==== 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 14-NOV-05 2F1J . 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) . 14258.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 228 76.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 11.0 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 . 39 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 31.1 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 3 0 1 1 0 2 0 0 1 0 1 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 . 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 41 0, 0.0 3,-2.0 0, 0.0 6,-0.2 0.000 360.0 360.0 360.0 -27.6 22.0 38.0 29.6 2 6 A T T 3 + 0 0 76 1,-0.3 4,-0.1 4,-0.1 5,-0.1 0.600 360.0 78.3 -67.3 -7.3 21.5 36.8 33.1 3 7 A D T 3 S+ 0 0 120 2,-0.1 -1,-0.3 3,-0.1 3,-0.1 0.817 78.0 96.6 -65.2 -30.3 24.4 34.5 32.4 4 8 A L S X S- 0 0 2 -3,-2.0 3,-2.5 1,-0.1 44,-0.1 -0.422 91.8-101.0 -68.1 129.5 26.5 37.6 33.0 5 9 A P T 3 S+ 0 0 55 0, 0.0 46,-0.2 0, 0.0 -1,-0.1 -0.196 107.5 10.5 -49.9 126.4 28.1 38.2 36.4 6 10 A G T 3 S+ 0 0 58 1,-0.2 2,-0.8 -4,-0.1 5,-0.1 0.227 98.0 121.2 87.3 -15.3 26.0 40.7 38.4 7 11 A V < + 0 0 9 -3,-2.5 -1,-0.2 -6,-0.2 -3,-0.0 -0.738 35.7 173.1 -90.0 109.9 23.2 40.6 35.9 8 12 A G > - 0 0 26 -2,-0.8 4,-2.0 -3,-0.1 5,-0.1 -0.314 50.8 -83.5 -98.3-172.4 19.9 39.6 37.4 9 13 A P H > S+ 0 0 97 0, 0.0 4,-1.4 0, 0.0 -7,-0.0 0.897 126.2 48.6 -61.6 -43.8 16.5 39.6 35.8 10 14 A S H > S+ 0 0 74 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.881 113.6 45.6 -66.4 -39.9 15.7 43.3 36.4 11 15 A T H > S+ 0 0 22 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.884 106.9 60.7 -69.8 -37.0 19.0 44.5 35.1 12 16 A A H X S+ 0 0 17 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.855 104.7 49.0 -57.2 -37.5 18.7 42.2 32.1 13 17 A E H X S+ 0 0 132 -4,-1.4 4,-2.1 2,-0.2 -1,-0.2 0.905 108.3 51.5 -70.2 -42.7 15.5 44.0 31.1 14 18 A K H X S+ 0 0 77 -4,-1.5 4,-0.6 1,-0.2 -2,-0.2 0.883 111.8 50.4 -60.3 -37.2 17.1 47.5 31.4 15 19 A L H ><>S+ 0 0 0 -4,-2.4 5,-1.5 1,-0.2 3,-0.5 0.892 108.1 50.0 -67.9 -42.2 19.9 46.1 29.2 16 20 A V H ><5S+ 0 0 66 -4,-2.0 3,-0.9 1,-0.2 -2,-0.2 0.859 111.1 49.9 -66.2 -35.3 17.5 44.8 26.5 17 21 A E H 3<5S+ 0 0 173 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.611 105.7 57.2 -78.2 -13.7 15.6 48.1 26.4 18 22 A A T <<5S- 0 0 40 -4,-0.6 -1,-0.2 -3,-0.5 -2,-0.2 0.350 123.3-102.3 -96.5 3.2 18.9 50.0 26.0 19 23 A G T < 5S+ 0 0 19 -3,-0.9 2,-1.3 -4,-0.2 3,-0.3 0.217 86.5 122.8 97.1 -15.1 19.8 48.0 22.9 20 24 A Y < + 0 0 24 -5,-1.5 -1,-0.2 -6,-0.2 -2,-0.2 -0.657 21.1 135.7 -85.7 92.3 22.3 45.7 24.6 21 25 A I + 0 0 63 -2,-1.3 2,-0.2 -5,-0.1 -1,-0.2 0.745 54.1 57.3-107.6 -32.4 21.0 42.2 23.9 22 26 A D S > S- 0 0 54 -3,-0.3 4,-0.9 1,-0.1 3,-0.3 -0.675 80.4-119.7-103.2 159.6 24.0 40.1 22.8 23 27 A F H >> S+ 0 0 54 -2,-0.2 4,-3.5 1,-0.2 3,-0.7 0.882 108.0 58.4 -62.0 -42.4 27.2 39.4 24.7 24 28 A M H 3> S+ 0 0 59 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.853 102.9 53.2 -59.0 -36.5 29.5 41.0 22.1 25 29 A K H 34 S+ 0 0 29 -3,-0.3 -1,-0.3 2,-0.2 -2,-0.2 0.786 116.0 40.3 -70.5 -25.3 27.8 44.3 22.3 26 30 A I H X< S+ 0 0 0 -4,-0.9 3,-1.1 -3,-0.7 -2,-0.2 0.879 112.8 53.3 -85.7 -43.7 28.3 44.3 26.1 27 31 A A H 3< S+ 0 0 3 -4,-3.5 -2,-0.2 1,-0.3 -3,-0.2 0.801 118.0 38.3 -60.0 -31.4 31.8 42.8 26.0 28 32 A T T 3< S+ 0 0 45 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.357 96.0 106.8-102.3 3.5 32.9 45.6 23.6 29 33 A A S < S- 0 0 1 -3,-1.1 2,-0.2 -5,-0.1 -3,-0.1 -0.497 72.4-116.5 -81.3 153.2 30.8 48.3 25.3 30 34 A T > - 0 0 79 -2,-0.2 4,-1.5 1,-0.1 3,-0.4 -0.606 21.4-116.9 -88.5 151.3 32.6 51.0 27.4 31 35 A V H > S+ 0 0 62 1,-0.2 4,-2.2 -2,-0.2 5,-0.2 0.817 116.7 60.9 -55.0 -27.2 31.9 51.2 31.1 32 36 A G H > S+ 0 0 33 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.932 98.1 51.3 -66.3 -49.4 30.5 54.6 30.2 33 37 A E H 4 S+ 0 0 50 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.914 116.4 41.7 -54.2 -47.6 27.8 53.5 27.8 34 38 A L H >< S+ 0 0 0 -4,-1.5 3,-2.6 1,-0.2 4,-0.3 0.885 107.1 57.2 -70.3 -44.0 26.4 51.1 30.4 35 39 A T H >< S+ 0 0 40 -4,-2.2 3,-1.0 1,-0.3 5,-0.3 0.806 102.7 60.3 -58.2 -26.7 26.7 53.3 33.5 36 40 A D T 3< S+ 0 0 129 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.539 79.6 86.6 -77.2 -7.9 24.5 55.7 31.5 37 41 A I T < S- 0 0 33 -3,-2.6 -1,-0.2 3,-0.2 -2,-0.2 0.696 96.4-131.2 -66.2 -16.9 21.8 53.0 31.4 38 42 A E S < S+ 0 0 154 -3,-1.0 -2,-0.1 2,-0.4 3,-0.1 0.812 90.4 44.9 65.9 113.5 20.6 54.3 34.7 39 43 A G S S+ 0 0 49 -4,-0.2 2,-0.6 1,-0.2 -1,-0.1 0.353 93.6 101.2 101.3 -2.1 20.0 51.7 37.4 40 44 A I - 0 0 8 -5,-0.3 -2,-0.4 -6,-0.2 -1,-0.2 -0.949 66.3-147.7-118.8 107.2 23.3 50.2 36.3 41 45 A S > - 0 0 64 -2,-0.6 4,-2.1 1,-0.1 5,-0.1 -0.157 24.7-114.7 -67.6 166.9 26.2 51.1 38.6 42 46 A E H > S+ 0 0 154 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.760 118.6 54.5 -74.3 -23.4 29.7 51.5 37.4 43 47 A K H > S+ 0 0 108 2,-0.2 4,-2.3 1,-0.2 3,-0.2 0.970 111.4 40.8 -72.0 -54.8 30.6 48.4 39.4 44 48 A A H > S+ 0 0 23 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.867 113.9 57.2 -60.1 -36.3 28.0 46.2 37.9 45 49 A A H X S+ 0 0 0 -4,-2.1 4,-1.2 1,-0.2 -1,-0.2 0.889 109.9 42.2 -62.9 -41.5 28.9 47.8 34.5 46 50 A A H X S+ 0 0 38 -4,-1.7 4,-2.4 -3,-0.2 -1,-0.2 0.840 113.8 52.6 -75.5 -32.5 32.5 46.8 34.8 47 51 A K H X S+ 0 0 76 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.936 110.8 45.1 -69.8 -45.6 31.7 43.3 36.1 48 52 A M H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 -1,-0.2 0.825 113.6 51.1 -68.4 -29.8 29.3 42.4 33.3 49 53 A I H X S+ 0 0 3 -4,-1.2 4,-2.2 -5,-0.3 -2,-0.2 0.951 112.2 45.5 -70.7 -48.1 31.7 43.8 30.7 50 54 A M H X S+ 0 0 119 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.933 115.2 49.8 -58.6 -43.5 34.5 41.7 32.1 51 55 A G H X S+ 0 0 7 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.944 109.5 48.9 -59.6 -51.6 32.1 38.8 32.2 52 56 A A H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.833 107.9 55.6 -58.9 -35.4 30.9 39.2 28.7 53 57 A R H <>S+ 0 0 122 -4,-2.2 5,-2.6 2,-0.2 -1,-0.2 0.951 110.6 44.9 -63.3 -46.4 34.5 39.4 27.4 54 58 A D H ><5S+ 0 0 125 -4,-2.0 3,-1.8 3,-0.2 -2,-0.2 0.933 111.2 52.4 -61.6 -48.7 35.3 36.1 29.1 55 59 A L H 3<5S+ 0 0 69 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.869 114.7 42.7 -55.8 -38.1 32.1 34.4 27.8 56 60 A C T 3<5S- 0 0 41 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.361 112.4-125.0 -90.0 5.6 33.1 35.6 24.3 57 61 A D T < 5 + 0 0 109 -3,-1.8 2,-0.2 1,-0.2 -3,-0.2 0.859 45.2 170.2 52.7 44.4 36.7 34.5 24.9 58 62 A L < + 0 0 70 -5,-2.6 2,-0.3 -6,-0.1 -1,-0.2 -0.604 29.1 85.5 -80.0 145.8 38.2 37.9 24.0 59 63 A G S S- 0 0 57 -2,-0.2 2,-0.2 2,-0.0 -5,-0.0 -0.976 80.4 -18.0 156.6-166.0 41.9 38.1 24.9 60 64 A F - 0 0 218 -2,-0.3 2,-0.3 2,-0.0 0, 0.0 -0.492 58.2-177.3 -71.8 137.6 45.4 37.3 23.6 61 65 A K + 0 0 74 -2,-0.2 2,-0.3 2,-0.0 -3,-0.0 -0.971 5.5 166.8-133.7 148.4 45.4 34.8 20.7 62 66 A S > + 0 0 87 -2,-0.3 3,-1.6 0, 0.0 4,-0.1 -0.958 41.1 10.9-154.2 171.9 48.4 33.4 18.9 63 67 A G T >> S- 0 0 52 -2,-0.3 3,-2.0 1,-0.3 4,-0.7 -0.241 125.7 -0.1 59.0-138.9 49.5 30.7 16.5 64 68 A I H 3> S+ 0 0 104 1,-0.3 4,-1.8 2,-0.2 3,-0.4 0.762 124.9 70.1 -54.9 -27.2 46.8 28.8 14.7 65 69 A D H <> S+ 0 0 74 -3,-1.6 4,-2.2 1,-0.2 -1,-0.3 0.800 91.9 59.0 -63.5 -26.6 44.1 30.8 16.5 66 70 A L H <> S+ 0 0 97 -3,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.905 105.6 48.3 -67.7 -39.1 45.1 33.9 14.4 67 71 A L H X S+ 0 0 118 -4,-0.7 4,-1.7 -3,-0.4 -2,-0.2 0.886 110.9 51.6 -66.4 -38.8 44.3 31.9 11.2 68 72 A K H X S+ 0 0 118 -4,-1.8 4,-0.6 2,-0.2 -2,-0.2 0.880 107.8 50.6 -67.1 -39.5 41.0 30.9 12.7 69 73 A Q H >< S+ 0 0 113 -4,-2.2 3,-1.2 1,-0.2 -1,-0.2 0.947 112.3 48.3 -61.6 -45.8 40.1 34.4 13.6 70 74 A R H >< S+ 0 0 102 -4,-2.1 3,-1.4 1,-0.2 -2,-0.2 0.789 101.9 64.6 -64.0 -30.4 40.9 35.4 10.0 71 75 A S H 3< S+ 0 0 40 -4,-1.7 56,-0.6 1,-0.3 -1,-0.2 0.671 82.9 75.5 -69.9 -17.0 38.9 32.5 8.6 72 76 A T T << S+ 0 0 35 -3,-1.2 2,-0.6 -4,-0.6 -1,-0.3 0.582 75.4 99.4 -70.6 -7.7 35.6 34.0 10.0 73 77 A V < - 0 0 17 -3,-1.4 54,-0.2 -4,-0.1 2,-0.2 -0.725 57.5-169.7 -84.1 115.3 35.8 36.5 7.1 74 78 A W - 0 0 0 -2,-0.6 19,-2.1 52,-0.1 2,-0.4 -0.619 10.1-138.1 -99.3 164.4 33.6 35.6 4.2 75 79 A K E -AB 92 125A 44 50,-3.1 50,-3.2 -2,-0.2 2,-0.5 -0.978 2.9-143.9-132.8 141.3 33.6 37.2 0.8 76 80 A L E -AB 91 124A 0 15,-2.3 15,-2.7 -2,-0.4 48,-0.2 -0.843 24.0-126.9-101.2 128.7 31.1 38.4 -1.7 77 81 A S - 0 0 8 46,-2.5 13,-0.1 -2,-0.5 40,-0.1 -0.388 5.2-151.8 -70.0 150.7 31.8 38.1 -5.4 78 82 A T - 0 0 2 2,-0.4 220,-0.2 -2,-0.1 -1,-0.1 0.429 41.8-114.1-101.3 -1.6 31.4 41.3 -7.5 79 83 A S S S+ 0 0 33 1,-0.2 2,-0.5 44,-0.1 221,-0.4 0.410 91.1 103.2 80.5 -0.2 30.6 39.2 -10.7 80 84 A S > - 0 0 0 219,-0.2 4,-2.7 1,-0.2 -2,-0.4 -0.969 60.5-157.3-114.2 122.0 33.8 40.4 -12.2 81 85 A S H > S+ 0 0 82 -2,-0.5 4,-2.5 219,-0.2 5,-0.2 0.945 95.1 51.2 -61.1 -48.7 36.7 37.9 -12.2 82 86 A E H > S+ 0 0 93 208,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.901 113.6 44.3 -53.6 -48.3 39.3 40.6 -12.5 83 87 A L H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.949 111.5 50.6 -65.9 -51.8 37.9 42.5 -9.6 84 88 A D H <>S+ 0 0 19 -4,-2.7 5,-3.3 1,-0.2 4,-0.3 0.902 111.3 51.3 -52.2 -43.0 37.3 39.5 -7.3 85 89 A S H ><5S+ 0 0 91 -4,-2.5 3,-1.9 1,-0.2 -1,-0.2 0.950 109.0 48.4 -60.0 -51.0 40.9 38.5 -8.0 86 90 A V H 3<5S+ 0 0 19 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.739 108.4 56.6 -61.4 -24.2 42.2 42.0 -7.1 87 91 A L T 3<5S- 0 0 1 -4,-1.7 3,-0.4 -3,-0.2 -1,-0.3 0.505 119.5-112.3 -84.4 -6.8 40.1 41.8 -3.9 88 92 A G T < 5S- 0 0 31 -3,-1.9 -3,-0.2 -4,-0.3 -2,-0.1 0.805 91.3 -20.6 78.6 27.9 41.9 38.6 -3.0 89 93 A G S -A 75 0A 3 -17,-0.2 3,-0.6 156,-0.1 156,-0.5 -0.613 8.9-140.0 -88.4 137.8 35.3 41.2 2.6 93 97 A S B 3 S+C 247 0B 0 -19,-2.1 154,-0.3 -2,-0.3 149,-0.1 -0.448 89.6 39.5 -81.0 162.7 33.0 41.0 5.6 94 98 A Q T 3 S+ 0 0 32 152,-1.9 2,-0.3 147,-0.5 -1,-0.2 0.741 110.8 75.3 67.9 22.3 34.2 42.7 8.8 95 99 A S E < S-d 247 0B 19 -3,-0.6 153,-1.5 151,-0.6 2,-0.5 -0.985 78.3-117.3-157.7 159.3 35.7 45.6 6.7 96 100 A V E -d 248 0B 0 -2,-0.3 166,-2.2 163,-0.2 165,-0.7 -0.901 23.7-163.5-105.7 127.2 34.6 48.6 4.8 97 101 A T E -de 249 262B 0 151,-2.5 153,-2.1 -2,-0.5 2,-0.5 -0.954 6.5-159.3-112.5 125.4 35.3 48.8 1.1 98 102 A E E -de 250 263B 2 164,-2.8 166,-3.0 -2,-0.5 2,-0.6 -0.892 8.5-165.5-109.2 131.9 35.2 52.1 -0.6 99 103 A F E +de 251 264B 0 151,-2.1 153,-2.0 -2,-0.5 2,-0.3 -0.966 17.2 177.9-114.5 114.7 34.7 52.7 -4.3 100 104 A A E +de 252 265B 2 164,-2.5 166,-3.3 -2,-0.6 2,-0.3 -0.856 17.2 116.7-115.4 153.1 35.5 56.3 -5.4 101 105 A G E -de 253 266B 0 151,-1.8 153,-1.8 -2,-0.3 166,-0.2 -0.948 58.7 -54.1 168.1 174.4 35.5 57.7 -8.8 102 106 A V S > S- 0 0 48 164,-0.7 3,-2.1 -2,-0.3 5,-0.3 -0.186 71.2 -77.4 -69.3 163.8 33.9 60.2 -11.2 103 107 A F T 3 S+ 0 0 165 1,-0.3 -1,-0.2 2,-0.1 150,-0.0 -0.418 122.0 23.4 -62.3 131.8 30.2 60.5 -11.9 104 108 A G T 3 S+ 0 0 33 -3,-0.1 -1,-0.3 -2,-0.1 -2,-0.1 0.384 84.4 117.3 93.7 -3.3 29.3 57.6 -14.2 105 109 A S S < S- 0 0 0 -3,-2.1 -2,-0.1 161,-0.1 162,-0.1 0.696 91.9 -97.5 -70.9 -19.5 32.2 55.4 -13.3 106 110 A G S > S+ 0 0 6 -4,-0.2 4,-2.4 160,-0.1 5,-0.2 0.560 78.4 134.8 116.5 12.0 29.9 52.7 -11.9 107 111 A K H > S+ 0 0 11 -5,-0.3 4,-1.9 1,-0.2 5,-0.1 0.959 81.3 42.1 -55.8 -56.2 29.8 53.2 -8.1 108 112 A T H > S+ 0 0 28 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.866 111.1 58.4 -60.6 -36.3 26.0 52.9 -7.8 109 113 A Q H > S+ 0 0 51 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.943 105.5 48.1 -58.4 -49.3 26.1 49.9 -10.3 110 114 A I H X S+ 0 0 2 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.890 109.4 54.6 -60.8 -38.2 28.5 48.0 -8.1 111 115 A M H X S+ 0 0 0 -4,-1.9 4,-1.6 -5,-0.2 -1,-0.2 0.937 111.4 43.6 -61.0 -46.3 26.2 48.7 -5.1 112 116 A H H X S+ 0 0 1 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.937 111.9 53.4 -64.0 -46.8 23.2 47.3 -6.9 113 117 A Q H X S+ 0 0 4 -4,-2.9 4,-3.1 1,-0.2 -1,-0.2 0.880 106.6 53.0 -56.1 -40.6 25.1 44.3 -8.2 114 118 A S H X S+ 0 0 1 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.897 105.0 53.8 -64.4 -39.8 26.2 43.4 -4.7 115 119 A C H < S+ 0 0 0 -4,-1.6 4,-0.4 1,-0.2 -1,-0.2 0.878 113.7 44.2 -62.2 -34.6 22.7 43.5 -3.4 116 120 A V H >< S+ 0 0 0 -4,-1.7 3,-1.8 1,-0.2 -2,-0.2 0.948 110.6 51.9 -72.6 -51.7 21.8 41.0 -6.1 117 121 A N H >< S+ 0 0 0 -4,-3.1 3,-2.1 1,-0.3 6,-0.4 0.772 96.4 69.3 -57.6 -29.5 24.8 38.7 -5.6 118 122 A L T 3< S+ 0 0 1 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.828 97.1 54.3 -59.0 -30.3 24.1 38.5 -1.9 119 123 A Q T < S+ 0 0 31 -3,-1.8 -1,-0.3 -4,-0.4 -2,-0.2 0.370 90.2 82.5 -86.7 4.3 21.0 36.4 -3.0 120 124 A N X - 0 0 14 -3,-2.1 3,-3.6 1,-0.1 4,-0.2 -0.875 69.5-158.7-109.2 95.9 23.1 34.0 -5.0 121 125 A P G > S+ 0 0 104 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.771 90.2 61.4 -45.0 -31.9 24.4 31.5 -2.3 122 126 A E G 3 S+ 0 0 155 1,-0.3 -4,-0.1 -3,-0.1 -5,-0.0 0.595 93.8 65.9 -73.9 -9.0 27.3 30.6 -4.7 123 127 A F G < S+ 0 0 51 -3,-3.6 -46,-2.5 -6,-0.4 2,-0.7 0.356 82.2 83.4 -93.9 4.8 28.5 34.1 -4.6 124 128 A L E < -B 76 0A 10 -3,-1.3 2,-0.5 -48,-0.2 -48,-0.2 -0.895 67.3-161.5-110.3 100.7 29.4 34.0 -0.9 125 129 A F E +B 75 0A 89 -50,-3.2 -50,-3.1 -2,-0.7 2,-0.3 -0.723 26.6 145.1 -85.8 123.1 32.9 32.5 -0.5 126 130 A Y - 0 0 49 -2,-0.5 2,-0.8 -52,-0.2 -52,-0.1 -0.997 55.1-100.6-157.1 154.8 33.6 31.2 3.0 127 131 A D >> - 0 0 69 -56,-0.6 4,-2.9 -2,-0.3 3,-1.5 -0.687 28.3-148.4 -78.8 110.3 35.5 28.5 4.9 128 132 A E T 34 S+ 0 0 141 -2,-0.8 -1,-0.2 1,-0.3 5,-0.1 0.686 96.4 58.9 -52.9 -19.1 32.7 26.0 5.9 129 133 A E T 34 S+ 0 0 173 1,-0.1 -1,-0.3 3,-0.1 3,-0.1 0.810 115.5 29.7 -82.1 -32.7 34.8 25.4 9.1 130 134 A A T <4 S+ 0 0 35 -3,-1.5 2,-0.5 1,-0.2 -2,-0.2 0.716 125.3 45.1 -97.5 -27.8 34.8 28.9 10.4 131 135 A V S < S- 0 0 1 -4,-2.9 -1,-0.2 -60,-0.1 2,-0.1 -0.954 76.6-149.5-124.8 114.3 31.4 30.0 9.0 132 136 A S >> - 0 0 69 -2,-0.5 3,-1.2 -3,-0.1 4,-0.9 -0.413 27.4-111.8 -78.9 155.1 28.4 27.8 9.2 133 137 A K G >4 S+ 0 0 166 1,-0.3 3,-1.0 2,-0.2 4,-0.1 0.898 116.0 59.2 -49.9 -47.5 25.6 27.7 6.7 134 138 A G G >4 S+ 0 0 55 1,-0.2 3,-1.0 2,-0.2 -1,-0.3 0.789 96.1 61.6 -55.1 -32.0 23.2 29.2 9.2 135 139 A E G <4 S+ 0 0 68 -3,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.842 115.4 31.7 -66.1 -34.3 25.3 32.3 9.6 136 140 A V G << S+ 0 0 14 -3,-1.0 2,-0.4 -4,-0.9 -1,-0.3 0.111 94.3 125.2-108.4 19.8 24.9 33.3 6.0 137 141 A A S < S- 0 0 49 -3,-1.0 63,-0.1 1,-0.3 -3,-0.0 -0.652 80.5 -0.3 -84.5 133.1 21.4 31.8 5.7 138 142 A Q S S- 0 0 140 -2,-0.4 62,-0.5 1,-0.1 -1,-0.3 0.955 90.1-162.5 55.3 53.9 18.6 34.1 4.4 139 143 A P - 0 0 14 0, 0.0 2,-0.3 0, 0.0 62,-0.2 -0.338 6.0-161.1 -68.2 146.5 21.0 37.0 4.0 140 144 A K E -f 201 0B 19 60,-2.5 62,-2.7 -2,-0.0 63,-1.3 -0.957 4.8-144.8-130.9 150.3 19.6 40.5 3.8 141 145 A A E -fg 203 173B 0 31,-2.5 33,-3.2 -2,-0.3 2,-0.4 -0.819 1.2-152.1-113.6 153.8 21.0 43.8 2.5 142 146 A V E -fg 204 174B 6 61,-2.4 63,-2.6 -2,-0.3 2,-0.5 -0.995 9.9-165.7-124.0 130.2 20.5 47.3 3.7 143 147 A Y E -fg 205 175B 0 31,-3.6 33,-3.1 -2,-0.4 2,-1.1 -0.941 6.9-162.9-122.4 106.0 20.9 50.1 1.2 144 148 A I E -fg 206 176B 0 61,-3.2 63,-2.4 -2,-0.5 2,-0.8 -0.791 15.2-160.1 -91.9 98.9 21.2 53.6 2.5 145 149 A D E +fg 207 177B 8 31,-1.7 33,-2.3 -2,-1.1 63,-0.2 -0.746 22.5 166.2 -85.0 108.5 20.5 55.6 -0.6 146 150 A T S S+ 0 0 9 61,-3.0 62,-0.3 -2,-0.8 -1,-0.2 0.721 76.6 43.3 -96.0 -25.3 21.8 59.1 -0.1 147 151 A D S S- 0 0 64 60,-1.4 61,-0.1 64,-0.0 -1,-0.1 0.576 105.7-119.7 -96.5 -11.9 21.6 60.3 -3.7 148 152 A G S S+ 0 0 18 59,-0.4 29,-0.1 30,-0.1 -3,-0.0 0.786 76.8 123.7 77.2 29.2 18.1 58.9 -4.4 149 153 A T + 0 0 45 58,-0.3 2,-0.2 2,-0.0 -1,-0.0 0.189 23.3 130.9-108.0 17.2 19.4 56.7 -7.2 150 154 A F - 0 0 28 57,-0.1 25,-0.0 -7,-0.1 -42,-0.0 -0.519 38.8-166.4 -67.3 136.1 18.3 53.3 -6.0 151 155 A R >> - 0 0 116 -2,-0.2 4,-1.5 1,-0.1 3,-0.6 -0.850 20.5-168.3-133.3 101.0 16.6 51.6 -8.9 152 156 A P H 3> S+ 0 0 57 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.810 91.5 61.2 -53.5 -31.1 14.4 48.5 -8.4 153 157 A E H 3> S+ 0 0 124 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.945 103.1 49.0 -60.9 -48.4 14.3 48.0 -12.1 154 158 A R H <> S+ 0 0 34 -3,-0.6 4,-2.7 1,-0.2 5,-0.3 0.849 109.7 52.4 -61.4 -34.4 18.1 47.6 -12.2 155 159 A I H X S+ 0 0 0 -4,-1.5 4,-2.5 2,-0.2 -1,-0.2 0.958 111.0 47.4 -63.8 -49.2 17.9 45.1 -9.4 156 160 A M H X S+ 0 0 77 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.884 114.4 47.0 -57.9 -43.4 15.3 43.1 -11.3 157 161 A Q H X S+ 0 0 78 -4,-2.7 4,-2.1 2,-0.2 5,-0.2 0.960 112.9 45.9 -66.1 -53.9 17.4 43.2 -14.5 158 162 A M H X S+ 0 0 1 -4,-2.7 4,-0.8 1,-0.2 -2,-0.2 0.891 114.0 51.9 -56.7 -39.8 20.7 42.3 -12.9 159 163 A A H >X>S+ 0 0 0 -4,-2.5 5,-2.2 -5,-0.3 3,-0.9 0.937 105.9 53.9 -62.8 -47.3 18.9 39.5 -11.0 160 164 A E H ><5S+ 0 0 134 -4,-2.3 3,-1.7 1,-0.3 -2,-0.2 0.941 109.5 46.2 -52.7 -53.9 17.4 38.1 -14.2 161 165 A H H 3<5S+ 0 0 87 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.662 109.5 56.6 -64.9 -16.1 20.7 37.8 -16.0 162 166 A A H <<5S- 0 0 36 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.530 114.7-120.2 -90.2 -9.4 22.1 36.2 -12.8 163 167 A G T <<5S+ 0 0 63 -3,-1.7 2,-0.3 -4,-0.7 -3,-0.2 0.687 75.1 116.9 79.1 17.6 19.4 33.6 -13.1 164 168 A I S - 0 0 95 -2,-0.3 4,-1.2 1,-0.2 3,-0.4 -0.547 28.4-155.8 -73.2 116.5 14.5 35.9 -8.8 166 170 A G H > S+ 0 0 7 -2,-0.5 4,-1.9 1,-0.2 3,-0.4 0.870 94.0 54.1 -57.7 -40.5 14.5 39.7 -8.9 167 171 A Q H > S+ 0 0 90 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.847 102.8 58.7 -64.3 -32.6 11.5 40.0 -6.5 168 172 A T H > S+ 0 0 57 -3,-0.4 4,-1.1 2,-0.2 -1,-0.2 0.845 105.0 49.7 -64.6 -34.8 13.4 37.8 -4.0 169 173 A V H >< S+ 0 0 0 -4,-1.2 3,-0.5 -3,-0.4 -28,-0.2 0.945 111.6 48.3 -68.1 -47.4 16.3 40.4 -4.0 170 174 A L H >< S+ 0 0 42 -4,-1.9 3,-1.5 1,-0.2 -2,-0.2 0.897 108.7 54.4 -57.5 -43.6 13.8 43.2 -3.5 171 175 A D H 3< S+ 0 0 107 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.776 113.8 42.0 -64.3 -26.5 12.2 41.3 -0.6 172 176 A N T << S+ 0 0 22 -4,-1.1 -31,-2.5 -3,-0.5 2,-0.5 0.160 98.8 85.2-109.2 22.3 15.5 40.9 1.1 173 177 A T E < -g 141 0B 16 -3,-1.5 2,-0.5 -33,-0.2 -31,-0.2 -0.944 60.2-156.8-126.8 112.7 16.9 44.4 0.6 174 178 A F E -g 142 0B 70 -33,-3.2 -31,-3.6 -2,-0.5 2,-0.5 -0.750 12.7-162.5 -86.4 125.1 16.0 47.2 3.0 175 179 A V E -g 143 0B 65 -2,-0.5 2,-0.5 -33,-0.2 -31,-0.2 -0.919 7.0-171.1-112.1 133.9 16.3 50.6 1.4 176 180 A A E -g 144 0B 16 -33,-3.1 -31,-1.7 -2,-0.5 2,-0.7 -0.971 14.3-146.8-127.1 116.6 16.6 53.8 3.4 177 181 A R E -g 145 0B 87 -2,-0.5 2,-0.5 -33,-0.2 -31,-0.2 -0.737 17.6-168.4 -85.2 113.0 16.4 57.2 1.7 178 182 A A - 0 0 0 -33,-2.3 -30,-0.1 -2,-0.7 3,-0.1 -0.902 15.6-176.1-105.5 127.8 18.6 59.7 3.5 179 183 A Y S S+ 0 0 162 -2,-0.5 2,-0.3 1,-0.1 -1,-0.1 0.484 72.0 14.2 -99.6 -6.1 18.4 63.4 2.7 180 184 A N S > S- 0 0 46 1,-0.1 4,-2.3 35,-0.0 5,-0.1 -0.940 86.0 -93.9-155.8 174.3 21.2 64.5 5.0 181 185 A S H > S+ 0 0 0 -2,-0.3 4,-3.0 2,-0.2 5,-0.2 0.824 118.9 59.3 -66.4 -31.4 24.1 63.2 7.1 182 186 A D H > S+ 0 0 94 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.961 110.8 39.5 -62.1 -51.4 21.9 63.0 10.2 183 187 A M H > S+ 0 0 60 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.918 115.3 54.5 -62.9 -44.4 19.5 60.6 8.6 184 188 A Q H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.928 114.0 40.2 -55.3 -48.5 22.4 58.8 6.9 185 189 A M H X S+ 0 0 11 -4,-3.0 4,-2.0 2,-0.2 -2,-0.2 0.934 115.8 50.0 -68.7 -45.6 24.1 58.3 10.2 186 190 A L H X S+ 0 0 79 -4,-3.0 4,-2.6 -5,-0.2 5,-0.2 0.945 109.3 51.2 -57.9 -51.5 21.0 57.4 12.2 187 191 A F H X S+ 0 0 54 -4,-3.2 4,-0.6 1,-0.2 -1,-0.2 0.909 108.1 54.1 -51.9 -44.2 19.9 54.9 9.6 188 192 A A H >< S+ 0 0 0 -4,-1.7 3,-0.9 -5,-0.3 4,-0.3 0.907 110.6 45.4 -57.0 -43.6 23.3 53.3 9.8 189 193 A E H >< S+ 0 0 93 -4,-2.0 3,-1.2 1,-0.2 4,-0.3 0.845 104.9 62.1 -70.1 -33.3 22.9 53.0 13.6 190 194 A K H >X S+ 0 0 97 -4,-2.6 4,-1.1 1,-0.3 3,-0.9 0.584 79.5 87.1 -69.3 -9.4 19.4 51.6 13.2 191 195 A I H S+ 0 0 40 -3,-1.2 4,-2.7 -4,-0.3 -1,-0.3 0.859 99.0 57.9 -58.5 -33.1 21.3 46.9 14.7 193 197 A D H <> S+ 0 0 72 -3,-0.9 4,-1.6 -4,-0.3 -1,-0.2 0.883 103.3 50.6 -64.9 -38.8 17.6 47.1 15.2 194 198 A L H <>S+ 0 0 38 -4,-1.1 5,-2.4 -3,-0.4 -1,-0.2 0.893 112.0 48.0 -66.0 -38.8 16.9 45.2 12.0 195 199 A I H ><5S+ 0 0 43 -4,-1.8 3,-2.2 1,-0.2 -2,-0.2 0.939 109.7 51.9 -65.8 -45.8 19.3 42.5 13.2 196 200 A Q H 3<5S+ 0 0 96 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.821 102.8 60.8 -58.4 -32.2 17.7 42.4 16.6 197 201 A E T 3<5S- 0 0 136 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.378 131.2 -94.6 -78.0 6.0 14.3 42.0 14.7 198 202 A G T < 5S+ 0 0 64 -3,-2.2 2,-0.6 1,-0.3 -3,-0.2 0.446 79.6 141.9 97.1 0.0 15.7 38.7 13.3 199 203 A N < - 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