==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL PROTEIN 09-JUN-09 3HRA . COMPND 2 MOLECULE: ANKYRIN REPEAT FAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROCOCCUS FAECALIS; . AUTHOR N.W.ISAACS,T.J.MITCHELL,A.RIBOLDI-TUNNICLIFFE . 199 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9722.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 133 66.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 5 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 13 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 38.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 4.0 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 0 1 3 4 1 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 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 0 0 0 0 0 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 0 0 0 0 0 0 0 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 3 A T 0 0 174 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 10.8 0.5 24.4 -38.3 2 4 A Y - 0 0 83 20,-0.1 2,-0.2 1,-0.1 3,-0.1 -0.249 360.0-117.0 -57.9 147.2 2.0 22.4 -35.4 3 5 A E > - 0 0 165 1,-0.1 3,-2.0 2,-0.0 4,-0.2 -0.546 40.2 -86.5 -82.3 152.1 3.3 18.9 -36.2 4 6 A V T 3 S+ 0 0 139 1,-0.2 -1,-0.1 -2,-0.2 24,-0.0 -0.391 118.2 36.1 -53.6 131.7 1.6 15.9 -34.6 5 7 A G T 3> S+ 0 0 25 -3,-0.1 4,-2.5 -2,-0.1 -1,-0.2 0.218 78.7 112.8 107.6 -14.4 3.5 15.3 -31.3 6 8 A A H <> S+ 0 0 22 -3,-2.0 4,-2.1 1,-0.2 -2,-0.1 0.903 82.8 43.6 -55.4 -45.3 4.1 19.0 -30.4 7 9 A L H > S+ 0 0 0 -4,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.869 111.4 53.2 -74.0 -38.0 1.7 18.8 -27.4 8 10 A L H > S+ 0 0 15 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.919 110.2 49.5 -58.9 -43.9 3.0 15.5 -26.2 9 11 A E H X S+ 0 0 117 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.910 109.9 49.8 -63.5 -44.5 6.5 17.0 -26.3 10 12 A A H <>S+ 0 0 1 -4,-2.1 5,-2.5 2,-0.2 -1,-0.2 0.876 112.8 47.8 -59.7 -40.6 5.4 20.0 -24.3 11 13 A A H ><5S+ 0 0 1 -4,-2.2 3,-1.6 2,-0.2 -2,-0.2 0.912 110.3 50.9 -66.8 -43.8 3.8 17.8 -21.7 12 14 A N H 3<5S+ 0 0 94 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.877 109.8 52.0 -59.8 -35.8 6.8 15.5 -21.4 13 15 A Q T 3<5S- 0 0 116 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.357 108.3-127.7 -83.9 3.9 8.9 18.7 -20.9 14 16 A R T < 5 + 0 0 121 -3,-1.6 2,-1.1 1,-0.2 -3,-0.2 0.807 54.0 157.5 57.7 32.8 6.6 19.8 -18.1 15 17 A D >< + 0 0 63 -5,-2.5 4,-2.4 1,-0.2 -1,-0.2 -0.714 20.0 177.6-101.2 87.5 6.3 23.1 -20.0 16 18 A T H > S+ 0 0 48 -2,-1.1 4,-2.3 1,-0.2 -1,-0.2 0.887 80.9 49.9 -57.5 -44.9 3.0 24.7 -18.9 17 19 A K H > S+ 0 0 170 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.908 111.0 49.0 -64.4 -42.1 3.5 27.9 -21.0 18 20 A K H > S+ 0 0 73 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.890 109.4 53.7 -63.3 -40.9 4.3 25.9 -24.1 19 21 A V H X S+ 0 0 0 -4,-2.4 4,-2.3 -9,-0.2 -2,-0.2 0.944 110.7 45.4 -55.2 -48.8 1.2 23.7 -23.5 20 22 A K H X S+ 0 0 93 -4,-2.3 4,-0.8 1,-0.2 -2,-0.2 0.863 110.0 55.6 -67.3 -36.5 -1.0 26.8 -23.3 21 23 A E H >< S+ 0 0 87 -4,-2.2 3,-0.7 1,-0.2 4,-0.3 0.928 111.0 44.0 -57.0 -49.5 0.6 28.3 -26.4 22 24 A I H >< S+ 0 0 0 -4,-2.3 3,-1.9 1,-0.2 6,-0.2 0.898 107.5 58.5 -65.7 -39.2 -0.3 25.2 -28.4 23 25 A L H 3< S+ 0 0 14 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.679 89.0 73.9 -68.5 -15.3 -3.8 25.0 -27.0 24 26 A Q T << S+ 0 0 150 -4,-0.8 2,-0.8 -3,-0.7 -1,-0.3 0.744 76.4 90.8 -68.4 -21.2 -4.5 28.5 -28.4 25 27 A D X - 0 0 26 -3,-1.9 3,-1.7 -4,-0.3 -1,-0.0 -0.689 69.6-159.0 -76.5 107.5 -4.6 26.8 -31.8 26 28 A T T 3 S+ 0 0 126 -2,-0.8 -1,-0.2 1,-0.3 -3,-0.1 0.612 87.4 57.0 -67.7 -15.4 -8.3 25.9 -32.1 27 29 A T T 3 S+ 0 0 113 2,-0.1 -1,-0.3 -3,-0.0 2,-0.1 0.537 78.3 120.6 -90.6 -10.5 -7.5 23.2 -34.7 28 30 A Y < - 0 0 21 -3,-1.7 2,-1.0 -6,-0.2 3,-0.1 -0.323 62.4-135.9 -65.7 130.9 -5.1 21.2 -32.5 29 31 A Q > - 0 0 124 1,-0.2 3,-0.9 -2,-0.1 -1,-0.1 -0.747 20.1-167.8 -84.6 105.0 -6.1 17.6 -31.8 30 32 A V T 3 S+ 0 0 9 -2,-1.0 11,-0.3 1,-0.3 -1,-0.2 0.677 73.4 64.2 -75.0 -18.4 -5.4 17.4 -28.1 31 33 A D T 3 + 0 0 24 8,-0.1 -1,-0.3 9,-0.1 -2,-0.0 -0.046 64.7 144.9-101.8 34.9 -5.6 13.7 -27.7 32 34 A E < - 0 0 15 -3,-0.9 2,-0.3 1,-0.1 -28,-0.0 -0.326 40.4-135.6 -58.9 153.8 -2.7 12.6 -29.9 33 35 A V - 0 0 79 6,-0.2 6,-0.2 7,-0.1 2,-0.1 -0.885 9.5-142.6-124.6 151.3 -0.9 9.5 -28.5 34 36 A D > - 0 0 42 4,-1.7 3,-1.9 -2,-0.3 -1,-0.0 -0.227 49.7 -78.6 -92.6-172.2 2.7 8.3 -27.8 35 37 A T T 3 S+ 0 0 128 1,-0.3 -2,-0.0 2,-0.1 -1,-0.0 0.683 131.7 50.2 -66.0 -18.0 4.1 4.8 -28.2 36 38 A E T 3 S- 0 0 111 2,-0.1 32,-2.8 31,-0.0 33,-0.3 0.245 120.7-105.2-102.5 8.6 2.5 3.8 -24.9 37 39 A G S < S+ 0 0 16 -3,-1.9 2,-0.4 1,-0.3 -2,-0.1 0.626 71.8 147.1 77.9 12.4 -0.9 5.0 -25.8 38 40 A N - 0 0 22 29,-0.1 -4,-1.7 4,-0.1 -1,-0.3 -0.676 35.4-152.3 -82.2 132.6 -0.6 8.1 -23.5 39 41 A T > - 0 0 0 -2,-0.4 4,-2.2 26,-0.3 5,-0.2 -0.474 37.6 -99.1 -86.0 169.7 -2.3 11.4 -24.4 40 42 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.896 127.1 54.0 -55.5 -37.8 -0.8 14.7 -23.2 41 43 A L H > S+ 0 0 0 -11,-0.3 4,-2.3 1,-0.2 5,-0.2 0.937 106.5 49.7 -64.1 -45.9 -3.5 14.6 -20.5 42 44 A N H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.894 110.1 51.6 -59.8 -37.5 -2.4 11.2 -19.3 43 45 A I H X S+ 0 0 9 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.944 109.9 49.6 -63.3 -46.6 1.3 12.4 -19.2 44 46 A A H X>S+ 0 0 0 -4,-2.5 5,-2.4 1,-0.2 4,-0.9 0.875 109.9 50.6 -59.1 -39.6 0.2 15.4 -17.1 45 47 A V H ><5S+ 0 0 0 -4,-2.3 3,-0.5 2,-0.2 -1,-0.2 0.926 109.9 49.7 -67.4 -42.8 -1.7 13.2 -14.7 46 48 A H H 3<5S+ 0 0 57 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.900 117.1 42.0 -57.3 -42.4 1.3 10.9 -14.2 47 49 A N H 3<5S- 0 0 51 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.576 107.2-127.4 -79.0 -11.7 3.5 13.9 -13.6 48 50 A N T <<5 + 0 0 58 -4,-0.9 2,-1.3 -3,-0.5 -3,-0.2 0.869 48.5 162.3 53.2 43.1 0.9 15.6 -11.4 49 51 A D >< - 0 0 25 -5,-2.4 4,-2.4 1,-0.2 -1,-0.2 -0.737 14.6-177.0 -87.1 90.5 1.1 18.8 -13.5 50 52 A I H > S+ 0 0 44 -2,-1.3 4,-2.6 1,-0.2 -1,-0.2 0.880 73.7 47.3 -64.2 -44.5 -2.1 20.2 -12.2 51 53 A E H > S+ 0 0 88 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.910 113.2 49.1 -68.6 -39.4 -2.3 23.4 -14.4 52 54 A I H > S+ 0 0 1 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.931 111.8 50.0 -61.3 -45.8 -1.4 21.5 -17.6 53 55 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.921 111.0 48.2 -61.3 -45.1 -4.1 18.9 -16.7 54 56 A K H X S+ 0 0 68 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.928 110.6 52.3 -60.1 -44.4 -6.7 21.6 -16.1 55 57 A A H X S+ 0 0 14 -4,-2.5 4,-1.0 1,-0.2 -1,-0.2 0.884 111.5 46.0 -58.2 -40.9 -5.8 23.3 -19.4 56 58 A L H <>S+ 0 0 0 -4,-2.2 5,-2.5 2,-0.2 3,-0.2 0.900 111.3 51.0 -72.6 -41.6 -6.2 20.1 -21.4 57 59 A I H ><5S+ 0 0 11 -4,-2.4 3,-1.5 1,-0.2 -2,-0.2 0.901 108.4 52.7 -62.0 -41.1 -9.5 19.2 -19.8 58 60 A D H 3<5S+ 0 0 104 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.789 107.0 53.6 -63.4 -29.3 -10.8 22.7 -20.5 59 61 A R T 3<5S- 0 0 72 -4,-1.0 -1,-0.3 -3,-0.2 -29,-0.2 0.275 129.5 -94.9 -90.2 9.1 -9.8 22.1 -24.2 60 62 A G T < 5 + 0 0 57 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.611 60.0 170.5 94.9 15.2 -11.8 18.9 -24.3 61 63 A A < - 0 0 9 -5,-2.5 2,-0.7 -8,-0.1 -1,-0.2 -0.285 41.2-112.2 -58.4 140.0 -9.2 16.2 -23.6 62 64 A D > - 0 0 61 1,-0.2 3,-1.2 31,-0.1 -1,-0.1 -0.674 24.3-166.1 -82.8 112.2 -10.8 12.8 -23.1 63 65 A I T 3 S+ 0 0 3 -2,-0.7 11,-2.5 1,-0.2 12,-0.4 0.609 87.4 54.5 -73.0 -8.6 -10.4 11.8 -19.4 64 66 A N T 3 S+ 0 0 16 9,-0.2 2,-0.8 8,-0.2 -1,-0.2 0.333 71.1 120.7-106.9 6.5 -11.3 8.2 -20.3 65 67 A L < - 0 0 46 -3,-1.2 -26,-0.3 1,-0.0 2,-0.2 -0.626 56.4-144.5 -80.4 110.0 -8.8 7.5 -23.1 66 68 A Q - 0 0 60 -2,-0.8 6,-0.3 6,-0.2 -2,-0.1 -0.486 4.8-141.1 -81.7 139.5 -6.9 4.4 -21.9 67 69 A N > - 0 0 16 4,-2.5 3,-2.2 -2,-0.2 -30,-0.3 -0.113 46.2 -73.4 -81.9-170.9 -3.2 3.8 -22.5 68 70 A S T 3 S+ 0 0 92 -32,-2.8 -31,-0.1 1,-0.3 -1,-0.1 0.619 133.6 48.1 -66.9 -14.3 -1.5 0.5 -23.2 69 71 A I T 3 S- 0 0 70 -33,-0.3 33,-0.6 2,-0.2 -1,-0.3 0.111 123.0-101.4-108.9 24.3 -1.9 -0.7 -19.7 70 72 A S S < S+ 0 0 46 -3,-2.2 2,-0.7 1,-0.2 -2,-0.1 0.551 77.5 137.8 74.0 9.9 -5.6 0.2 -19.5 71 73 A D - 0 0 24 30,-0.1 -4,-2.5 4,-0.1 -1,-0.2 -0.793 31.1-171.6 -89.3 116.5 -5.0 3.4 -17.5 72 74 A S > - 0 0 1 -2,-0.7 4,-2.5 -6,-0.3 5,-0.3 -0.569 43.3-101.2 -87.7 168.2 -7.0 6.4 -18.6 73 75 A P H > S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.909 125.2 49.0 -54.3 -42.7 -6.3 9.9 -17.0 74 76 A Y H > S+ 0 0 3 -11,-2.5 4,-2.2 2,-0.2 5,-0.2 0.936 111.4 46.4 -62.0 -50.7 -9.3 9.4 -14.7 75 77 A L H > S+ 0 0 5 -12,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.889 116.7 45.6 -61.9 -39.1 -8.4 5.8 -13.6 76 78 A Y H X S+ 0 0 36 -4,-2.5 4,-2.5 2,-0.2 6,-0.3 0.928 110.2 52.1 -71.8 -45.9 -4.8 6.9 -12.9 77 79 A A H <>S+ 0 0 0 -4,-2.8 5,-1.8 -5,-0.3 4,-0.4 0.912 114.8 43.9 -55.9 -43.6 -5.7 10.1 -11.1 78 80 A G H ><5S+ 0 0 0 -4,-2.2 3,-0.9 -5,-0.2 -2,-0.2 0.956 116.5 44.7 -65.2 -52.7 -8.1 8.1 -8.8 79 81 A A H 3<5S+ 0 0 8 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.816 116.6 45.1 -59.4 -36.0 -5.7 5.2 -8.2 80 82 A Q T 3<5S- 0 0 59 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.224 110.7-107.0-108.6 12.9 -2.6 7.3 -7.6 81 83 A G T < 5 + 0 0 18 -3,-0.9 2,-2.0 -4,-0.4 3,-0.2 0.737 59.8 153.7 76.8 23.4 -3.8 10.1 -5.3 82 84 A R >< + 0 0 51 -5,-1.8 4,-2.5 -6,-0.3 -1,-0.2 -0.543 17.3 169.0 -81.2 75.3 -3.8 13.0 -7.7 83 85 A T H > + 0 0 40 -2,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.862 65.5 49.2 -63.7 -47.6 -6.5 14.7 -5.6 84 86 A E H > S+ 0 0 101 -3,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.916 115.2 45.1 -59.1 -46.2 -6.6 18.1 -7.2 85 87 A I H > S+ 0 0 1 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.920 113.2 50.8 -65.5 -41.9 -6.8 16.7 -10.7 86 88 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.916 108.2 51.7 -60.8 -47.6 -9.5 14.2 -9.7 87 89 A A H X S+ 0 0 22 -4,-2.8 4,-0.9 1,-0.2 -1,-0.2 0.902 111.2 48.6 -55.1 -42.8 -11.6 16.9 -8.1 88 90 A Y H >X S+ 0 0 34 -4,-1.8 4,-2.6 1,-0.2 3,-0.7 0.926 110.2 50.7 -64.1 -45.1 -11.3 18.9 -11.3 89 91 A M H 3X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.902 106.6 54.5 -58.5 -43.6 -12.3 15.9 -13.4 90 92 A L H 3< S+ 0 0 35 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.721 117.9 36.8 -65.3 -21.1 -15.3 15.2 -11.2 91 93 A K H << S+ 0 0 158 -4,-0.9 -2,-0.2 -3,-0.7 -1,-0.2 0.739 127.8 29.8 -97.1 -30.9 -16.5 18.8 -11.9 92 94 A H H < S+ 0 0 101 -4,-2.6 2,-0.3 -5,-0.1 -3,-0.2 0.321 116.7 37.8-120.0 7.2 -15.5 19.4 -15.5 93 95 A A S < S- 0 0 29 -4,-1.7 -31,-0.1 -5,-0.2 -35,-0.0 -0.900 72.9-113.7-149.1 176.5 -15.7 16.1 -17.2 94 96 A T - 0 0 103 -2,-0.3 -30,-0.1 -3,-0.0 -31,-0.1 -0.919 27.1-141.6-124.6 105.3 -17.7 12.8 -17.4 95 97 A P - 0 0 5 0, 0.0 2,-0.8 0, 0.0 -31,-0.1 -0.369 12.0-133.9 -65.3 142.5 -16.0 9.6 -16.2 96 98 A D > - 0 0 59 1,-0.1 3,-1.5 -2,-0.0 -22,-0.0 -0.864 16.6-168.9 -97.6 105.1 -16.8 6.5 -18.2 97 99 A L T 3 S+ 0 0 50 -2,-0.8 -1,-0.1 1,-0.3 10,-0.0 0.450 79.5 69.6 -81.5 3.8 -17.6 3.8 -15.6 98 100 A N T 3 S+ 0 0 141 2,-0.0 2,-0.5 8,-0.0 -1,-0.3 0.449 83.2 87.2 -92.0 -1.7 -17.5 1.0 -18.2 99 101 A K < - 0 0 64 -3,-1.5 2,-0.3 5,-0.0 -27,-0.1 -0.868 62.6-175.0 -97.9 127.1 -13.7 1.5 -18.5 100 102 A H - 0 0 59 -2,-0.5 6,-0.2 1,-0.1 -25,-0.0 -0.823 23.1-107.4-122.7 160.1 -11.6 -0.5 -16.0 101 103 A N > - 0 0 22 4,-2.3 3,-2.1 -2,-0.3 -31,-0.2 -0.029 52.5 -78.8 -75.9-176.1 -7.9 -0.8 -15.2 102 104 A R T 3 S+ 0 0 136 -33,-0.6 -32,-0.1 1,-0.3 -1,-0.1 0.677 132.7 47.6 -60.9 -18.8 -5.6 -3.7 -16.0 103 105 A Y T 3 S- 0 0 120 3,-0.1 33,-3.0 -33,-0.1 34,-0.3 0.260 121.9-102.8-106.0 10.4 -7.0 -5.7 -13.1 104 106 A G S < S+ 0 0 14 -3,-2.1 -2,-0.1 1,-0.2 2,-0.1 0.660 81.1 130.5 79.2 16.2 -10.7 -5.0 -13.9 105 107 A G - 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0 0 3 -4,-1.6 -3,-0.2 2,-0.1 -4,-0.1 0.742 66.7-142.0-108.2 -30.2 -18.1 10.0 -8.1 128 130 A R + 0 0 158 -5,-0.4 -4,-0.1 1,-0.3 -5,-0.1 0.235 52.9 144.5 81.5 -15.8 -20.9 7.6 -9.1 129 131 A E - 0 0 24 -6,-0.4 2,-0.6 1,-0.1 -1,-0.3 -0.282 57.9-116.7 -54.4 135.6 -18.5 4.7 -8.4 130 132 A D > - 0 0 90 1,-0.2 3,-1.9 -3,-0.1 -1,-0.1 -0.698 16.4-149.4 -77.4 118.5 -20.3 1.6 -7.0 131 133 A I T 3 S+ 0 0 27 -2,-0.6 10,-0.5 1,-0.3 11,-0.4 0.758 97.4 51.2 -62.3 -21.1 -18.8 1.1 -3.5 132 134 A D T 3 S+ 0 0 46 8,-0.1 -1,-0.3 9,-0.1 -2,-0.0 0.225 79.5 135.0-101.8 14.2 -19.4 -2.6 -3.9 133 135 A F < - 0 0 52 -3,-1.9 2,-0.4 1,-0.1 8,-0.4 -0.281 41.7-149.3 -63.6 147.8 -17.7 -2.9 -7.3 134 136 A Q - 0 0 79 6,-0.1 6,-0.2 -30,-0.1 5,-0.1 -0.959 1.7-144.6-121.8 143.6 -15.3 -5.9 -7.6 135 137 A N > - 0 0 13 4,-2.1 3,-2.1 -2,-0.4 -31,-0.2 -0.133 48.8 -73.7 -89.3-168.1 -12.2 -6.4 -9.7 136 138 A D T 3 S+ 0 0 109 -33,-3.0 -32,-0.1 1,-0.3 -1,-0.0 0.723 133.8 51.1 -63.4 -23.0 -10.9 -9.5 -11.4 137 139 A F T 3 S- 0 0 92 -34,-0.3 37,-2.3 2,-0.1 38,-0.3 0.443 118.4-110.2 -89.1 -5.3 -9.9 -11.1 -8.1 138 140 A G S < S+ 0 0 2 -3,-2.1 2,-0.2 1,-0.3 -2,-0.1 0.472 70.1 148.4 85.5 4.3 -13.3 -10.4 -6.6 139 141 A Y - 0 0 50 34,-0.1 -4,-2.1 4,-0.1 -1,-0.3 -0.515 32.0-160.2 -76.4 137.4 -11.8 -7.8 -4.3 140 142 A T > - 0 0 3 -2,-0.2 4,-2.5 -6,-0.2 5,-0.2 -0.578 39.2 -98.4 -97.4 174.0 -13.8 -4.7 -3.3 141 143 A A H > S+ 0 0 1 -10,-0.5 4,-2.7 -8,-0.4 5,-0.2 0.911 126.6 51.6 -58.0 -43.2 -12.3 -1.5 -2.0 142 144 A L H > S+ 0 0 3 -11,-0.4 4,-1.8 2,-0.2 5,-0.2 0.927 108.9 48.7 -60.4 -47.9 -13.0 -2.7 1.6 143 145 A I H >>S+ 0 0 2 1,-0.2 4,-3.4 2,-0.2 5,-0.5 0.916 113.8 46.3 -60.6 -44.2 -11.3 -6.1 1.0 144 146 A E H X5S+ 0 0 15 -4,-2.5 4,-1.6 1,-0.2 5,-0.5 0.925 110.4 53.0 -65.1 -44.7 -8.2 -4.5 -0.5 145 147 A A H <5S+ 0 0 0 -4,-2.7 6,-0.4 -5,-0.2 -1,-0.2 0.824 122.3 31.3 -58.6 -32.9 -8.0 -1.9 2.3 146 148 A V H <5S+ 0 0 0 -4,-1.8 -2,-0.2 -5,-0.2 -3,-0.2 0.918 127.8 32.8 -88.0 -52.9 -8.1 -4.7 4.9 147 149 A G H <5S+ 0 0 9 -4,-3.4 -3,-0.2 -5,-0.2 -2,-0.1 0.742 118.8 44.4 -86.3 -27.1 -6.4 -7.7 3.3 148 150 A L S < S- 0 0 73 38,-0.1 4,-2.6 1,-0.1 3,-0.2 0.001 70.5 -76.7 -82.8-173.2 -2.6 0.6 10.6 153 155 A Q H > S+ 0 0 116 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.844 128.1 53.8 -52.6 -42.7 -4.3 3.8 11.5 154 156 A L H > S+ 0 0 68 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.934 113.3 42.3 -61.7 -44.7 -4.6 5.0 7.9 155 157 A Y H > S+ 0 0 6 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.856 110.2 56.5 -74.9 -31.3 -6.3 1.8 6.8 156 158 A Q H X S+ 0 0 29 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.935 109.6 47.8 -59.4 -44.7 -8.5 1.7 9.9 157 159 A D H X S+ 0 0 78 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.877 111.0 49.6 -65.6 -37.9 -9.7 5.2 8.8 158 160 A I H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.926 110.3 51.1 -68.1 -41.7 -10.3 4.0 5.3 159 161 A V H X S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 5,-0.2 0.925 111.2 47.8 -57.9 -46.3 -12.3 1.0 6.5 160 162 A K H X S+ 0 0 77 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.923 110.3 51.8 -61.0 -46.9 -14.4 3.3 8.8 161 163 A L H X S+ 0 0 32 -4,-2.4 4,-0.7 1,-0.2 -1,-0.2 0.909 111.7 47.4 -53.6 -48.0 -15.1 5.8 5.9 162 164 A L H ><>S+ 0 0 0 -4,-2.4 5,-2.3 1,-0.2 3,-0.7 0.914 113.2 46.9 -63.7 -45.8 -16.2 2.9 3.6 163 165 A M H ><5S+ 0 0 9 -4,-2.5 3,-1.6 1,-0.2 -1,-0.2 0.872 108.1 55.9 -65.5 -35.8 -18.5 1.4 6.3 164 166 A E H 3<5S+ 0 0 118 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.688 106.6 52.8 -70.4 -14.8 -20.0 4.8 7.0 165 167 A N T <<5S- 0 0 78 -3,-0.7 -1,-0.3 -4,-0.7 -2,-0.2 0.174 127.4 -97.0-106.2 16.4 -20.9 5.0 3.4 166 168 A G T < 5 + 0 0 56 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.675 55.7 175.9 84.1 20.4 -22.7 1.7 3.3 167 169 A A < - 0 0 7 -5,-2.3 2,-0.9 1,-0.1 -1,-0.2 -0.312 34.5-122.0 -54.6 137.5 -20.0 -0.7 2.0 168 170 A D > - 0 0 61 1,-0.1 3,-0.8 2,-0.0 -1,-0.1 -0.754 28.0-175.6 -85.4 108.8 -21.3 -4.3 1.9 169 171 A Q T 3 S+ 0 0 13 -2,-0.9 10,-0.6 1,-0.2 11,-0.5 0.548 72.8 73.5 -83.9 -4.4 -18.8 -6.2 4.1 170 172 A S T 3 + 0 0 75 8,-0.1 -1,-0.2 29,-0.1 2,-0.1 0.595 68.7 117.2 -83.4 -10.4 -20.5 -9.6 3.4 171 173 A I < - 0 0 28 -3,-0.8 2,-0.4 1,-0.1 8,-0.4 -0.355 55.5-147.3 -63.1 131.4 -19.1 -9.7 -0.2 172 174 A K - 0 0 133 6,-0.1 6,-0.2 -2,-0.1 -1,-0.1 -0.819 5.6-137.4-100.8 138.0 -16.7 -12.6 -0.8 173 175 A D > - 0 0 8 4,-2.4 3,-1.9 -2,-0.4 -35,-0.3 -0.097 45.2 -79.8 -76.3-173.1 -13.7 -12.4 -3.1 174 176 A N T 3 S+ 0 0 122 -37,-2.3 -36,-0.1 1,-0.3 -1,-0.1 0.645 132.5 55.9 -68.9 -16.4 -12.8 -15.2 -5.6 175 177 A S T 3 S- 0 0 72 -38,-0.3 -1,-0.3 2,-0.2 -37,-0.1 0.399 119.9-110.0 -90.8 0.5 -11.1 -17.2 -2.7 176 178 A G S < S+ 0 0 37 -3,-1.9 2,-0.3 1,-0.3 -2,-0.1 0.637 74.5 133.7 83.1 15.5 -14.4 -17.0 -0.7 177 179 A R - 0 0 83 4,-0.0 -4,-2.4 3,-0.0 -1,-0.3 -0.767 40.6-153.3-106.2 144.6 -13.1 -14.6 1.9 178 180 A T > - 0 0 17 -2,-0.3 4,-2.0 -6,-0.2 5,-0.2 -0.576 36.3-101.4-101.0 171.1 -14.7 -11.5 3.3 179 181 A A H > S+ 0 0 1 -10,-0.6 4,-2.4 -8,-0.4 5,-0.2 0.903 124.9 53.6 -56.8 -42.3 -13.0 -8.4 4.8 180 182 A M H > S+ 0 0 78 -11,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.901 106.0 54.4 -60.0 -41.0 -13.8 -9.7 8.3 181 183 A D H > S+ 0 0 62 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.925 110.2 45.4 -57.4 -48.1 -12.0 -13.0 7.4 182 184 A Y H X S+ 0 0 7 -4,-2.0 4,-2.2 2,-0.2 6,-0.2 0.917 112.1 49.8 -65.5 -45.9 -8.9 -11.2 6.3 183 185 A A H X>S+ 0 0 0 -4,-2.4 5,-2.6 1,-0.2 4,-0.7 0.919 113.4 47.6 -60.2 -43.9 -8.7 -8.9 9.4 184 186 A N H ><5S+ 0 0 122 -4,-2.3 3,-0.6 -5,-0.2 -1,-0.2 0.922 112.2 48.5 -60.6 -48.0 -9.2 -11.9 11.7 185 187 A Q H 3<5S+ 0 0 104 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.851 115.1 44.9 -60.2 -36.8 -6.5 -14.0 9.9 186 188 A K H 3<5S- 0 0 86 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.518 111.4-117.2 -91.5 -6.3 -4.0 -11.2 10.0 187 189 A G T <<5 + 0 0 52 -4,-0.7 2,-1.9 -3,-0.6 -3,-0.2 0.776 54.3 160.8 74.9 28.6 -4.6 -10.2 13.6 188 190 A Y >< + 0 0 54 -5,-2.6 4,-2.5 -6,-0.2 3,-0.2 -0.534 10.5 175.0 -83.5 75.9 -5.8 -6.7 12.6 189 191 A T H > S+ 0 0 104 -2,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.834 70.9 49.6 -53.7 -46.8 -7.7 -6.1 15.9 190 192 A E H > S+ 0 0 86 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.898 113.2 47.3 -66.3 -39.8 -8.8 -2.5 15.4 191 193 A I H > S+ 0 0 0 -3,-0.2 4,-2.9 -40,-0.2 5,-0.2 0.921 110.3 53.1 -62.8 -44.2 -10.2 -3.3 11.9 192 194 A S H X S+ 0 0 31 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.905 109.3 49.0 -57.5 -42.8 -12.0 -6.4 13.3 193 195 A K H X S+ 0 0 108 -4,-2.1 4,-0.8 2,-0.2 -1,-0.2 0.918 111.1 49.5 -63.5 -45.4 -13.6 -4.3 16.0 194 196 A I H >< S+ 0 0 22 -4,-2.0 3,-1.1 1,-0.2 4,-0.3 0.950 112.8 47.2 -58.1 -49.2 -14.7 -1.6 13.5 195 197 A L H >< S+ 0 0 0 -4,-2.9 3,-1.5 1,-0.3 -2,-0.2 0.867 105.0 59.8 -63.3 -36.7 -16.2 -4.3 11.2 196 198 A A H 3< S+ 0 0 75 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.709 96.5 63.7 -64.2 -21.0 -18.0 -6.0 14.2 197 199 A Q T << S+ 0 0 125 -3,-1.1 2,-0.3 -4,-0.8 -1,-0.3 0.548 100.4 58.2 -82.5 -8.4 -19.9 -2.8 14.8 198 200 A Y < 0 0 47 -3,-1.5 -34,-0.0 -4,-0.3 -35,-0.0 -0.825 360.0 360.0-116.7 158.9 -21.7 -2.8 11.4 199 201 A N 0 0 196 -2,-0.3 -29,-0.1 -29,-0.0 -3,-0.1 0.300 360.0 360.0 -87.5 360.0 -24.0 -5.4 9.8