,-1.0 2,-0.2 -1,-0.2 0.917 114.2 51.8 -64.8 -45.1 21.0 43.1 -12.9 159 163 A A H ><>S+ 0 0 0 -4,-2.7 5,-2.5 -5,-0.2 3,-1.2 0.962 109.3 48.9 -56.0 -55.7 19.3 40.4 -11.0 160 164 A E H ><5S+ 0 0 110 -4,-2.9 3,-2.4 1,-0.3 -1,-0.2 0.923 108.3 52.4 -52.6 -51.0 17.5 38.9 -14.0 161 165 A H H 3<5S+ 0 0 87 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.725 109.2 51.7 -60.6 -19.7 20.7 38.8 -16.1 162 166 A A T <<5S- 0 0 44 -3,-1.2 -1,-0.3 -4,-1.0 -2,-0.2 0.367 121.9-108.8 -96.4 2.7 22.4 36.9 -13.3 163 167 A G T < 5S+ 0 0 70 -3,-2.4 2,-0.4 -4,-0.3 -3,-0.2 0.648 79.1 124.4 80.9 16.1 19.5 34.4 -13.2 164 168 A I S > - 0 0 100 -2,-0.4 4,-1.2 1,-0.2 3,-0.6 -0.408 26.7-149.9 -60.2 116.9 14.6 36.9 -9.1 166 170 A G H >> S+ 0 0 0 -2,-0.3 4,-1.8 1,-0.2 3,-0.8 0.907 95.7 53.3 -55.2 -46.6 14.6 40.7 -9.2 167 171 A Q H 3> S+ 0 0 86 1,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.792 101.7 60.9 -61.3 -29.0 11.8 41.0 -6.6 168 172 A T H <> S+ 0 0 57 -3,-0.6 4,-0.9 2,-0.2 -1,-0.3 0.851 103.7 48.9 -68.2 -33.5 13.8 38.8 -4.2 169 173 A V H X< S+ 0 0 0 -4,-1.2 3,-0.7 -3,-0.8 -28,-0.2 0.949 113.2 48.0 -69.7 -44.3 16.7 41.3 -4.2 170 174 A L H >< S+ 0 0 42 -4,-1.8 3,-1.6 1,-0.2 -2,-0.2 0.916 108.1 54.7 -58.8 -46.0 14.1 44.1 -3.5 171 175 A D H 3< S+ 0 0 108 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.733 114.1 41.7 -60.9 -24.9 12.5 42.1 -0.7 172 176 A N T << S+ 0 0 27 -4,-0.9 -31,-2.3 -3,-0.7 2,-0.4 0.100 99.0 83.3-113.6 23.5 15.8 41.7 1.0 173 177 A T E < -g 141 0B 17 -3,-1.6 2,-0.5 -33,-0.2 -31,-0.2 -0.992 61.0-154.4-128.7 124.4 17.3 45.2 0.5 174 178 A F E -g 142 0B 67 -33,-3.3 -31,-4.0 -2,-0.4 2,-0.4 -0.864 11.5-163.0 -98.0 128.0 16.4 48.1 2.9 175 179 A V E -g 143 0B 65 -2,-0.5 2,-0.5 -33,-0.2 -31,-0.2 -0.927 6.6-171.7-114.1 134.6 16.7 51.6 1.3 176 180 A A E -g 144 0B 17 -33,-2.9 -31,-2.0 -2,-0.4 2,-0.7 -0.969 14.4-147.8-128.0 113.8 16.9 54.7 3.4 177 181 A R E -g 145 0B 84 -2,-0.5 2,-0.5 -33,-0.2 -31,-0.2 -0.737 17.6-168.5 -83.8 115.7 16.8 58.0 1.6 178 182 A A - 0 0 0 -33,-2.6 34,-0.1 -2,-0.7 -30,-0.1 -0.922 16.3-173.8-109.3 128.3 18.9 60.5 3.6 179 183 A Y S S+ 0 0 162 -2,-0.5 2,-0.3 1,-0.0 -1,-0.1 0.468 72.1 13.1 -97.7 -3.9 18.6 64.2 2.7 180 184 A N S > S- 0 0 50 1,-0.0 4,-2.2 35,-0.0 5,-0.1 -0.950 86.2 -93.0-158.3 173.7 21.4 65.4 5.0 181 185 A S H > S+ 0 0 0 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.812 118.7 60.1 -66.2 -30.3 24.3 64.1 7.1 182 186 A D H > S+ 0 0 98 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.940 111.0 39.0 -62.5 -47.8 22.2 63.9 10.2 183 187 A M H > S+ 0 0 64 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.904 114.1 55.8 -67.3 -43.2 19.7 61.5 8.6 184 188 A Q H X S+ 0 0 0 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.938 112.9 41.3 -54.7 -49.1 22.6 59.7 6.9 185 189 A M H X S+ 0 0 8 -4,-2.8 4,-1.8 2,-0.2 -2,-0.2 0.885 114.1 50.4 -68.6 -41.3 24.3 59.1 10.3 186 190 A L H X S+ 0 0 79 -4,-2.3 4,-2.3 -5,-0.2 3,-0.2 0.958 107.6 54.4 -62.6 -50.1 21.2 58.2 12.2 187 191 A F H < S+ 0 0 60 -4,-2.8 4,-0.3 1,-0.2 -1,-0.2 0.902 108.3 49.4 -48.2 -48.5 20.2 55.6 9.6 188 192 A A H >< S+ 0 0 1 -4,-1.6 3,-1.1 1,-0.2 4,-0.4 0.884 111.0 49.2 -60.8 -39.8 23.5 53.9 9.9 189 193 A E H >< S+ 0 0 83 -4,-1.8 3,-0.8 1,-0.2 -1,-0.2 0.823 106.6 57.8 -69.0 -30.4 23.3 53.8 13.7 190 194 A K T >X S+ 0 0 102 -4,-2.3 4,-1.1 1,-0.2 3,-0.9 0.486 81.8 85.2 -78.8 -2.8 19.8 52.4 13.3 191 195 A I H <> S+ 0 0 2 -3,-1.1 4,-1.8 -4,-0.3 3,-0.4 0.877 80.1 64.6 -64.9 -35.5 21.1 49.4 11.3 192 196 A E H <> S+ 0 0 54 -3,-0.8 4,-1.7 -4,-0.4 -1,-0.3 0.791 99.3 54.8 -56.2 -28.7 21.8 47.7 14.6 193 197 A D H <> S+ 0 0 71 -3,-0.9 4,-1.2 2,-0.2 -1,-0.3 0.875 101.2 55.0 -74.6 -38.7 18.0 47.8 15.1 194 198 A L H <>S+ 0 0 36 -4,-1.1 5,-2.0 -3,-0.4 -2,-0.2 0.889 110.7 48.2 -60.6 -36.8 17.2 46.0 11.9 195 199 A I H ><5S+ 0 0 40 -4,-1.8 3,-1.9 1,-0.2 -1,-0.2 0.890 106.3 54.5 -70.7 -40.4 19.5 43.3 13.1 196 200 A Q H 3<5S+ 0 0 91 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.731 102.7 60.9 -65.3 -20.0 17.9 43.1 16.5 197 201 A E T 3<5S- 0 0 139 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.253 130.8 -92.8 -91.0 12.2 14.6 42.6 14.6 198 202 A G T < 5S+ 0 0 61 -3,-1.9 2,-0.6 1,-0.3 -3,-0.2 0.549 80.5 139.3 91.8 8.0 16.0 39.4 13.0 199 203 A N < - 0 0 27 -5,-2.0 2,-2.0 -6,-0.2 -1,-0.3 -0.774 48.5-143.0 -91.0 121.1 17.4 40.8 9.8 200 204 A N E -f 139 0B 38 -2,-0.6 -60,-2.6 -62,-0.6 2,-0.6 -0.512 22.4-168.0 -82.0 75.2 20.7 39.3 8.8 201 205 A I E +f 140 0B 2 -2,-2.0 -60,-0.2 -62,-0.2 3,-0.1 -0.522 22.1 158.3 -67.9 112.9 22.3 42.5 7.5 202 206 A K E + 0 0 11 -62,-2.5 45,-2.3 -2,-0.6 2,-0.4 0.463 60.0 45.1-115.7 -6.6 25.4 41.4 5.6 203 207 A L E -fh 141 247B 0 -63,-1.3 -61,-2.7 43,-0.2 2,-0.4 -0.979 58.0-174.0-143.0 127.1 25.9 44.4 3.3 204 208 A V E -fh 142 248B 0 43,-2.7 45,-3.4 -2,-0.4 2,-0.4 -0.986 7.1-168.4-121.9 129.3 25.7 48.1 4.0 205 209 A V E -fh 143 249B 0 -63,-3.1 -61,-2.9 -2,-0.4 2,-0.5 -0.941 9.0-169.0-118.5 135.2 26.0 50.7 1.3 206 210 A I E -fh 144 250B 0 43,-2.2 45,-2.0 -2,-0.4 2,-0.5 -0.939 15.4-156.2-123.7 105.8 26.5 54.4 1.8 207 211 A D E S+f 145 0B 2 -63,-2.5 -61,-3.7 -2,-0.5 -60,-1.0 -0.878 80.7 7.0-128.3 100.6 26.0 56.3 -1.5 208 212 A S - 0 0 0 -2,-0.5 -1,-0.4 43,-0.3 4,-0.3 0.583 65.4-174.0-110.5 168.1 27.4 58.7 -1.1 209 213 A L S S+ 0 0 0 42,-2.7 4,-0.3 -3,-0.5 43,-0.2 0.852 88.3 28.5 -73.5 -37.7 29.6 59.1 2.0 210 214 A T S > S+ 0 0 0 41,-0.6 4,-2.2 2,-0.1 5,-0.2 0.609 89.5 90.0-106.6 -13.7 30.6 62.7 1.5 211 215 A S H > S+ 0 0 29 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.926 93.8 43.5 -50.1 -56.4 27.9 64.6 -0.5 212 216 A T H >> S+ 0 0 10 -4,-0.3 4,-2.3 1,-0.2 3,-0.7 0.963 112.8 51.1 -56.3 -56.0 25.9 65.8 2.5 213 217 A F H 3> S+ 0 0 0 -4,-0.3 4,-2.3 1,-0.3 -1,-0.2 0.860 111.4 49.6 -50.5 -39.8 28.9 66.8 4.7 214 218 A R H 3< S+ 0 0 79 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.824 112.0 46.3 -71.5 -31.9 30.3 68.8 1.8 215 219 A N H << S+ 0 0 129 -4,-1.8 3,-0.4 -3,-0.7 -2,-0.2 0.781 118.9 42.1 -80.1 -27.2 27.0 70.7 1.1 216 220 A E H < S+ 0 0 56 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.772 124.6 33.5 -88.4 -29.9 26.6 71.3 4.8 217 221 A Y S < S+ 0 0 22 -4,-2.3 5,-0.2 -5,-0.3 -1,-0.2 -0.339 71.2 138.0-123.0 48.7 30.1 72.3 5.7 218 222 A T + 0 0 95 -3,-0.4 -1,-0.1 2,-0.1 4,-0.1 0.943 45.1 96.3 -57.6 -51.1 31.2 74.0 2.5 219 223 A G > - 0 0 34 1,-0.2 3,-1.4 -3,-0.2 4,-0.1 -0.206 69.4-151.6 -46.0 108.3 33.0 76.7 4.3 220 224 A R T 3 S+ 0 0 229 1,-0.3 -1,-0.2 2,-0.2 -2,-0.1 0.166 89.8 75.4 -73.0 22.8 36.6 75.5 4.4 221 225 A G T 3 S+ 0 0 82 1,-0.1 -1,-0.3 2,-0.1 -2,-0.1 0.071 101.7 36.4-117.7 17.4 36.9 77.4 7.6 222 226 A K S X> S+ 0 0 88 -3,-1.4 4,-1.7 -5,-0.2 3,-0.8 0.101 75.6 123.0-150.4 10.8 34.9 74.8 9.5 223 227 A L H 3> S+ 0 0 62 1,-0.3 4,-3.0 2,-0.2 5,-0.1 0.717 70.8 64.3 -50.9 -24.4 36.3 71.8 7.7 224 228 A A H 3> S+ 0 0 59 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.958 100.2 47.7 -66.6 -51.3 37.4 70.6 11.1 225 229 A E H <> S+ 0 0 89 -3,-0.8 4,-2.3 2,-0.2 -2,-0.2 0.908 114.0 49.4 -54.8 -43.9 33.8 70.3 12.4 226 230 A R H X S+ 0 0 40 -4,-1.7 4,-3.0 1,-0.2 5,-0.3 0.973 109.8 49.3 -58.8 -57.1 33.0 68.4 9.2 227 231 A Q H X S+ 0 0 87 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.828 110.1 53.8 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