==== 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 2F1I . 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) . 14433.0 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 . 31 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 25 8.4 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 . 24 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 30.8 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 1 1 5 0 0 2 0 1 1 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 2 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 PARALLEL BRIDGES PER LADDER . 0 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 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 42 0, 0.0 3,-2.3 0, 0.0 6,-0.2 0.000 360.0 360.0 360.0 -35.8 22.2 37.9 29.8 2 6 A T T 3 + 0 0 79 1,-0.3 4,-0.1 4,-0.1 9,-0.0 0.600 360.0 79.8 -60.7 -7.4 21.8 37.0 33.5 3 7 A D T 3 S+ 0 0 123 2,-0.1 -1,-0.3 5,-0.1 3,-0.1 0.819 72.7 98.3 -66.5 -31.8 24.8 34.6 32.9 4 8 A L S X S- 0 0 2 -3,-2.3 3,-1.5 1,-0.1 44,-0.1 -0.305 95.5 -91.5 -61.0 136.2 27.0 37.7 33.2 5 9 A P T 3 S+ 0 0 51 0, 0.0 2,-0.2 0, 0.0 46,-0.2 -0.222 111.1 3.3 -49.1 128.1 28.7 38.2 36.6 6 10 A G T 3 S+ 0 0 57 1,-0.2 2,-0.3 -4,-0.1 5,-0.1 -0.000 97.3 125.5 84.9 -31.5 26.4 40.4 38.7 7 11 A V < + 0 0 9 -3,-1.5 -1,-0.2 -6,-0.2 0, 0.0 -0.494 34.7 173.1 -69.8 122.9 23.6 40.6 36.1 8 12 A G > - 0 0 20 -2,-0.3 4,-1.7 -3,-0.1 5,-0.1 -0.264 47.9 -77.6-110.8-161.5 20.2 39.6 37.4 9 13 A P H > S+ 0 0 104 0, 0.0 4,-1.4 0, 0.0 -7,-0.0 0.910 125.8 45.3 -70.8 -44.1 16.6 39.6 36.1 10 14 A S H >> S+ 0 0 78 2,-0.2 4,-1.5 1,-0.2 3,-0.8 0.977 114.9 46.8 -63.4 -55.9 15.9 43.3 36.6 11 15 A T H 3> S+ 0 0 26 1,-0.3 4,-2.6 2,-0.2 3,-0.4 0.901 105.7 60.5 -53.6 -43.6 19.2 44.5 35.2 12 16 A A H 3X S+ 0 0 18 -4,-1.7 4,-2.1 1,-0.3 -1,-0.3 0.892 103.5 51.8 -51.8 -41.2 18.7 42.1 32.2 13 17 A E H X S+ 0 0 79 -4,-1.5 4,-1.2 -3,-0.4 3,-0.7 0.977 111.0 48.5 -65.2 -54.4 17.3 47.3 31.5 15 19 A L H 3<>S+ 0 0 0 -4,-2.6 5,-1.4 1,-0.3 3,-0.4 0.844 109.2 52.0 -53.9 -41.7 20.2 46.2 29.2 16 20 A V H ><5S+ 0 0 69 -4,-2.1 3,-0.6 -5,-0.3 -1,-0.3 0.829 109.8 51.3 -66.7 -29.4 17.8 44.7 26.6 17 21 A E H <<5S+ 0 0 174 -4,-1.2 -1,-0.2 -3,-0.7 -2,-0.2 0.697 106.4 53.3 -79.5 -22.0 15.9 48.0 26.6 18 22 A A T 3<5S- 0 0 40 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.336 126.6 -96.7 -94.0 4.1 19.1 50.1 26.0 19 23 A G T < 5S+ 0 0 17 -3,-0.6 2,-1.3 -4,-0.2 3,-0.3 0.127 88.4 123.8 104.0 -21.5 20.1 48.0 23.0 20 24 A Y < + 0 0 22 -5,-1.4 -1,-0.2 1,-0.2 -2,-0.2 -0.617 20.1 139.4 -78.6 97.0 22.5 45.6 24.8 21 25 A I + 0 0 68 -2,-1.3 -1,-0.2 -5,-0.1 2,-0.2 0.767 58.0 47.2-106.4 -38.1 21.0 42.2 24.0 22 26 A D S S- 0 0 56 -3,-0.3 4,-0.5 1,-0.1 3,-0.2 -0.553 81.8-114.9-104.2 170.0 24.1 40.1 23.2 23 27 A F S >> S+ 0 0 51 1,-0.2 4,-3.5 -2,-0.2 3,-1.9 0.932 108.3 59.0 -68.4 -49.8 27.4 39.6 25.0 24 28 A M H 3> S+ 0 0 59 1,-0.3 4,-1.2 2,-0.2 -1,-0.2 0.771 102.8 54.3 -53.7 -29.6 29.7 41.1 22.4 25 29 A K H 34 S+ 0 0 24 -3,-0.2 -1,-0.3 2,-0.2 -2,-0.2 0.733 116.8 39.0 -77.0 -19.6 27.9 44.4 22.6 26 30 A I H X4 S+ 0 0 0 -3,-1.9 3,-0.9 -4,-0.5 -2,-0.2 0.812 112.8 53.4 -93.4 -38.9 28.5 44.3 26.4 27 31 A A H 3< S+ 0 0 2 -4,-3.5 -3,-0.2 1,-0.2 -2,-0.2 0.752 117.3 40.2 -68.0 -23.8 32.1 42.9 26.2 28 32 A T T 3< S+ 0 0 42 -4,-1.2 -1,-0.2 -5,-0.3 -2,-0.2 0.273 96.1 105.5-108.0 8.9 33.0 45.7 23.8 29 33 A A S < S- 0 0 4 -3,-0.9 2,-0.4 1,-0.1 -3,-0.1 -0.346 70.6-116.2 -83.0 168.3 31.1 48.5 25.6 30 34 A T > - 0 0 78 1,-0.1 4,-1.7 -2,-0.1 3,-0.3 -0.830 24.4-114.9-105.8 146.5 32.6 51.2 27.7 31 35 A V H > S+ 0 0 64 -2,-0.4 4,-1.2 1,-0.2 14,-0.1 0.701 117.9 57.0 -52.5 -15.9 31.9 51.5 31.4 32 36 A G H > S+ 0 0 31 2,-0.2 4,-2.3 3,-0.1 -1,-0.2 0.946 98.7 52.3 -80.9 -53.4 30.3 54.8 30.4 33 37 A E H 4 S+ 0 0 52 -3,-0.3 -2,-0.2 1,-0.2 -1,-0.1 0.919 115.8 44.6 -47.4 -49.0 27.7 53.6 27.9 34 38 A L H >< S+ 0 0 0 -4,-1.7 3,-1.0 1,-0.2 -1,-0.2 0.822 109.5 51.4 -68.0 -38.1 26.5 51.1 30.5 35 39 A T H >< S+ 0 0 41 -4,-1.2 3,-2.2 1,-0.3 5,-0.4 0.846 95.5 71.7 -70.4 -31.0 26.4 53.4 33.5 36 40 A D T 3< S+ 0 0 134 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.1 0.335 80.4 81.5 -65.8 13.0 24.4 55.9 31.5 37 41 A I T < S- 0 0 36 -3,-1.0 -1,-0.3 3,-0.4 -2,-0.2 0.677 97.0-130.2 -92.2 -18.7 21.6 53.3 31.9 38 42 A E S < S+ 0 0 165 -3,-2.2 3,-0.1 2,-0.4 -2,-0.1 0.824 93.0 40.0 68.6 109.7 20.7 54.4 35.4 39 43 A G S S+ 0 0 51 -4,-0.2 2,-1.0 1,-0.1 -1,-0.1 0.098 93.6 99.3 105.2 -18.1 20.4 51.5 37.9 40 44 A I - 0 0 4 -5,-0.4 -2,-0.4 -6,-0.2 -3,-0.4 -0.799 68.9-156.2-102.4 87.2 23.5 50.2 36.2 41 45 A S > - 0 0 52 -2,-1.0 4,-3.0 1,-0.1 5,-0.2 -0.170 29.2-112.2 -63.0 157.1 26.2 51.3 38.6 42 46 A E H > S+ 0 0 123 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.754 119.2 59.3 -59.7 -23.3 29.8 51.8 37.5 43 47 A K H > S+ 0 0 151 2,-0.2 4,-1.8 1,-0.2 3,-0.4 0.990 111.4 33.2 -68.3 -64.6 30.4 48.8 39.8 44 48 A A H > S+ 0 0 28 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.827 114.0 63.5 -62.4 -33.8 28.2 46.3 38.1 45 49 A A H X S+ 0 0 0 -4,-3.0 4,-1.1 1,-0.2 -1,-0.2 0.900 106.2 42.6 -59.8 -42.7 29.0 47.9 34.8 46 50 A A H X S+ 0 0 47 -4,-1.4 4,-2.7 -3,-0.4 -1,-0.2 0.890 114.4 52.1 -70.7 -38.7 32.7 47.0 35.1 47 51 A K H X S+ 0 0 108 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.938 109.6 46.2 -63.3 -51.2 31.9 43.5 36.4 48 52 A M H X S+ 0 0 1 -4,-2.9 4,-2.9 1,-0.2 -1,-0.2 0.787 114.6 50.5 -65.3 -25.3 29.5 42.5 33.6 49 53 A I H X S+ 0 0 5 -4,-1.1 4,-2.0 -5,-0.3 -2,-0.2 0.908 108.5 49.0 -78.7 -42.2 32.0 43.9 31.1 50 54 A M H X S+ 0 0 118 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.928 118.3 44.4 -60.3 -39.9 34.9 41.9 32.5 51 55 A G H X S+ 0 0 1 -4,-2.4 4,-2.5 2,-0.2 5,-0.3 0.957 108.8 51.5 -67.5 -56.6 32.6 38.9 32.4 52 56 A A H X S+ 0 0 0 -4,-2.9 4,-2.0 1,-0.2 -25,-0.2 0.833 109.8 54.1 -51.9 -33.9 31.1 39.4 28.9 53 57 A R H X>S+ 0 0 115 -4,-2.0 5,-1.4 2,-0.2 4,-0.7 0.980 108.7 47.8 -64.0 -53.2 34.7 39.7 27.7 54 58 A D H ><5S+ 0 0 104 -4,-1.8 3,-1.3 3,-0.2 -2,-0.2 0.927 111.3 48.7 -52.2 -56.0 35.6 36.4 29.3 55 59 A L H 3<5S+ 0 0 85 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.930 115.9 43.1 -51.9 -50.9 32.6 34.4 27.9 56 60 A C H 3<5S- 0 0 49 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.576 114.5-128.9 -72.4 -6.0 33.2 35.8 24.4 57 61 A D T <<5 + 0 0 113 -3,-1.3 2,-1.0 -4,-0.7 -3,-0.2 0.965 39.8 172.9 57.0 63.1 36.9 35.0 25.2 58 62 A L < + 0 0 81 -5,-1.4 -1,-0.2 -6,-0.0 2,-0.1 -0.645 33.1 111.9-100.2 74.4 38.5 38.4 24.2 59 63 A G S S- 0 0 51 -2,-1.0 2,-0.3 1,-0.1 -5,-0.0 -0.374 75.3 -49.0-123.0-155.9 42.0 37.9 25.3 60 64 A F - 0 0 221 -2,-0.1 2,-0.4 2,-0.0 -1,-0.1 -0.639 55.2-169.8 -80.7 138.7 45.5 37.5 23.8 61 65 A K + 0 0 88 -2,-0.3 2,-0.3 -3,-0.1 -3,-0.0 -0.969 9.4 167.4-129.9 145.2 45.6 35.0 20.9 62 66 A S > + 0 0 86 -2,-0.4 3,-1.7 4,-0.0 4,-0.1 -0.899 39.6 13.4-147.6 178.2 48.6 33.6 19.2 63 67 A G T > S- 0 0 55 -2,-0.3 3,-1.6 1,-0.3 4,-0.5 -0.205 124.3 -1.2 56.8-137.0 50.0 31.0 16.8 64 68 A I T >> S+ 0 0 128 1,-0.3 4,-1.2 2,-0.2 3,-0.6 0.687 123.3 72.0 -60.4 -20.2 47.4 29.1 14.9 65 69 A D H <> S+ 0 0 64 -3,-1.7 4,-2.0 1,-0.2 -1,-0.3 0.810 86.6 65.1 -67.9 -26.8 44.5 30.9 16.5 66 70 A L H <> S+ 0 0 91 -3,-1.6 4,-1.7 1,-0.2 -1,-0.2 0.851 101.3 49.3 -62.4 -34.8 45.4 34.0 14.6 67 71 A L H <> S+ 0 0 118 -3,-0.6 4,-1.0 -4,-0.5 -1,-0.2 0.869 106.3 56.7 -72.2 -36.2 44.4 32.2 11.3 68 72 A K H >< S+ 0 0 116 -4,-1.2 3,-0.6 1,-0.2 4,-0.4 0.901 106.8 49.5 -61.3 -40.7 41.2 31.1 12.9 69 73 A Q H >< S+ 0 0 78 -4,-2.0 3,-1.2 1,-0.2 -1,-0.2 0.922 109.3 51.4 -63.6 -43.9 40.3 34.7 13.6 70 74 A R H >< S+ 0 0 105 -4,-1.7 3,-0.6 1,-0.2 -1,-0.2 0.618 101.8 62.6 -69.1 -14.5 41.1 35.7 9.9 71 75 A S T << S+ 0 0 38 -4,-1.0 56,-0.5 -3,-0.6 -1,-0.2 0.559 81.2 77.9 -89.1 -9.6 38.9 32.9 8.6 72 76 A T T < S+ 0 0 36 -3,-1.2 2,-0.5 -4,-0.4 -1,-0.2 0.479 77.5 97.6 -75.7 -0.6 35.7 34.4 10.1 73 77 A V < - 0 0 16 -3,-0.6 2,-0.3 -4,-0.1 54,-0.3 -0.799 57.2-170.9 -93.1 123.7 35.9 36.8 7.2 74 78 A W - 0 0 0 -2,-0.5 19,-1.5 52,-0.1 2,-0.3 -0.799 10.3-140.3-110.6 156.7 33.7 36.0 4.2 75 79 A K E -AB 92 125A 43 50,-2.9 50,-2.5 -2,-0.3 2,-0.5 -0.832 1.4-139.7-121.3 157.0 33.8 37.7 0.8 76 80 A L E -AB 91 124A 0 15,-2.3 15,-2.7 -2,-0.3 48,-0.2 -0.951 21.7-125.4-117.9 128.6 31.3 38.9 -1.9 77 81 A S - 0 0 8 46,-2.5 13,-0.1 -2,-0.5 40,-0.1 -0.432 6.5-154.9 -68.8 139.2 31.9 38.5 -5.6 78 82 A T - 0 0 3 2,-0.4 220,-0.2 -2,-0.1 -1,-0.1 0.422 44.4-113.5 -93.1 0.2 31.6 41.8 -7.6 79 83 A S S S+ 0 0 30 1,-0.3 2,-0.4 44,-0.1 221,-0.4 0.432 89.2 104.1 79.8 2.3 30.7 39.7 -10.6 80 84 A S > - 0 0 1 1,-0.2 4,-1.7 219,-0.2 -2,-0.4 -0.913 62.3-151.4-112.1 140.7 34.0 40.8 -12.3 81 85 A S H > S+ 0 0 81 -2,-0.4 4,-2.3 2,-0.2 5,-0.2 0.984 98.0 44.8 -73.2 -59.2 36.9 38.5 -12.5 82 86 A E H > S+ 0 0 95 208,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.789 115.7 49.3 -52.9 -33.3 39.6 41.1 -12.5 83 87 A L H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.936 109.2 48.0 -76.3 -47.4 37.9 42.9 -9.7 84 88 A D H <>S+ 0 0 22 -4,-1.7 5,-3.4 2,-0.2 -2,-0.2 0.886 115.6 49.4 -58.3 -37.0 37.4 40.0 -7.3 85 89 A S H ><5S+ 0 0 89 -4,-2.3 3,-3.0 2,-0.2 -2,-0.2 0.973 109.6 46.8 -65.7 -57.6 41.0 39.2 -8.0 86 90 A V H 3<5S+ 0 0 21 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.827 109.7 59.1 -53.5 -31.0 42.3 42.6 -7.3 87 91 A L T 3<5S- 0 0 0 -4,-2.3 3,-0.5 -5,-0.1 -1,-0.3 0.564 118.2-116.2 -74.7 -9.5 40.1 42.4 -4.2 88 92 A G T < 5S- 0 0 29 -3,-3.0 -3,-0.2 1,-0.2 -2,-0.1 0.790 91.0 -20.8 76.5 28.0 42.0 39.3 -3.1 89 93 A G S -A 75 0A 2 -17,-0.2 3,-0.6 -2,-0.2 156,-0.5 -0.488 4.7-135.0 -84.4 147.3 35.4 41.6 2.5 93 97 A S T 3 S+ 0 0 0 -19,-1.5 154,-0.2 1,-0.2 3,-0.1 -0.512 90.3 37.1 -89.8 162.6 33.2 41.4 5.6 94 98 A Q T 3 S+ 0 0 31 152,-1.0 2,-0.3 147,-0.7 -1,-0.2 0.619 111.4 79.7 68.5 13.6 34.4 43.0 8.9 95 99 A S S < S- 0 0 19 -3,-0.6 153,-1.6 151,-0.3 2,-0.7 -0.968 78.5-122.6-147.1 159.3 35.8 45.8 6.7 96 100 A V E -c 248 0B 0 -2,-0.3 166,-1.7 151,-0.1 2,-0.5 -0.903 24.3-166.0-109.3 105.5 34.6 48.9 4.8 97 101 A T E -cd 249 262B 0 151,-2.0 153,-1.7 -2,-0.7 2,-0.4 -0.794 8.2-161.7 -93.4 130.3 35.4 48.9 1.1 98 102 A E E -cd 250 263B 1 164,-3.4 166,-2.8 -2,-0.5 2,-0.6 -0.924 12.7-160.3-116.9 135.0 34.9 52.2 -0.7 99 103 A F E -cd 251 264B 0 151,-2.4 153,-1.9 -2,-0.4 2,-0.5 -0.958 14.5-178.8-111.0 120.0 34.6 53.0 -4.4 100 104 A A E + d 0 265B 2 164,-2.8 166,-0.9 -2,-0.6 153,-0.2 -0.968 19.4 141.2-121.6 113.1 35.4 56.5 -5.2 101 105 A G E - d 0 266B 0 -2,-0.5 153,-2.5 151,-0.4 2,-0.2 -0.645 47.5 -80.9-134.9-166.5 35.1 57.5 -8.8 102 106 A V S > S- 0 0 38 164,-0.9 3,-2.7 151,-0.2 5,-0.3 -0.558 71.2 -54.1 -97.5 165.3 34.0 60.4 -11.1 103 107 A F T 3 S- 0 0 138 1,-0.3 -1,-0.2 -2,-0.2 0, 0.0 -0.039 126.4 -3.0 -37.5 129.6 30.5 61.2 -12.2 104 108 A G T 3 S+ 0 0 50 1,-0.1 -1,-0.3 -3,-0.1 163,-0.1 0.668 88.3 134.3 55.4 23.0 28.9 58.1 -13.7 105 109 A S S < S- 0 0 0 -3,-2.7 162,-0.1 161,-0.1 -1,-0.1 0.607 84.7 -89.5 -76.8 -11.1 32.0 56.0 -13.3 106 110 A G S > S+ 0 0 6 -4,-0.2 4,-2.7 160,-0.1 5,-0.3 0.398 84.3 131.2 122.3 -2.1 29.9 53.2 -11.9 107 111 A K H > S+ 0 0 16 -5,-0.3 4,-1.9 1,-0.2 5,-0.1 0.925 81.6 41.0 -45.8 -60.4 29.7 53.6 -8.1 108 112 A T H > S+ 0 0 31 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.870 112.7 56.9 -59.3 -38.3 25.9 53.2 -7.8 109 113 A Q H > S+ 0 0 53 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.946 106.7 47.9 -59.4 -47.7 26.0 50.3 -10.3 110 114 A I H X S+ 0 0 3 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.879 110.6 54.1 -61.0 -35.5 28.5 48.4 -8.2 111 115 A M H X S+ 0 0 0 -4,-1.9 4,-1.6 -5,-0.3 -2,-0.2 0.961 110.5 43.5 -63.1 -52.1 26.3 49.1 -5.2 112 116 A H H X S+ 0 0 2 -4,-2.7 4,-1.9 1,-0.2 3,-0.3 0.935 110.1 56.9 -58.0 -49.3 23.2 47.6 -6.9 113 117 A Q H X S+ 0 0 4 -4,-2.7 4,-3.0 1,-0.3 -1,-0.2 0.880 105.2 51.9 -49.3 -44.9 25.1 44.7 -8.2 114 118 A S H X S+ 0 0 1 -4,-1.9 4,-1.5 2,-0.2 -1,-0.3 0.883 104.1 55.4 -63.2 -41.2 26.2 43.8 -4.7 115 119 A C H X S+ 0 0 0 -4,-1.6 4,-0.5 -3,-0.3 -1,-0.2 0.914 114.1 42.7 -58.4 -39.5 22.7 43.8 -3.4 116 120 A V H >< S+ 0 0 0 -4,-1.9 3,-1.6 1,-0.2 -2,-0.2 0.931 109.2 55.3 -70.8 -49.4 21.8 41.3 -6.1 117 121 A N H >< S+ 0 0 0 -4,-3.0 3,-1.2 1,-0.3 6,-0.3 0.715 97.1 67.3 -58.7 -20.8 24.9 39.2 -5.7 118 122 A L H 3< S+ 0 0 2 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.824 96.8 53.5 -69.5 -31.6 24.0 38.7 -2.0 119 123 A Q T << S+ 0 0 29 -3,-1.6 -1,-0.3 -4,-0.5 -2,-0.2 0.314 90.6 84.3 -87.2 10.0 21.0 36.7 -3.0 120 124 A N X - 0 0 20 -3,-1.2 3,-3.9 1,-0.2 4,-0.2 -0.812 68.8-160.8-111.6 89.0 23.1 34.4 -5.1 121 125 A P G > S+ 0 0 96 0, 0.0 3,-1.4 0, 0.0 -1,-0.2 0.774 88.3 61.7 -36.2 -41.4 24.4 31.9 -2.5 122 126 A E G 3 S+ 0 0 151 1,-0.2 -4,-0.1 -3,-0.1 -5,-0.0 0.644 92.6 67.6 -64.3 -17.0 27.2 30.9 -4.8 123 127 A F G < S+ 0 0 53 -3,-3.9 -46,-2.5 -6,-0.3 2,-0.6 0.354 80.0 83.5 -89.5 6.3 28.6 34.5 -4.7 124 128 A L E < -B 76 0A 12 -3,-1.4 2,-0.5 -48,-0.2 -48,-0.2 -0.942 67.0-157.1-110.3 114.4 29.7 34.5 -1.0 125 129 A F E +B 75 0A 87 -50,-2.5 -50,-2.9 -2,-0.6 2,-0.3 -0.807 28.9 135.3 -97.6 128.4 33.1 32.9 -0.6 126 130 A Y - 0 0 63 -2,-0.5 2,-0.7 -52,-0.2 -52,-0.1 -0.988 57.1 -98.1-162.0 165.8 34.1 31.5 2.8 127 131 A D >> - 0 0 76 -56,-0.5 3,-1.8 -2,-0.3 4,-1.6 -0.833 30.0-149.0 -91.7 112.2 35.7 28.7 4.8 128 132 A E T 34 S+ 0 0 109 -2,-0.7 5,-0.1 1,-0.3 -1,-0.1 0.630 92.2 65.3 -58.9 -14.1 32.9 26.6 6.1 129 133 A E T 34 S+ 0 0 180 1,-0.2 -1,-0.3 3,-0.1 3,-0.2 0.739 114.6 28.0 -80.3 -25.3 34.9 25.6 9.2 130 134 A A T <4 S+ 0 0 36 -3,-1.8 2,-0.3 1,-0.2 -2,-0.2 0.525 128.8 40.6-110.9 -12.9 34.9 29.2 10.5 131 135 A V S < S- 0 0 0 -4,-1.6 -1,-0.2 -58,-0.1 -5,-0.0 -0.848 77.5-152.7-141.0 101.0 31.6 30.4 8.9 132 136 A S >> - 0 0 70 -2,-0.3 3,-0.9 -3,-0.2 4,-0.9 -0.276 28.5-111.5 -72.4 160.3 28.6 28.0 8.9 133 137 A K T 34 S+ 0 0 132 1,-0.3 3,-0.4 2,-0.2 -1,-0.1 0.815 114.9 64.3 -58.9 -32.4 25.9 28.1 6.3 134 138 A G T >4 S+ 0 0 56 1,-0.2 3,-1.2 2,-0.2 -1,-0.3 0.853 96.3 55.9 -61.8 -35.9 23.4 29.3 9.0 135 139 A E T <4 S+ 0 0 72 -3,-0.9 -1,-0.2 1,-0.3 -2,-0.2 0.825 113.6 39.9 -66.7 -32.4 25.3 32.5 9.5 136 140 A V T 3< S+ 0 0 16 -4,-0.9 2,-0.4 -3,-0.4 -1,-0.3 0.138 91.3 121.6-103.7 20.3 25.0 33.4 5.8 137 141 A A S < S- 0 0 45 -3,-1.2 63,-0.1 1,-0.3 -3,-0.0 -0.720 81.9 -0.5 -89.1 127.7 21.4 32.1 5.6 138 142 A Q S S- 0 0 152 -2,-0.4 62,-0.5 1,-0.1 -1,-0.3 0.967 87.4-167.3 61.1 52.3 18.7 34.6 4.4 139 143 A P E -e 200 0B 13 0, 0.0 2,-0.3 0, 0.0 62,-0.2 -0.426 3.5-165.9 -70.8 148.4 21.2 37.4 4.1 140 144 A K E -e 201 0B 30 60,-2.2 62,-2.7 -2,-0.1 63,-1.3 -0.969 7.8-140.3-136.0 152.6 19.7 40.8 3.7 141 145 A A E -ef 203 173B 0 31,-2.8 33,-3.7 -2,-0.3 2,-0.5 -0.865 1.4-148.4-118.1 149.9 21.1 44.1 2.7 142 146 A V E -ef 204 174B 7 61,-2.6 63,-2.4 -2,-0.3 2,-0.6 -0.967 12.8-165.5-114.0 127.9 20.6 47.7 3.9 143 147 A Y E -ef 205 175B 0 31,-4.6 33,-2.6 -2,-0.5 2,-1.1 -0.905 4.4-163.9-118.3 101.0 20.9 50.4 1.2 144 148 A I E -ef 206 176B 0 61,-3.0 63,-2.2 -2,-0.6 2,-0.7 -0.757 14.8-157.0 -88.8 102.8 21.2 53.9 2.6 145 149 A D E +ef 207 177B 8 31,-2.3 33,-2.3 -2,-1.1 63,-0.2 -0.729 22.0 169.9 -86.3 110.3 20.5 56.0 -0.4 146 150 A T S S+ 0 0 8 61,-3.7 62,-0.4 -2,-0.7 -1,-0.2 0.829 79.3 36.1 -88.6 -37.6 21.9 59.5 -0.2 147 151 A D S S- 0 0 72 60,-1.0 61,-0.1 64,-0.0 -1,-0.1 0.526 107.5-115.2 -94.3 -7.9 21.4 60.9 -3.7 148 152 A G S S+ 0 0 18 59,-0.4 29,-0.1 30,-0.1 -3,-0.0 0.895 75.2 130.4 74.7 41.3 18.1 59.2 -4.3 149 153 A T + 0 0 47 58,-0.3 2,-0.4 2,-0.0 -1,-0.0 0.131 19.5 129.5-113.3 19.0 19.5 57.0 -7.1 150 154 A F - 0 0 30 57,-0.1 25,-0.0 -7,-0.1 -5,-0.0 -0.617 38.0-169.2 -72.7 130.1 18.2 53.6 -6.0 151 155 A R > - 0 0 116 -2,-0.4 4,-0.9 1,-0.1 3,-0.4 -0.859 17.8-167.0-129.4 100.0 16.5 52.0 -9.0 152 156 A P H > S+ 0 0 56 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.725 90.4 61.5 -53.9 -24.7 14.5 48.8 -8.4 153 157 A E H > S+ 0 0 121 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.981 101.2 52.2 -64.2 -53.9 14.3 48.3 -12.1 154 158 A R H > S+ 0 0 34 -3,-0.4 4,-1.5 1,-0.2 -1,-0.2 0.695 109.1 50.7 -53.6 -26.0 18.1 48.0 -12.3 155 159 A I H X S+ 0 0 0 -4,-0.9 4,-2.4 2,-0.2 -1,-0.2 0.952 109.5 48.8 -76.1 -54.9 17.9 45.4 -9.5 156 160 A M H X S+ 0 0 75 -4,-2.1 4,-2.5 1,-0.2 10,-0.3 0.864 113.0 50.1 -49.3 -43.5 15.3 43.3 -11.3 157 161 A Q H X S+ 0 0 72 -4,-2.6 4,-1.5 2,-0.2 -1,-0.2 0.917 109.3 47.6 -64.7 -49.9 17.4 43.5 -14.5 158 162 A M H X S+ 0 0 0 -4,-1.5 4,-1.2 -5,-0.2 -1,-0.2 0.863 113.3 51.5 -62.5 -34.5 20.7 42.5 -12.9 159 163 A A H >X>S+ 0 0 0 -4,-2.4 5,-2.0 2,-0.2 4,-1.7 0.978 104.8 53.6 -64.5 -57.6 18.9 39.6 -11.2 160 164 A E H 3<5S+ 0 0 140 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.797 112.2 45.9 -46.9 -37.3 17.3 38.2 -14.4 161 165 A H H 3<5S+ 0 0 85 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.752 110.2 52.8 -79.7 -27.2 20.6 38.1 -16.1 162 166 A A H <<5S- 0 0 43 -4,-1.2 -2,-0.2 -3,-1.1 -1,-0.2 0.667 119.2-113.7 -80.4 -18.2 22.3 36.5 -13.1 163 167 A G T <5S+ 0 0 61 -4,-1.7 2,-0.3 1,-0.3 -3,-0.2 0.785 78.0 109.8 89.3 30.5 19.5 33.9 -13.2 164 168 A I S > - 0 0 95 -2,-0.3 3,-1.2 -46,-0.2 4,-1.0 -0.687 25.7-164.5 -87.5 109.2 14.6 36.4 -8.7 166 170 A G H 3> S+ 0 0 4 -2,-0.8 4,-2.7 -10,-0.3 3,-0.4 0.832 93.2 58.3 -55.9 -35.4 14.8 40.2 -8.7 167 171 A Q H 3> S+ 0 0 83 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.811 101.8 57.7 -65.7 -25.8 11.7 40.3 -6.5 168 172 A T H <> S+ 0 0 55 -3,-1.2 4,-0.9 2,-0.2 -1,-0.2 0.808 106.9 46.5 -72.0 -31.1 13.7 38.2 -4.1 169 173 A V H >< S+ 0 0 0 -4,-1.0 3,-0.9 -3,-0.4 -2,-0.2 0.943 110.8 51.9 -74.9 -47.7 16.4 40.9 -3.9 170 174 A L H >< S+ 0 0 50 -4,-2.7 3,-0.7 1,-0.3 -2,-0.2 0.813 109.2 52.1 -55.9 -30.8 13.8 43.6 -3.4 171 175 A D H 3< S+ 0 0 103 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.777 113.9 41.8 -79.1 -25.0 12.4 41.6 -0.6 172 176 A N T << S+ 0 0 23 -4,-0.9 -31,-2.8 -3,-0.9 2,-0.5 0.067 99.3 84.9-110.1 25.8 15.7 41.3 1.1 173 177 A T E < -f 141 0B 17 -3,-0.7 2,-0.6 -33,-0.2 -31,-0.2 -0.974 59.5-157.2-131.0 120.4 17.0 44.8 0.6 174 178 A F E -f 142 0B 68 -33,-3.7 -31,-4.6 -2,-0.5 2,-0.5 -0.851 11.6-165.4 -95.8 122.5 16.2 47.6 3.0 175 179 A V E -f 143 0B 58 -2,-0.6 2,-0.5 -33,-0.2 -31,-0.2 -0.926 4.9-171.3-110.6 129.8 16.5 51.0 1.3 176 180 A A E -f 144 0B 18 -33,-2.6 -31,-2.3 -2,-0.5 2,-0.9 -0.983 15.9-144.3-120.9 122.0 16.6 54.1 3.4 177 181 A R E -f 145 0B 84 -2,-0.5 2,-0.3 -33,-0.2 -31,-0.2 -0.784 19.3-168.0 -89.5 108.8 16.4 57.5 1.7 178 182 A A - 0 0 0 -33,-2.3 -30,-0.1 -2,-0.9 3,-0.1 -0.760 15.9-173.5 -95.3 143.1 18.6 59.9 3.6 179 183 A Y S S+ 0 0 162 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.397 70.5 8.9-113.7 -3.2 18.3 63.6 2.8 180 184 A N S > S- 0 0 50 1,-0.0 4,-3.0 35,-0.0 -1,-0.2 -0.976 85.7 -87.7-165.8 170.4 21.2 64.7 5.0 181 185 A S H > S+ 0 0 0 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.762 121.1 55.8 -59.2 -29.2 24.1 63.6 7.2 182 186 A D H > S+ 0 0 93 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.950 112.6 39.5 -70.6 -47.8 21.8 63.3 10.2 183 187 A M H > S+ 0 0 61 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.927 116.6 53.5 -65.6 -42.4 19.4 61.0 8.6 184 188 A Q H X S+ 0 0 0 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.950 113.3 40.7 -55.8 -54.2 22.3 59.2 6.9 185 189 A M H X S+ 0 0 11 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.902 115.9 50.9 -62.6 -42.6 24.2 58.6 10.2 186 190 A L H X S+ 0 0 80 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.934 107.5 51.2 -62.6 -49.4 21.0 57.7 12.1 187 191 A F H < S+ 0 0 59 -4,-3.0 4,-0.3 1,-0.2 -1,-0.2 0.932 110.5 52.2 -53.3 -44.9 19.8 55.2 9.5 188 192 A A H >< S+ 0 0 1 -4,-1.9 3,-1.6 -5,-0.3 4,-0.4 0.942 110.4 45.9 -55.8 -51.4 23.3 53.7 9.9 189 193 A E H >< S+ 0 0 86 -4,-2.5 3,-0.7 1,-0.3 -1,-0.2 0.795 106.0 61.9 -63.4 -28.4 23.0 53.5 13.7 190 194 A K T >X S+ 0 0 104 -4,-2.4 4,-0.9 1,-0.2 3,-0.7 0.482 80.3 85.4 -78.2 -1.7 19.5 52.0 13.3 191 195 A I H X> S+ 0 0 3 -3,-1.6 4,-1.6 -4,-0.3 3,-0.7 0.900 77.0 65.4 -66.1 -39.0 20.8 49.0 11.5 192 196 A E H <> S+ 0 0 56 -3,-0.7 4,-1.3 -4,-0.4 -1,-0.2 0.812 98.7 58.5 -52.2 -28.4 21.6 47.2 14.8 193 197 A D H <> S+ 0 0 67 -3,-0.7 4,-0.9 -4,-0.2 -1,-0.3 0.903 99.6 52.1 -69.4 -44.7 17.8 47.3 15.2 194 198 A L H <<>S+ 0 0 38 -4,-0.9 5,-1.1 -3,-0.7 -1,-0.2 0.830 109.2 53.5 -62.5 -29.0 16.9 45.4 12.1 195 199 A I H ><5S+ 0 0 41 -4,-1.6 3,-1.2 1,-0.2 -1,-0.2 0.864 106.3 49.7 -74.4 -34.5 19.4 42.7 13.2 196 200 A Q H 3<5S+ 0 0 91 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.609 102.9 63.1 -78.3 -10.4 17.7 42.4 16.6 197 201 A E T 3<5S- 0 0 133 -4,-0.9 -1,-0.3 -3,-0.1 -2,-0.2 0.395 131.7 -94.1 -90.6 2.8 14.4 42.0 14.8 198 202 A G T < 5S+ 0 0 66 -3,-1.2 2,-0.6 1,-0.2 -3,-0.2 0.842 77.5 145.0 89.4 38.0 15.9 38.9 13.3 199 203 A N < - 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