==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BLOOD CLOTTING 25-NOV-99 1DGU . COMPND 2 MOLECULE: CALCIUM-SATURATED CIB; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.M.HWANG,H.J.VOGEL . 183 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11731.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 120 65.6 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 . 4 2.2 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 . 0 0.0 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 . 25 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 40.4 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+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 0 0 2 0 0 1 2 0 1 0 0 0 1 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 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 ANTIPARALLEL 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 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 1 A S 0 0 1 0, 0.0 40,-0.1 0, 0.0 26,-0.0 0.000 360.0 360.0 360.0 -72.2 65.2 10.3 73.9 2 2 A K + 0 0 88 36,-0.1 2,-0.2 24,-0.0 25,-0.0 0.837 360.0 63.2 -71.6 -34.9 62.3 7.7 74.0 3 3 A E S S- 0 0 67 3,-0.0 2,-0.7 1,-0.0 3,-0.1 -0.643 73.4-141.0 -84.6 150.3 62.7 6.8 77.8 4 4 A L S S+ 0 0 100 -2,-0.2 3,-0.1 1,-0.1 -2,-0.0 -0.630 81.5 68.9-105.5 71.8 62.1 9.3 80.8 5 5 A L + 0 0 151 -2,-0.7 2,-1.2 1,-0.1 3,-0.3 0.487 60.5 89.0-146.9 -59.4 65.0 8.0 83.1 6 6 A A S S- 0 0 50 1,-0.2 -1,-0.1 -3,-0.1 -3,-0.0 -0.457 105.0 -53.6 -81.1 93.1 68.8 8.6 82.1 7 7 A E - 0 0 179 -2,-1.2 2,-1.3 1,-0.2 -1,-0.2 0.914 60.1-168.3 54.1 62.2 70.2 12.0 83.4 8 8 A Y - 0 0 56 -3,-0.3 2,-1.5 1,-0.1 -1,-0.2 -0.609 4.6-164.7 -86.1 91.3 67.7 14.7 82.1 9 9 A Q + 0 0 150 -2,-1.3 2,-0.2 1,-0.1 76,-0.1 -0.563 32.7 145.6 -74.1 86.0 69.4 18.2 82.7 10 10 A D + 0 0 32 -2,-1.5 2,-1.3 2,-0.1 -1,-0.1 -0.602 22.8 173.1-132.5 75.5 66.3 20.4 82.2 11 11 A L + 0 0 175 -2,-0.2 2,-0.3 2,-0.1 -2,-0.1 -0.672 46.0 150.4 -76.3 90.0 66.2 23.6 84.4 12 12 A T - 0 0 36 -2,-1.3 73,-0.1 2,-0.2 -2,-0.1 -0.882 67.5-116.1-140.9 154.6 63.1 24.7 82.5 13 13 A F S S+ 0 0 76 -2,-0.3 2,-0.5 72,-0.1 81,-0.1 0.046 81.2 104.1 -83.1 29.2 59.7 26.6 82.4 14 14 A L - 0 0 15 77,-0.1 -2,-0.2 -2,-0.1 74,-0.0 -0.944 58.8-148.5-118.0 120.0 57.6 23.3 81.8 15 15 A T > - 0 0 91 -2,-0.5 4,-2.2 1,-0.1 5,-0.2 -0.233 44.2 -82.2 -69.4 168.9 55.5 21.6 84.7 16 16 A K H > S+ 0 0 196 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.807 130.4 43.1 -47.7 -41.1 55.0 17.7 84.8 17 17 A Q H > S+ 0 0 105 2,-0.2 4,-2.9 3,-0.1 -1,-0.2 0.885 110.7 54.1 -74.2 -41.4 52.0 17.8 82.2 18 18 A E H > S+ 0 0 61 -3,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.903 110.4 48.7 -56.1 -43.5 53.7 20.3 79.7 19 19 A I H X S+ 0 0 46 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.919 111.5 49.7 -56.3 -50.5 56.8 17.9 79.6 20 20 A L H X S+ 0 0 64 -4,-1.5 4,-2.1 -5,-0.2 -2,-0.2 0.942 113.1 45.7 -58.0 -47.7 54.3 14.9 79.0 21 21 A L H X S+ 0 0 61 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.963 115.0 47.3 -56.2 -53.5 52.5 16.8 76.1 22 22 A A H X S+ 0 0 2 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.880 109.4 54.9 -53.4 -41.6 56.0 17.9 74.6 23 23 A H H X S+ 0 0 21 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.896 107.2 49.8 -57.4 -42.3 57.2 14.2 75.0 24 24 A R H X S+ 0 0 134 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.895 111.2 49.3 -61.8 -42.3 54.1 13.1 72.9 25 25 A R H X S+ 0 0 89 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.977 112.0 47.9 -55.6 -57.1 55.1 15.8 70.2 26 26 A F H X S+ 0 0 0 -4,-2.9 4,-1.4 2,-0.2 -2,-0.2 0.834 109.8 54.6 -48.0 -40.6 58.7 14.4 70.3 27 27 A C H < S+ 0 0 27 -4,-2.1 3,-0.4 2,-0.2 -2,-0.2 0.951 110.0 43.9 -62.5 -50.9 57.2 10.8 69.9 28 28 A E H < S+ 0 0 156 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.907 116.4 50.2 -55.4 -44.4 55.2 11.8 66.7 29 29 A L H < S+ 0 0 37 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.757 102.8 66.8 -57.5 -33.0 58.4 13.6 65.5 30 30 A L S < S+ 0 0 0 -4,-1.4 2,-0.9 -3,-0.4 4,-0.5 0.790 78.9 70.4 -64.8 -46.7 60.8 10.5 66.2 31 31 A P + 0 0 37 0, 0.0 4,-0.2 0, 0.0 -1,-0.1 -0.628 66.6 75.3-106.3 86.9 60.0 7.4 63.8 32 32 A Q S > S+ 0 0 93 -2,-0.9 3,-0.6 -3,-0.1 4,-0.1 0.370 101.7 36.9-133.7 -58.6 60.9 7.6 60.0 33 33 A E T 3 S+ 0 0 75 1,-0.3 2,-0.7 -3,-0.2 -3,-0.0 0.943 135.6 30.9 -61.4 -45.7 64.8 7.1 59.7 34 34 A Q T 3 S+ 0 0 10 -4,-0.5 -1,-0.3 1,-0.2 -2,-0.0 -0.839 92.4 174.5 -96.7 89.2 64.5 4.7 62.7 35 35 A R < - 0 0 183 -2,-0.7 -1,-0.2 -3,-0.6 -2,-0.1 0.957 66.3 -4.4 -68.6 -58.8 60.9 3.6 61.6 36 36 A S S S+ 0 0 115 1,-0.2 2,-0.6 -4,-0.1 -2,-0.1 0.839 125.8 56.6-100.8 -57.7 59.8 0.6 64.0 37 37 A V S S- 0 0 118 1,-0.1 2,-1.5 -6,-0.0 -1,-0.2 -0.686 73.7-147.3 -81.2 116.0 62.8 -0.2 66.3 38 38 A E + 0 0 44 -2,-0.6 3,-0.1 1,-0.2 -36,-0.1 -0.599 42.1 145.9 -85.5 83.6 64.0 3.0 68.2 39 39 A S + 0 0 98 -2,-1.5 2,-1.1 1,-0.2 -1,-0.2 0.901 52.9 57.3 -91.9 -48.6 67.8 2.3 68.4 40 40 A S > + 0 0 41 1,-0.2 4,-1.4 3,-0.0 3,-0.4 -0.710 62.3 164.8 -90.2 90.6 69.7 5.7 68.2 41 41 A L T 4 + 0 0 51 -2,-1.1 2,-2.0 1,-0.2 -1,-0.2 0.999 69.0 38.5 -76.0 -69.9 68.3 7.7 71.2 42 42 A R T 4 S+ 0 0 101 1,-0.2 -1,-0.2 37,-0.1 3,-0.1 -0.398 121.2 49.3 -80.7 65.5 70.7 10.8 71.9 43 43 A A T 4 S+ 0 0 22 -2,-2.0 34,-2.6 1,-0.6 2,-0.5 0.164 92.9 83.4-169.4 -59.9 71.2 11.2 68.0 44 44 A Q < + 0 0 27 -4,-1.4 -1,-0.6 32,-0.2 32,-0.1 -0.814 47.3 83.5 -86.0 125.2 67.7 11.2 66.4 45 45 A V S S+ 0 0 0 -2,-0.5 33,-2.0 34,-0.2 2,-0.1 -0.057 72.3 177.1 -99.1 123.7 65.6 13.7 66.1 46 46 A P >> - 0 0 2 0, 0.0 4,-1.9 0, 0.0 3,-0.5 -0.494 46.6-103.6 -93.9 167.8 67.5 14.9 62.9 47 47 A F H 3> S+ 0 0 47 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.858 120.3 60.9 -53.9 -37.9 66.9 17.8 60.3 48 48 A E H 3> S+ 0 0 92 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.896 108.8 43.3 -50.1 -46.1 65.5 15.1 57.8 49 49 A Q H <4 S+ 0 0 11 -3,-0.5 4,-0.3 2,-0.2 -2,-0.2 0.799 114.4 48.8 -74.2 -32.5 62.7 14.3 60.4 50 50 A I H >< S+ 0 0 11 -4,-1.9 3,-1.1 1,-0.2 -2,-0.2 0.953 111.2 50.8 -65.0 -52.4 62.1 18.1 61.2 51 51 A L H 3< S+ 0 0 100 -4,-3.2 -2,-0.2 1,-0.2 5,-0.2 0.671 92.4 84.3 -53.8 -19.0 61.9 18.8 57.3 52 52 A S T 3< S+ 0 0 55 -4,-0.5 -1,-0.2 -5,-0.2 -2,-0.1 0.808 77.4 71.7 -54.3 -39.3 59.3 15.8 57.1 53 53 A L S X S- 0 0 68 -3,-1.1 3,-1.5 -4,-0.3 -24,-0.0 -0.633 91.1-102.4 -93.6 145.4 56.1 17.9 58.1 54 54 A P T 3 S+ 0 0 122 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 0.655 108.7 39.9 -26.6 -70.4 54.2 20.7 55.9 55 55 A E T 3 S+ 0 0 179 1,-0.2 2,-0.1 2,-0.1 -4,-0.1 0.117 92.7 86.4 -84.7 27.7 55.2 24.3 57.1 56 56 A L S < S+ 0 0 31 -3,-1.5 -1,-0.2 -5,-0.2 -3,-0.0 -0.394 74.7 76.3-111.8 54.0 58.9 23.4 57.7 57 57 A K S S+ 0 0 135 -3,-0.1 2,-0.6 -2,-0.1 -2,-0.1 0.627 98.0 28.1-130.2 -74.7 59.9 24.2 54.0 58 58 A A S S+ 0 0 91 3,-0.0 3,-0.1 4,-0.0 -2,-0.0 -0.371 88.2 112.4 -89.8 55.2 60.1 28.0 53.3 59 59 A N > - 0 0 70 -2,-0.6 3,-2.1 1,-0.1 68,-0.1 -0.900 54.7-164.1-112.6 92.8 61.0 28.8 56.9 60 60 A P T 3 S+ 0 0 32 0, 0.0 4,-0.3 0, 0.0 3,-0.2 0.703 83.8 55.5 -57.2 -19.8 64.7 30.1 56.3 61 61 A F T 3> S+ 0 0 61 1,-0.1 4,-2.9 2,-0.1 5,-0.2 0.357 75.4 98.5 -91.5 5.0 65.6 29.7 60.1 62 62 A K H <> S+ 0 0 53 -3,-2.1 4,-2.2 2,-0.2 -1,-0.1 0.926 89.2 42.2 -64.1 -43.2 64.6 25.9 60.5 63 63 A E H > S+ 0 0 62 -3,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.856 115.9 51.7 -65.4 -33.0 68.2 24.6 60.2 64 64 A R H > S+ 0 0 9 -4,-0.3 4,-2.3 2,-0.2 5,-0.2 0.961 109.0 49.1 -62.2 -50.7 69.4 27.6 62.4 65 65 A I H X S+ 0 0 29 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.961 111.6 50.3 -51.7 -55.8 66.7 26.6 65.1 66 66 A C H X S+ 0 0 1 -4,-2.2 4,-1.9 1,-0.2 5,-0.5 0.878 111.0 49.1 -43.4 -50.8 68.0 22.9 64.9 67 67 A R H < S+ 0 0 114 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.863 113.3 44.4 -65.0 -40.7 71.7 24.1 65.4 68 68 A V H < S+ 0 0 28 -4,-2.3 -2,-0.2 -3,-0.2 -1,-0.2 0.902 112.8 54.9 -66.4 -43.7 71.0 26.4 68.5 69 69 A F H < S- 0 0 26 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.1 0.877 134.2 -46.5 -50.9 -52.7 68.7 23.5 70.0 70 70 A S S < S+ 0 0 40 -4,-1.9 -3,-0.1 -5,-0.2 7,-0.1 0.355 88.4 113.8-124.3 -69.1 71.5 20.7 69.9 71 71 A T + 0 0 8 -5,-0.5 -4,-0.1 2,-0.1 -3,-0.1 -0.022 8.3 149.1 -89.9 -65.2 73.5 20.0 67.2 72 72 A S S S+ 0 0 123 -5,-0.2 -1,-0.1 -2,-0.0 5,-0.1 -0.791 77.6 40.5 75.9-101.9 77.4 20.2 66.5 73 73 A P S S- 0 0 75 0, 0.0 2,-0.1 0, 0.0 -2,-0.1 -0.299 100.5 -85.2 -75.4 162.9 78.0 17.2 63.9 74 74 A A S S+ 0 0 79 1,-0.2 2,-0.9 -28,-0.0 3,-0.1 -0.402 105.8 2.4 -69.1 135.1 75.6 16.2 61.0 75 75 A K S S+ 0 0 103 -2,-0.1 2,-1.3 1,-0.1 -1,-0.2 -0.186 105.0 94.4 77.8 -39.4 72.6 13.8 61.8 76 76 A D + 0 0 74 -2,-0.9 -32,-0.2 1,-0.1 -1,-0.1 -0.693 66.2 125.1 -73.9 91.7 73.5 13.6 65.6 77 77 A S + 0 0 2 -34,-2.6 2,-1.3 -2,-1.3 5,-0.1 0.301 46.0 18.8-128.4-120.9 71.0 16.5 66.5 78 78 A L - 0 0 0 -33,-2.0 -35,-0.1 4,-0.1 -1,-0.1 -0.481 56.7-178.3 -84.1 93.5 67.9 17.2 68.7 79 79 A S > - 0 0 6 -2,-1.3 4,-3.6 -37,-0.1 -34,-0.2 -0.314 45.5 -97.0 -68.6 164.9 67.6 14.7 71.7 80 80 A F H > S+ 0 0 2 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.860 125.2 52.8 -58.2 -39.2 64.6 15.0 74.2 81 81 A E H > S+ 0 0 30 2,-0.2 4,-2.5 1,-0.2 3,-0.3 0.956 114.6 41.9 -57.3 -51.8 66.7 17.0 76.8 82 82 A D H > S+ 0 0 42 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.955 110.4 61.6 -50.8 -51.5 67.6 19.5 74.0 83 83 A F H X S+ 0 0 18 -4,-3.6 4,-0.8 1,-0.2 -2,-0.2 0.775 112.7 34.1 -43.8 -43.3 63.9 19.1 72.9 84 84 A L H X S+ 0 0 7 -4,-1.9 4,-2.4 -3,-0.3 -2,-0.2 0.928 114.2 55.6 -79.7 -53.9 62.7 20.5 76.3 85 85 A D H X S+ 0 0 55 -4,-2.5 4,-0.8 1,-0.2 -2,-0.2 0.860 109.1 50.7 -47.2 -43.9 65.5 23.1 77.0 86 86 A L H >X S+ 0 0 14 -4,-2.4 3,-0.8 2,-0.2 4,-0.7 0.932 112.2 40.7 -55.1 -60.4 64.8 24.8 73.5 87 87 A L H >X S+ 0 0 26 -4,-0.8 4,-1.2 1,-0.2 3,-0.6 0.855 105.2 68.2 -70.3 -33.8 61.0 25.4 73.7 88 88 A S H 3< S+ 0 0 6 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.814 94.5 57.6 -42.7 -39.4 61.5 26.4 77.4 89 89 A V H << S+ 0 0 14 -3,-0.8 -1,-0.2 -4,-0.8 -2,-0.2 0.880 114.4 37.3 -57.2 -41.7 63.3 29.5 75.9 90 90 A F H << S+ 0 0 41 -4,-0.7 91,-2.0 -3,-0.6 -2,-0.2 0.461 94.8 116.0 -89.8 -5.3 60.0 30.3 73.9 91 91 A S S >< S- 0 0 7 -4,-1.2 3,-1.5 89,-0.2 2,-0.2 -0.309 77.3-105.4 -58.4 144.3 57.6 29.3 76.8 92 92 A D T 3 S+ 0 0 133 1,-0.2 3,-0.1 89,-0.2 -1,-0.1 -0.582 115.6 41.6 -67.7 137.0 55.2 31.8 78.5 93 93 A T T 3 S+ 0 0 116 1,-0.3 -1,-0.2 -2,-0.2 2,-0.1 -0.163 91.2 121.6 94.1 -32.5 56.9 32.5 82.0 94 94 A A < - 0 0 8 -3,-1.5 -1,-0.3 1,-0.1 -5,-0.1 -0.329 67.5-107.6 -68.7 144.6 60.4 32.5 80.2 95 95 A T > - 0 0 68 1,-0.1 4,-1.4 -3,-0.1 3,-0.3 -0.386 12.6-122.8 -79.0 147.6 62.5 35.7 80.5 96 96 A P H > S+ 0 0 45 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.849 110.9 58.9 -52.6 -35.8 63.2 38.5 77.7 97 97 A D H > S+ 0 0 81 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.934 103.0 49.2 -60.4 -49.0 67.1 37.9 78.2 98 98 A I H > S+ 0 0 56 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.863 113.8 48.7 -59.4 -33.5 66.9 34.1 77.3 99 99 A K H X S+ 0 0 16 -4,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.922 112.3 46.3 -69.0 -48.0 64.8 35.1 74.1 100 100 A S H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.886 111.2 54.0 -57.4 -41.6 67.3 37.9 73.0 101 101 A H H X S+ 0 0 56 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.935 109.0 48.1 -55.5 -48.3 70.2 35.3 73.7 102 102 A Y H X S+ 0 0 11 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.940 109.9 52.1 -55.6 -49.3 68.4 32.9 71.2 103 103 A A H X S+ 0 0 12 -4,-2.5 4,-1.1 2,-0.2 3,-0.4 0.930 108.9 50.7 -52.1 -47.5 68.0 35.8 68.7 104 104 A F H X S+ 0 0 4 -4,-2.7 4,-2.8 1,-0.2 3,-0.5 0.920 107.1 54.5 -49.1 -49.9 71.9 36.4 69.0 105 105 A R H < S+ 0 0 92 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.738 97.9 62.2 -66.0 -23.6 72.5 32.6 68.4 106 106 A I H < S+ 0 0 10 -4,-1.5 -1,-0.2 -3,-0.4 -2,-0.2 0.917 115.4 34.2 -59.8 -42.6 70.5 32.8 65.0 107 107 A F H < S+ 0 0 55 -4,-1.1 2,-1.6 -3,-0.5 -2,-0.2 0.875 106.1 74.1 -78.2 -41.4 73.2 35.3 63.8 108 108 A D >< + 0 0 4 -4,-2.8 3,-1.0 1,-0.2 -1,-0.2 -0.557 63.2 176.0 -75.6 84.9 76.2 33.6 65.7 109 109 A F T 3 S+ 0 0 49 -2,-1.6 -1,-0.2 1,-0.2 6,-0.1 0.950 75.6 40.7 -57.1 -61.5 76.6 30.5 63.4 110 110 A D T 3 S- 0 0 96 4,-0.2 -1,-0.2 1,-0.1 -2,-0.1 0.359 104.0-127.4 -72.3 7.1 79.7 28.9 65.0 111 111 A D < + 0 0 84 -3,-1.0 -2,-0.1 -6,-0.2 -1,-0.1 0.587 66.0 134.5 56.1 20.4 78.4 29.7 68.7 112 112 A D S S- 0 0 86 2,-0.2 -1,-0.1 1,-0.1 3,-0.1 0.304 81.3-100.5 -76.1 8.7 81.7 31.5 69.8 113 113 A G S S+ 0 0 36 -5,-0.1 49,-0.8 1,-0.1 2,-0.4 0.440 94.6 90.6 80.7 0.8 79.9 34.5 71.4 114 114 A T E -A 161 0A 32 47,-0.2 2,-1.0 48,-0.1 47,-0.2 -0.987 66.7-140.4-136.6 129.5 80.5 37.0 68.4 115 115 A L E -A 160 0A 4 45,-3.3 45,-2.6 -2,-0.4 2,-0.1 -0.726 30.6-162.0 -78.6 101.1 78.5 37.9 65.2 116 116 A N E > -A 159 0A 45 -2,-1.0 4,-2.6 43,-0.2 5,-0.2 -0.488 31.0-106.6 -78.5 157.9 81.2 38.2 62.5 117 117 A R H > S+ 0 0 154 41,-0.5 4,-2.1 1,-0.2 5,-0.2 0.924 120.1 50.1 -51.5 -46.8 80.6 40.0 59.1 118 118 A E H > S+ 0 0 118 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.947 112.1 47.1 -56.2 -50.8 80.5 36.7 57.1 119 119 A D H > S+ 0 0 13 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.914 111.5 50.4 -61.2 -43.8 77.9 35.0 59.6 120 120 A L H X S+ 0 0 19 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.898 113.8 47.4 -55.1 -39.4 75.6 38.2 59.5 121 121 A S H X S+ 0 0 27 -4,-2.1 4,-2.8 -5,-0.2 -2,-0.2 0.936 113.0 47.0 -66.1 -48.7 75.8 38.0 55.6 122 122 A R H X S+ 0 0 135 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.910 115.3 45.8 -64.1 -45.1 75.0 34.2 55.5 123 123 A L H X S+ 0 0 3 -4,-2.7 4,-1.4 -16,-0.2 -2,-0.2 0.957 117.0 43.6 -55.8 -57.3 72.0 34.5 58.0 124 124 A V H X S+ 0 0 43 -4,-2.1 4,-3.1 -5,-0.2 3,-0.4 0.937 113.2 51.1 -63.3 -44.5 70.5 37.7 56.2 125 125 A N H X S+ 0 0 83 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.877 104.5 59.8 -51.5 -42.5 71.0 36.1 52.6 126 126 A C H < S+ 0 0 61 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.878 117.6 30.0 -54.2 -41.6 69.2 32.9 54.0 127 127 A L H < S+ 0 0 85 -4,-1.4 -2,-0.2 -3,-0.4 3,-0.2 0.818 124.0 47.1 -83.5 -37.5 66.0 35.0 54.7 128 128 A T H < S+ 0 0 32 -4,-3.1 2,-1.6 1,-0.2 3,-0.2 0.856 97.8 70.3 -77.7 -36.9 66.4 37.8 51.9 129 129 A G S < S+ 0 0 45 -4,-2.4 -1,-0.2 -5,-0.3 -4,-0.1 -0.394 80.1 81.0 -79.1 64.4 67.2 35.4 48.9 130 130 A E S S+ 0 0 92 -2,-1.6 2,-1.3 -3,-0.2 -1,-0.2 0.585 84.6 42.8-127.8 -69.0 63.6 33.8 48.6 131 131 A G S S- 0 0 68 -3,-0.2 -2,-0.0 1,-0.2 -3,-0.0 -0.455 131.3 -58.7 -86.9 67.3 61.1 36.1 46.6 132 132 A E - 0 0 168 -2,-1.3 2,-1.5 1,-0.2 -1,-0.2 0.971 56.2-165.0 63.4 67.1 63.4 37.3 43.7 133 133 A D - 0 0 44 4,-0.1 -1,-0.2 3,-0.0 5,-0.1 -0.595 17.7-163.4 -78.9 86.7 66.5 39.1 45.2 134 134 A T > - 0 0 105 -2,-1.5 4,-2.0 1,-0.1 3,-0.3 -0.230 37.2 -85.6 -68.4 161.5 67.8 40.9 42.0 135 135 A R H > S+ 0 0 226 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.761 129.5 44.8 -46.6 -41.0 71.5 42.4 41.8 136 136 A L H > S+ 0 0 126 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.941 112.9 51.5 -65.8 -47.3 70.6 45.8 43.4 137 137 A S H > S+ 0 0 54 -3,-0.3 4,-0.7 2,-0.2 -2,-0.2 0.781 114.2 45.2 -57.3 -31.1 68.4 44.1 46.2 138 138 A A H X S+ 0 0 16 -4,-2.0 4,-2.3 2,-0.1 3,-0.3 0.939 113.1 49.3 -69.1 -54.3 71.6 41.8 46.9 139 139 A S H X S+ 0 0 47 -4,-2.5 4,-2.1 -5,-0.2 5,-0.3 0.840 103.0 62.2 -53.8 -38.9 74.1 44.9 46.8 140 140 A E H X S+ 0 0 117 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.937 113.0 34.2 -53.9 -52.1 71.9 47.0 49.3 141 141 A M H X S+ 0 0 73 -4,-0.7 4,-2.3 -3,-0.3 -2,-0.2 0.880 114.7 58.0 -71.4 -38.2 72.3 44.3 52.2 142 142 A K H < S+ 0 0 129 -4,-2.3 4,-0.4 1,-0.2 -2,-0.2 0.799 115.7 37.5 -59.8 -29.8 76.0 43.4 51.1 143 143 A Q H X S+ 0 0 113 -4,-2.1 4,-1.4 -5,-0.2 3,-0.2 0.830 115.1 54.8 -79.2 -42.3 76.8 47.2 51.6 144 144 A L H X S+ 0 0 94 -4,-2.0 4,-2.6 -5,-0.3 5,-0.2 0.770 97.1 64.3 -69.6 -25.2 74.5 47.6 54.7 145 145 A I H X S+ 0 0 16 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.940 104.3 46.3 -53.5 -53.0 76.2 44.7 56.7 146 146 A D H > S+ 0 0 48 -4,-0.4 4,-3.3 -3,-0.2 -2,-0.2 0.949 114.6 47.6 -55.7 -50.5 79.6 46.6 56.8 147 147 A N H X S+ 0 0 69 -4,-1.4 4,-1.6 2,-0.2 -2,-0.2 0.856 111.8 49.0 -64.5 -37.3 77.7 49.9 57.9 148 148 A I H X S+ 0 0 83 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.952 116.5 44.1 -59.9 -50.9 75.7 48.0 60.7 149 149 A L H X S+ 0 0 16 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.958 111.3 53.1 -58.6 -53.7 79.0 46.4 61.9 150 150 A E H < S+ 0 0 125 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.859 118.4 37.2 -42.3 -46.5 81.0 49.8 61.7 151 151 A E H < S+ 0 0 156 -4,-1.6 3,-0.2 -5,-0.2 -2,-0.2 0.896 121.2 41.9 -81.1 -46.8 78.3 51.6 63.9 152 152 A S H < S+ 0 0 10 -4,-2.8 2,-1.1 1,-0.2 3,-0.3 0.660 88.9 91.5 -74.2 -18.0 77.4 48.7 66.4 153 153 A D >< + 0 0 27 -4,-2.2 3,-2.8 -5,-0.2 5,-0.3 0.004 45.4 152.1 -71.0 38.8 81.2 47.6 67.0 154 154 A I T 3 + 0 0 120 -2,-1.1 -1,-0.2 1,-0.3 -2,-0.1 0.749 67.6 56.7 -37.7 -45.3 81.6 50.1 70.0 155 155 A D T 3 S- 0 0 81 -3,-0.3 -1,-0.3 1,-0.1 -2,-0.1 0.610 109.2-123.7 -64.0 -19.8 84.3 47.7 71.7 156 156 A R S < S+ 0 0 227 -3,-2.8 -2,-0.1 3,-0.0 -3,-0.1 -0.083 77.3 111.3 105.2 -27.7 86.6 47.9 68.4 157 157 A D S S- 0 0 91 2,-0.2 3,-0.1 1,-0.1 -3,-0.1 0.396 82.7-116.9 -63.3 2.4 87.2 44.1 67.3 158 158 A G S S+ 0 0 32 -5,-0.3 -41,-0.5 1,-0.1 2,-0.3 0.798 87.4 89.2 63.3 32.3 85.1 44.3 63.9 159 159 A T E S-A 116 0A 19 -43,-0.1 2,-0.7 -10,-0.1 -43,-0.2 -0.958 80.0-115.3-161.8 131.7 82.6 41.6 65.2 160 160 A I E -A 115 0A 6 -45,-2.6 -45,-3.3 -2,-0.3 2,-0.1 -0.621 28.7-163.3 -85.2 111.7 79.3 42.1 67.2 161 161 A N E > -A 114 0A 39 -2,-0.7 4,-2.6 -47,-0.2 3,-0.2 -0.375 38.8 -97.0 -77.6 168.1 79.3 40.6 70.8 162 162 A L H > S+ 0 0 47 -49,-0.8 4,-2.5 1,-0.2 5,-0.2 0.880 124.5 55.3 -57.6 -39.1 76.0 40.0 72.8 163 163 A S H > S+ 0 0 70 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.922 112.1 42.8 -55.4 -47.8 76.5 43.3 74.8 164 164 A E H > S+ 0 0 4 2,-0.2 4,-1.5 -3,-0.2 -2,-0.2 0.887 113.3 51.9 -68.7 -42.7 76.7 45.3 71.4 165 165 A F H >X S+ 0 0 12 -4,-2.6 4,-3.0 2,-0.2 3,-0.6 0.974 112.5 45.9 -50.7 -57.6 73.7 43.4 69.8 166 166 A Q H 3X S+ 0 0 39 -4,-2.5 4,-1.2 1,-0.2 -2,-0.2 0.743 105.1 61.7 -64.8 -22.5 71.5 44.1 72.9 167 167 A H H 3< S+ 0 0 66 -4,-1.4 4,-0.3 -5,-0.2 -1,-0.2 0.886 117.7 30.0 -61.7 -41.3 72.7 47.9 72.8 168 168 A V H << S+ 0 0 101 -4,-1.5 -2,-0.2 -3,-0.6 -3,-0.1 0.885 134.4 30.0 -76.6 -47.8 71.0 48.1 69.3 169 169 A I H < S+ 0 0 65 -4,-3.0 6,-0.5 -5,-0.2 7,-0.3 0.790 131.4 9.4 -93.2 -39.8 68.1 45.5 69.8 170 170 A S < + 0 0 4 -4,-1.2 -1,-0.1 -5,-0.3 -3,-0.1 -0.216 67.5 127.1-150.0 60.6 67.0 45.3 73.5 171 171 A R S S+ 0 0 181 1,-0.4 -4,-0.1 -4,-0.3 -3,-0.1 0.941 100.8 30.1 -81.8 -50.1 68.4 48.1 75.9 172 172 A S S S- 0 0 95 -5,-0.1 2,-2.1 -3,-0.0 -1,-0.4 -0.969 114.1-128.0 -82.7 116.2 64.8 48.8 76.9 173 173 A P > + 0 0 68 0, 0.0 4,-0.7 0, 0.0 -3,-0.1 -0.272 66.1 127.0 -81.4 68.2 63.8 45.0 76.3 174 174 A D H >> S+ 0 0 124 -2,-2.1 4,-0.9 2,-0.2 3,-0.6 0.976 77.7 39.6 -82.6 -59.1 60.7 45.3 73.9 175 175 A F H >4 S+ 0 0 106 -6,-0.5 3,-0.7 -3,-0.3 -5,-0.1 0.914 110.9 62.3 -54.4 -45.5 61.8 42.9 70.9 176 176 A A H 34 S+ 0 0 1 -7,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.817 101.9 51.6 -44.4 -40.5 63.3 40.5 73.6 177 177 A S H << S+ 0 0 66 -4,-0.7 2,-1.6 -3,-0.6 -1,-0.2 0.807 92.0 78.8 -66.7 -32.4 59.7 40.0 75.1 178 178 A S << + 0 0 82 -4,-0.9 -1,-0.2 -3,-0.7 -2,-0.1 -0.361 62.6 96.6 -84.7 62.8 58.0 39.1 71.7 179 179 A F + 0 0 46 -2,-1.6 2,-0.3 -3,-0.2 -1,-0.2 -0.331 49.0 154.6-140.3 56.2 59.1 35.3 71.2 180 180 A K - 0 0 148 -88,-0.0 2,-0.2 1,-0.0 -89,-0.2 -0.656 26.1-152.1 -95.8 142.3 56.1 33.2 72.6 181 181 A I - 0 0 71 -91,-2.0 2,-0.6 -2,-0.3 -89,-0.2 -0.673 16.1-129.8 -97.0 157.5 55.1 29.5 71.6 182 182 A V 0 0 125 -2,-0.2 -91,-0.0 1,-0.1 -2,-0.0 -0.961 360.0 360.0 -97.7 114.3 51.7 27.6 71.6 183 183 A L 0 0 74 -2,-0.6 -1,-0.1 -96,-0.0 -92,-0.0 0.727 360.0 360.0-106.7 360.0 52.2 24.3 73.5