==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING 15-APR-11 3RJV . COMPND 2 MOLECULE: PUTATIVE SEL1 REPEAT PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: KLEBSIELLA PNEUMONIAE SUBSP. PNEUMONIA . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 208 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10372.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 166 79.8 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 . 2 1.0 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 0.5 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 . 1 0.5 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 . 8 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 122 58.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.9 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 0 0 0 1 0 1 3 1 3 2 0 1 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 . 1 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 20 A E > 0 0 184 0, 0.0 3,-1.6 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 124.6 31.9 37.2 4.8 2 21 A P T 3 + 0 0 50 0, 0.0 23,-0.1 0, 0.0 22,-0.0 -0.395 360.0 7.9 -61.2 134.5 33.3 36.2 8.2 3 22 A G T >> S+ 0 0 3 21,-0.1 3,-1.8 -2,-0.1 4,-1.0 0.662 78.4 146.0 68.0 19.6 33.3 32.4 8.7 4 23 A S H <> + 0 0 77 -3,-1.6 4,-0.5 1,-0.3 3,-0.5 0.850 68.4 63.5 -50.5 -38.6 32.3 31.8 5.0 5 24 A Q H 34 S+ 0 0 124 1,-0.2 -1,-0.3 -4,-0.2 4,-0.2 0.737 109.6 36.8 -59.8 -24.6 34.5 28.7 5.3 6 25 A Y H <> S+ 0 0 69 -3,-1.8 4,-2.5 1,-0.1 -1,-0.2 0.600 91.9 91.9-102.1 -11.0 32.2 27.1 8.0 7 26 A Q H X S+ 0 0 57 -4,-1.0 4,-2.7 -3,-0.5 5,-0.2 0.865 84.1 45.9 -61.7 -48.6 28.8 28.2 6.8 8 27 A Q H X S+ 0 0 165 -4,-0.5 4,-1.7 1,-0.2 -1,-0.2 0.938 117.0 43.4 -62.3 -49.3 27.7 25.3 4.6 9 28 A Q H 4>S+ 0 0 113 -4,-0.2 5,-2.7 2,-0.2 4,-0.4 0.887 114.0 52.7 -62.0 -40.2 28.7 22.5 7.1 10 29 A A H ><5S+ 0 0 1 -4,-2.5 3,-1.5 1,-0.2 -2,-0.2 0.947 110.3 47.0 -61.5 -47.5 27.2 24.5 10.0 11 30 A E H 3<5S+ 0 0 132 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.815 106.8 58.7 -63.7 -30.4 23.9 24.9 8.2 12 31 A A T 3<5S- 0 0 83 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.553 126.0-102.9 -73.2 -11.5 24.1 21.1 7.4 13 32 A G T < 5 + 0 0 31 -3,-1.5 2,-0.6 -4,-0.4 -3,-0.2 0.561 63.7 159.1 101.7 12.0 24.2 20.5 11.2 14 33 A D >< - 0 0 65 -5,-2.7 4,-2.4 1,-0.2 -1,-0.3 -0.583 31.7-152.2 -73.9 114.2 27.9 19.7 11.6 15 34 A R H > S+ 0 0 98 -2,-0.6 4,-2.0 1,-0.2 -1,-0.2 0.873 91.7 47.2 -55.2 -45.2 28.6 20.4 15.3 16 35 A R H > S+ 0 0 65 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.928 111.1 50.3 -67.5 -42.6 32.3 21.3 14.8 17 36 A A H > S+ 0 0 7 2,-0.2 4,-2.6 1,-0.2 -7,-0.2 0.898 108.4 54.4 -59.9 -39.0 31.6 23.7 11.9 18 37 A Q H X S+ 0 0 7 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.920 109.7 48.1 -60.3 -43.0 29.0 25.3 14.1 19 38 A Y H X S+ 0 0 21 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.934 112.1 46.3 -61.3 -52.8 31.6 25.8 16.8 20 39 A Y H X S+ 0 0 93 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.875 112.4 52.1 -63.5 -34.1 34.3 27.3 14.4 21 40 A L H X S+ 0 0 0 -4,-2.6 4,-2.1 -5,-0.2 -2,-0.2 0.949 109.5 49.6 -61.7 -47.6 31.6 29.6 12.9 22 41 A A H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.918 109.6 51.0 -54.6 -49.1 30.7 30.8 16.4 23 42 A D H X S+ 0 0 61 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.867 106.7 55.1 -61.2 -37.4 34.3 31.4 17.2 24 43 A T H X S+ 0 0 24 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.895 107.3 49.7 -60.0 -42.8 34.7 33.5 13.9 25 44 A W H X>S+ 0 0 20 -4,-2.1 5,-2.2 2,-0.2 4,-0.7 0.865 105.8 56.4 -67.4 -33.6 31.8 35.7 15.0 26 45 A V H ><5S+ 0 0 32 -4,-1.9 3,-1.0 1,-0.2 -2,-0.2 0.947 110.2 45.5 -59.5 -45.1 33.4 36.2 18.5 27 46 A S H 3<5S+ 0 0 101 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.859 111.8 51.2 -69.2 -36.9 36.5 37.5 16.7 28 47 A S H 3<5S- 0 0 63 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.506 117.2-115.2 -73.8 -8.7 34.4 39.7 14.3 29 48 A G T <<5S+ 0 0 39 -3,-1.0 2,-0.9 -4,-0.7 -3,-0.2 0.619 77.0 126.9 82.0 15.6 32.6 41.1 17.4 30 49 A D >< + 0 0 43 -5,-2.2 4,-2.1 1,-0.2 -1,-0.2 -0.764 26.8 170.6-100.7 89.2 29.1 39.8 16.6 31 50 A Y H > S+ 0 0 86 -2,-0.9 4,-2.2 1,-0.2 -1,-0.2 0.740 71.8 59.8 -73.3 -22.2 28.4 38.1 19.9 32 51 A Q H > S+ 0 0 158 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.913 109.2 42.2 -71.4 -44.4 24.7 37.4 19.1 33 52 A K H > S+ 0 0 90 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.891 113.1 54.6 -66.3 -38.8 25.6 35.3 16.0 34 53 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 5,-0.3 0.940 109.5 47.4 -56.7 -50.7 28.4 33.7 18.0 35 54 A E H X S+ 0 0 75 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.923 108.8 54.4 -56.6 -48.1 25.9 32.7 20.7 36 55 A Y H X S+ 0 0 119 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.932 114.7 38.7 -53.3 -52.6 23.4 31.4 18.1 37 56 A W H X S+ 0 0 23 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.882 114.2 52.9 -69.6 -38.0 25.9 29.0 16.5 38 57 A A H X S+ 0 0 0 -4,-2.6 4,-2.8 -5,-0.2 -1,-0.2 0.875 107.3 54.1 -69.0 -33.3 27.6 27.9 19.7 39 58 A Q H X S+ 0 0 92 -4,-2.5 4,-2.1 -5,-0.3 -1,-0.2 0.924 106.6 51.4 -62.7 -43.3 24.1 27.0 21.1 40 59 A K H X S+ 0 0 84 -4,-1.6 4,-0.6 1,-0.2 -2,-0.2 0.923 114.1 43.5 -58.3 -45.3 23.5 24.8 18.1 41 60 A A H ><>S+ 0 0 0 -4,-2.2 5,-1.9 1,-0.2 3,-1.0 0.890 111.0 53.8 -66.1 -44.1 26.8 23.0 18.7 42 61 A A H ><5S+ 0 0 19 -4,-2.8 3,-2.1 1,-0.3 -1,-0.2 0.843 99.3 62.8 -59.5 -36.4 26.3 22.8 22.5 43 62 A A H 3<5S+ 0 0 91 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.768 102.8 51.9 -56.7 -30.1 22.9 21.1 21.8 44 63 A Q T <<5S- 0 0 94 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.244 129.0 -98.8 -94.1 10.2 25.0 18.3 20.2 45 64 A G T < 5 + 0 0 46 -3,-2.1 2,-0.6 1,-0.2 -3,-0.2 0.555 63.3 163.7 89.9 12.1 27.2 18.0 23.2 46 65 A D >< - 0 0 1 -5,-1.9 4,-2.0 1,-0.2 -1,-0.2 -0.495 23.7-163.6 -71.2 118.1 30.2 20.1 22.0 47 66 A G H > S+ 0 0 7 -2,-0.6 4,-2.5 32,-0.4 -1,-0.2 0.863 88.5 53.4 -67.4 -39.0 32.4 21.0 24.9 48 67 A D H > S+ 0 0 32 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.897 109.4 50.3 -65.6 -37.3 34.3 23.8 23.1 49 68 A A H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.924 109.2 51.2 -64.9 -42.0 30.9 25.4 22.2 50 69 A L H X S+ 0 0 26 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.914 110.3 50.3 -59.4 -43.9 29.9 25.2 25.9 51 70 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.906 108.9 51.0 -59.1 -42.2 33.2 26.9 26.8 52 71 A L H X S+ 0 0 2 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.928 109.4 50.3 -62.7 -43.7 32.6 29.6 24.2 53 72 A L H X S+ 0 0 17 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.909 109.9 51.4 -62.2 -39.5 29.1 30.2 25.7 54 73 A A H < S+ 0 0 0 -4,-2.5 4,-0.5 1,-0.2 3,-0.4 0.931 108.8 50.5 -60.4 -46.2 30.6 30.4 29.2 55 74 A Q H >< S+ 0 0 77 -4,-2.4 3,-1.2 1,-0.2 4,-0.4 0.871 105.8 56.6 -59.6 -40.4 33.2 33.0 27.9 56 75 A L H >< S+ 0 0 22 -4,-2.3 3,-0.7 1,-0.3 4,-0.3 0.853 100.9 58.0 -61.1 -32.2 30.3 35.1 26.4 57 76 A K T 3< S+ 0 0 71 -4,-1.4 8,-2.7 -3,-0.4 -1,-0.3 0.612 116.6 33.0 -74.2 -14.5 28.7 35.3 29.8 58 77 A I T < S+ 0 0 18 -3,-1.2 -1,-0.2 -4,-0.5 -2,-0.2 0.202 80.1 112.4-122.3 12.9 31.8 36.9 31.4 59 78 A R S < S+ 0 0 132 -3,-0.7 -2,-0.1 -4,-0.4 -3,-0.1 0.821 88.6 39.1 -56.6 -35.5 33.0 38.9 28.4 60 79 A N S > S- 0 0 76 -4,-0.3 3,-1.4 3,-0.2 -1,-0.3 -0.899 74.7-164.1-113.1 101.2 32.1 42.0 30.4 61 80 A P T 3 S+ 0 0 26 0, 0.0 3,-0.3 0, 0.0 5,-0.1 0.607 92.5 53.6 -62.0 -11.1 33.1 41.4 34.1 62 81 A Q T 3 S+ 0 0 131 1,-0.2 -3,-0.0 -3,-0.0 -4,-0.0 0.693 120.6 29.9 -85.4 -28.5 30.8 44.4 35.1 63 82 A Q S < S+ 0 0 166 -3,-1.4 -3,-0.2 -5,-0.0 2,-0.2 -0.487 97.5 132.8-129.5 58.5 27.7 42.9 33.3 64 83 A A - 0 0 33 -3,-0.3 2,-0.3 -6,-0.1 -6,-0.2 -0.570 57.2-143.5-110.8 162.6 28.4 39.2 33.6 65 84 A D > + 0 0 73 -8,-2.7 4,-2.3 -2,-0.2 3,-0.2 -0.716 31.3 168.8-120.7 77.8 26.5 36.1 34.6 66 85 A Y H > S+ 0 0 3 -2,-0.3 4,-2.4 1,-0.2 31,-0.2 0.886 71.5 56.6 -58.5 -42.1 29.5 34.5 36.4 67 86 A P H > S+ 0 0 70 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.897 110.0 42.4 -60.5 -41.4 27.3 31.8 37.9 68 87 A Q H > S+ 0 0 79 -3,-0.2 4,-2.7 2,-0.2 5,-0.2 0.866 110.0 58.7 -73.9 -35.6 25.9 30.5 34.6 69 88 A A H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.920 105.7 51.5 -51.3 -45.6 29.4 30.8 33.1 70 89 A R H X S+ 0 0 50 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.940 109.4 47.2 -60.3 -44.6 30.4 28.4 35.8 71 90 A Q H X S+ 0 0 101 -4,-1.6 4,-2.0 1,-0.2 -2,-0.2 0.924 114.8 46.9 -65.7 -40.1 27.7 25.9 35.0 72 91 A L H X S+ 0 0 22 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.914 112.4 49.9 -64.5 -45.5 28.4 26.1 31.2 73 92 A A H X S+ 0 0 0 -4,-2.9 4,-2.6 2,-0.2 15,-0.2 0.879 108.0 53.1 -65.5 -39.1 32.2 25.7 31.8 74 93 A E H X S+ 0 0 51 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.941 110.5 47.6 -58.9 -42.9 31.6 22.6 34.1 75 94 A K H X S+ 0 0 57 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.904 110.6 52.9 -63.8 -40.1 29.5 21.0 31.3 76 95 A A H <>S+ 0 0 0 -4,-2.4 5,-2.2 2,-0.2 4,-0.3 0.909 110.2 46.9 -58.2 -48.0 32.4 21.9 28.9 77 96 A V H ><5S+ 0 0 37 -4,-2.6 3,-1.6 7,-0.3 -2,-0.2 0.923 111.3 50.8 -63.3 -44.8 35.0 20.2 31.1 78 97 A E H 3<5S+ 0 0 160 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.823 106.0 56.9 -64.6 -29.2 32.7 17.1 31.5 79 98 A A T 3<5S- 0 0 52 -4,-1.9 -32,-0.4 -5,-0.2 -1,-0.3 0.468 126.7-101.6 -77.4 -5.7 32.3 17.0 27.6 80 99 A G T < 5 + 0 0 66 -3,-1.6 2,-0.5 -4,-0.3 -3,-0.2 0.634 68.6 151.0 97.3 18.9 36.2 16.8 27.4 81 100 A S >< - 0 0 5 -5,-2.2 4,-1.3 1,-0.2 -1,-0.2 -0.717 35.2-166.9 -92.8 121.7 37.1 20.4 26.4 82 101 A K H > S+ 0 0 52 -2,-0.5 4,-1.8 2,-0.2 -1,-0.2 0.873 97.4 56.8 -64.5 -39.8 40.4 21.9 27.4 83 102 A S H > S+ 0 0 28 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.885 104.3 55.6 -54.3 -40.7 39.0 25.4 26.4 84 103 A G H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 -7,-0.3 0.884 103.9 52.4 -57.2 -42.5 36.4 24.5 29.0 85 104 A E H X S+ 0 0 25 -4,-1.3 4,-2.1 2,-0.2 -2,-0.2 0.877 109.0 50.2 -62.9 -37.5 39.0 23.9 31.7 86 105 A I H X S+ 0 0 17 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.933 113.2 44.1 -68.7 -46.2 40.5 27.3 31.0 87 106 A V H X S+ 0 0 8 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.905 112.4 53.1 -66.1 -40.6 37.2 29.2 31.2 88 107 A L H X S+ 0 0 7 -4,-2.8 4,-2.6 1,-0.2 3,-0.2 0.931 109.0 49.3 -59.1 -43.7 36.2 27.2 34.3 89 108 A A H X S+ 0 0 0 -4,-2.1 4,-1.2 1,-0.2 -2,-0.2 0.921 107.6 54.4 -60.2 -40.3 39.5 28.2 35.9 90 109 A R H < S+ 0 0 58 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.823 113.3 43.6 -64.8 -30.9 38.8 31.9 35.0 91 110 A V H >< S+ 0 0 0 -4,-1.7 3,-1.8 -3,-0.2 6,-0.4 0.847 107.3 58.2 -75.4 -44.8 35.5 31.6 36.8 92 111 A L H 3< S+ 0 0 2 -4,-2.6 9,-2.5 1,-0.3 -2,-0.2 0.687 103.6 53.1 -68.4 -18.5 36.8 29.8 39.9 93 112 A V T 3< S+ 0 0 7 -4,-1.2 2,-0.6 7,-0.2 -1,-0.3 0.467 95.6 88.0 -86.8 -0.5 39.3 32.6 40.6 94 113 A N X - 0 0 0 -3,-1.8 3,-2.0 1,-0.1 4,-0.3 -0.884 67.3-150.5-111.9 122.2 36.4 35.2 40.5 95 114 A R G > S+ 0 0 153 80,-2.6 3,-0.9 -2,-0.6 -1,-0.1 0.767 95.6 65.1 -57.6 -25.8 34.4 36.0 43.7 96 115 A Q G 3 S+ 0 0 54 1,-0.2 -1,-0.3 78,-0.2 -30,-0.1 0.649 94.6 59.0 -69.9 -15.2 31.4 36.8 41.4 97 116 A A G < S- 0 0 7 -3,-2.0 2,-0.3 1,-0.5 -1,-0.2 0.606 121.2 -78.9 -93.8 -5.0 31.0 33.2 40.2 98 117 A G S < S- 0 0 35 -3,-0.9 -1,-0.5 -4,-0.3 -32,-0.0 -0.798 87.1 -14.2 125.6 179.2 30.6 31.5 43.6 99 118 A A S S- 0 0 87 -2,-0.3 -5,-0.1 -3,-0.1 2,-0.1 -0.319 81.6-114.9 -51.5 131.8 33.0 30.5 46.3 100 119 A T - 0 0 78 -7,-0.1 -7,-0.2 1,-0.1 2,-0.1 -0.410 30.1-175.2 -79.6 152.1 36.5 30.7 44.8 101 120 A D > + 0 0 73 -9,-2.5 4,-2.2 -12,-0.1 3,-0.2 -0.588 11.1 167.1-145.2 79.1 38.8 27.7 44.3 102 121 A V H > S+ 0 0 16 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.878 77.4 57.2 -66.3 -37.7 42.2 28.9 43.0 103 122 A A H > S+ 0 0 59 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.909 108.2 46.4 -60.2 -40.7 43.8 25.5 43.7 104 123 A H H > S+ 0 0 81 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.931 108.7 55.7 -65.9 -43.8 41.3 23.8 41.5 105 124 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.907 105.2 54.1 -50.6 -44.8 41.8 26.5 38.8 106 125 A I H X S+ 0 0 11 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.932 109.6 45.9 -62.6 -43.4 45.5 25.7 38.8 107 126 A T H X S+ 0 0 87 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.913 111.2 52.2 -65.1 -40.0 45.0 22.0 38.2 108 127 A L H X S+ 0 0 9 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.928 112.7 45.5 -60.2 -45.0 42.5 22.6 35.5 109 128 A L H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.886 108.5 55.4 -68.0 -40.3 45.0 24.9 33.8 110 129 A Q H < S+ 0 0 87 -4,-2.5 4,-0.3 2,-0.2 -1,-0.2 0.907 109.8 48.6 -61.3 -36.9 47.9 22.5 34.2 111 130 A D H >< S+ 0 0 45 -4,-2.3 3,-1.7 1,-0.2 4,-0.4 0.956 110.2 49.5 -65.2 -48.1 45.7 19.9 32.4 112 131 A A H 3< S+ 0 0 0 -4,-2.3 3,-0.3 1,-0.3 -1,-0.2 0.795 115.1 46.0 -59.6 -27.9 44.8 22.3 29.6 113 132 A A T 3< S+ 0 0 15 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.376 79.8 104.8 -91.5 0.8 48.6 23.1 29.2 114 133 A R S < S+ 0 0 162 -3,-1.7 2,-1.2 -4,-0.3 -1,-0.2 0.866 75.6 57.6 -62.9 -38.7 49.8 19.4 29.4 115 134 A D S > S- 0 0 85 -4,-0.4 3,-1.8 -3,-0.3 6,-0.4 -0.763 79.7-168.8 -81.7 96.7 50.4 19.4 25.6 116 135 A S T 3 S+ 0 0 73 -2,-1.2 -1,-0.1 1,-0.3 -2,-0.1 0.496 78.2 56.4 -71.4 -6.7 52.8 22.3 25.7 117 136 A E T 3 S+ 0 0 157 -3,-0.0 -1,-0.3 4,-0.0 2,-0.1 0.456 92.7 98.7-100.3 -1.6 53.0 22.8 21.9 118 137 A S S X> S- 0 0 26 -3,-1.8 4,-0.6 -5,-0.1 3,-0.6 -0.332 82.8-113.9 -95.2 166.0 49.2 23.2 21.6 119 138 A D H >> S+ 0 0 134 1,-0.3 3,-1.4 2,-0.2 4,-0.9 0.885 114.4 58.1 -62.2 -41.1 46.7 26.1 21.2 120 139 A A H 3> S+ 0 0 14 1,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.814 97.9 62.6 -60.1 -32.3 45.1 25.3 24.6 121 140 A A H <> S+ 0 0 0 -3,-0.6 4,-2.0 -6,-0.4 -1,-0.3 0.733 93.3 64.1 -66.0 -25.3 48.5 25.8 26.3 122 141 A V H S+ 0 0 1 -4,-2.6 4,-0.8 1,-0.2 5,-0.5 0.942 112.4 43.6 -57.6 -49.9 47.4 33.7 39.1 132 151 A Y H <5S+ 0 0 41 -4,-2.2 9,-2.5 1,-0.2 3,-0.3 0.864 116.8 47.7 -66.3 -32.5 51.0 33.5 40.3 133 152 A A H <5S+ 0 0 0 -4,-2.5 -1,-0.2 7,-0.2 -2,-0.2 0.697 103.9 63.6 -74.2 -23.9 51.5 37.2 39.6 134 153 A S H <5S- 0 0 13 -4,-1.6 -1,-0.2 -3,-0.4 -2,-0.2 0.724 91.3-135.1 -80.9 -29.0 48.3 38.3 41.3 135 154 A G T <5S+ 0 0 29 -4,-0.8 3,-0.3 -3,-0.3 5,-0.1 0.573 72.6 118.4 76.1 10.5 48.9 37.3 44.9 136 155 A V S + 0 0 65 -9,-2.5 4,-2.6 1,-0.1 5,-0.1 -0.776 16.3 170.3-128.1 83.2 55.6 34.5 42.8 142 161 A D H > S+ 0 0 53 -2,-0.4 4,-2.5 2,-0.2 -1,-0.1 0.803 75.1 55.9 -68.4 -31.4 56.7 36.7 39.9 143 162 A V H > S+ 0 0 111 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.946 111.3 43.3 -65.1 -46.0 59.6 34.4 38.9 144 163 A K H > S+ 0 0 69 2,-0.2 4,-1.8 1,-0.2 3,-0.3 0.930 112.6 53.6 -62.8 -43.5 57.1 31.4 38.5 145 164 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.928 105.3 54.7 -56.0 -43.1 54.7 33.7 36.7 146 165 A S H X S+ 0 0 27 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.847 104.3 54.3 -59.9 -37.8 57.4 34.8 34.3 147 166 A E H X S+ 0 0 130 -4,-1.5 4,-2.0 -3,-0.3 -1,-0.2 0.900 110.5 46.0 -61.9 -45.9 58.1 31.1 33.4 148 167 A Y H X S+ 0 0 38 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.918 112.4 49.7 -64.6 -41.5 54.4 30.6 32.5 149 168 A F H X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 12,-0.3 0.907 109.4 52.6 -66.0 -39.7 54.2 33.8 30.5 150 169 A K H X S+ 0 0 93 -4,-2.6 4,-1.9 -5,-0.2 -1,-0.2 0.900 109.0 49.8 -59.6 -41.8 57.4 32.8 28.6 151 170 A G H X S+ 0 0 16 -4,-2.0 4,-1.0 2,-0.2 -2,-0.2 0.942 113.4 46.0 -60.8 -48.1 55.8 29.4 27.8 152 171 A S H >< S+ 0 0 0 -4,-2.5 3,-0.7 1,-0.2 4,-0.2 0.935 114.9 46.8 -60.2 -47.9 52.6 31.1 26.5 153 172 A S H >< S+ 0 0 2 -4,-3.0 3,-1.0 1,-0.2 -1,-0.2 0.791 103.9 61.7 -63.5 -31.5 54.6 33.7 24.5 154 173 A S H 3< S+ 0 0 88 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.771 107.9 44.5 -69.6 -26.4 56.8 31.1 23.0 155 174 A L T << S+ 0 0 48 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.397 133.7 15.2 -88.5 -4.8 53.7 29.5 21.4 156 175 A S S < S- 0 0 51 -3,-1.0 2,-0.4 -4,-0.2 -3,-0.2 0.388 125.8 -27.3-134.0 -96.9 52.4 32.9 20.3 157 176 A R > - 0 0 136 -5,-0.1 3,-2.2 39,-0.0 4,-0.5 -0.998 67.9-104.0-133.1 136.2 54.5 36.1 20.2 158 177 A T T 3 S+ 0 0 80 -2,-0.4 -8,-0.1 1,-0.3 -4,-0.1 -0.295 106.6 10.1 -59.3 130.7 57.5 36.7 22.4 159 178 A G T 3> S+ 0 0 0 -10,-0.1 4,-1.7 36,-0.1 -1,-0.3 0.332 98.7 109.0 83.9 -7.9 56.6 39.2 25.2 160 179 A Y H <> S+ 0 0 61 -3,-2.2 4,-2.9 2,-0.2 5,-0.2 0.936 73.8 49.8 -69.6 -50.0 52.9 39.0 24.4 161 180 A A H > S+ 0 0 0 -4,-0.5 4,-2.3 -12,-0.3 -1,-0.2 0.890 112.4 50.5 -55.8 -39.6 51.7 37.1 27.4 162 181 A E H > S+ 0 0 1 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.879 109.2 50.3 -66.1 -40.9 53.6 39.5 29.6 163 182 A Y H X S+ 0 0 45 -4,-1.7 4,-2.5 2,-0.2 5,-0.2 0.940 109.5 51.2 -60.2 -49.6 52.0 42.5 27.9 164 183 A W H X S+ 0 0 44 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.916 110.6 49.5 -54.4 -43.5 48.5 40.9 28.4 165 184 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.920 108.8 52.4 -63.8 -43.4 49.3 40.5 32.1 166 185 A G H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.928 111.1 46.5 -56.1 -46.0 50.5 44.1 32.3 167 186 A X H X S+ 0 0 22 -4,-2.5 4,-2.7 2,-0.2 5,-0.3 0.824 108.2 56.4 -67.7 -33.5 47.2 45.3 30.8 168 187 A X H X S+ 0 0 13 -4,-2.2 4,-2.7 -5,-0.2 -1,-0.2 0.924 110.4 45.3 -63.5 -43.9 45.2 43.0 33.1 169 188 A F H < S+ 0 0 3 -4,-2.5 11,-2.9 2,-0.2 -2,-0.2 0.843 113.2 50.3 -66.9 -33.3 46.8 44.7 36.1 170 189 A Q H < S+ 0 0 53 -4,-1.8 -2,-0.2 9,-0.2 -1,-0.2 0.947 124.6 27.4 -66.5 -49.6 46.3 48.2 34.6 171 190 A Q H < S- 0 0 132 -4,-2.7 -2,-0.2 -5,-0.1 -3,-0.2 0.738 99.0-148.5 -84.8 -32.7 42.6 47.6 33.9 172 191 A G < - 0 0 17 -4,-2.7 2,-0.3 -5,-0.3 6,-0.2 0.012 10.7-115.3 77.2 167.2 41.7 45.1 36.6 173 192 A E B >> -A 177 0A 19 4,-2.7 3,-2.6 -4,-0.1 4,-1.7 -0.889 33.8-116.7-141.6 109.9 39.1 42.3 36.3 174 193 A K T 34 S+ 0 0 87 -2,-0.3 -78,-0.2 1,-0.3 4,-0.1 -0.196 99.1 16.3 -57.1 131.4 36.3 42.8 38.7 175 194 A G T 34 S+ 0 0 14 1,-0.1 -80,-2.6 -80,-0.1 -1,-0.3 0.225 135.3 39.0 92.4 -9.7 36.1 39.9 41.2 176 195 A F T <4 S+ 0 0 16 -3,-2.6 2,-0.5 1,-0.3 -2,-0.2 0.608 112.2 30.5-131.9 -66.0 39.7 38.7 40.4 177 196 A I B < -A 173 0A 10 -4,-1.7 -4,-2.7 -9,-0.1 -1,-0.3 -0.932 61.6-149.5-112.3 120.2 42.4 41.4 39.8 178 197 A E - 0 0 161 -2,-0.5 -6,-0.2 -6,-0.2 -7,-0.1 -0.676 42.5 -94.7 -74.5 139.6 42.3 44.8 41.5 179 198 A P - 0 0 84 0, 0.0 2,-0.3 0, 0.0 -9,-0.2 -0.295 49.8-179.0 -55.0 137.1 43.9 47.5 39.3 180 199 A N > - 0 0 56 -11,-2.9 4,-2.3 1,-0.1 5,-0.1 -0.875 20.4-167.5-148.1 105.3 47.6 47.8 40.3 181 200 A K H > S+ 0 0 132 -2,-0.3 4,-2.7 2,-0.2 5,-0.2 0.877 89.8 55.2 -64.3 -37.4 49.9 50.3 38.5 182 201 A Q H > S+ 0 0 159 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.904 112.0 42.5 -62.8 -48.0 53.1 48.8 40.1 183 202 A K H > S+ 0 0 23 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.892 111.5 55.7 -67.1 -38.6 52.3 45.3 38.8 184 203 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 -15,-0.2 -2,-0.2 0.950 111.1 44.2 -56.9 -49.5 51.2 46.8 35.4 185 204 A L H X S+ 0 0 34 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.878 109.9 56.2 -65.4 -38.6 54.6 48.5 35.0 186 205 A H H X S+ 0 0 76 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.946 113.8 38.9 -55.4 -52.6 56.5 45.4 36.2 187 206 A W H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.856 113.8 52.7 -76.4 -32.8 54.9 43.2 33.5 188 207 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 -5,-0.3 -1,-0.2 0.882 108.9 52.7 -65.7 -38.0 55.0 45.8 30.7 189 208 A N H X S+ 0 0 64 -4,-2.3 4,-2.6 -5,-0.2 -2,-0.2 0.943 110.0 47.5 -58.2 -48.2 58.7 46.2 31.5 190 209 A V H X S+ 0 0 26 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.934 111.3 51.5 -57.5 -47.0 59.2 42.4 31.1 191 210 A S H X>S+ 0 0 0 -4,-2.6 5,-2.3 1,-0.2 4,-0.8 0.942 110.5 48.2 -55.6 -49.3 57.2 42.5 27.9 192 211 A a H ><5S+ 0 0 32 -4,-2.8 3,-1.3 1,-0.2 -1,-0.2 0.942 111.5 49.1 -55.4 -49.3 59.4 45.3 26.5 193 212 A L H 3<5S+ 0 0 128 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.736 105.2 58.0 -70.2 -21.7 62.6 43.5 27.5 194 213 A E H 3<5S- 0 0 63 -4,-1.8 -1,-0.3 -3,-0.3 -2,-0.2 0.659 128.8 -99.0 -75.3 -17.8 61.4 40.3 25.8 195 214 A G T <<5S+ 0 0 52 -3,-1.3 2,-0.9 -4,-0.8 -3,-0.2 0.553 78.3 136.8 110.0 18.7 61.1 42.3 22.6 196 215 A F >>< - 0 0 28 -5,-2.3 3,-1.3 -6,-0.2 4,-1.1 -0.806 36.9-162.6 -95.2 102.0 57.4 43.3 22.4 197 216 A D H 3> S+ 0 0 115 -2,-0.9 4,-2.3 1,-0.3 -1,-0.2 0.822 85.7 61.9 -61.1 -33.6 57.4 46.9 21.4 198 217 A T H 3> S+ 0 0 53 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.851 101.3 56.8 -58.2 -33.5 53.8 47.6 22.4 199 218 A G H <> S+ 0 0 0 -3,-1.3 4,-2.3 2,-0.2 -1,-0.2 0.922 105.9 47.9 -59.9 -47.8 55.0 46.7 25.9 200 219 A a H X S+ 0 0 28 -4,-1.1 4,-2.5 2,-0.2 -2,-0.2 0.918 111.6 51.3 -59.0 -44.1 57.7 49.4 25.8 201 220 A E H X S+ 0 0 123 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.936 113.1 43.0 -63.3 -47.8 55.1 52.0 24.5 202 221 A E H X S+ 0 0 32 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.840 111.6 55.1 -66.6 -37.3 52.5 51.3 27.3 203 222 A F H X S+ 0 0 57 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.958 112.0 44.1 -55.4 -52.8 55.3 51.2 29.9 204 223 A D H X S+ 0 0 103 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.913 114.6 49.8 -58.0 -45.8 56.4 54.7 28.8 205 224 A R H < S+ 0 0 136 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.961 113.5 43.2 -60.2 -55.1 52.8 55.9 28.6 206 225 A I H < S+ 0 0 20 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.809 114.3 52.6 -64.5 -32.5 51.8 54.7 32.1 207 226 A S H < 0 0 60 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.901 360.0 360.0 -65.4 -43.3 55.1 56.0 33.5 208 227 A K < 0 0 124 -4,-2.3 -3,-0.1 -3,-0.2 -4,-0.0 0.519 360.0 360.0 -99.8 360.0 54.6 59.5 32.0