==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 27-JAN-06 2FUQ . COMPND 2 MOLECULE: HEPARINASE II PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PEDOBACTER HEPARINUS; . AUTHOR D.SHAYA,M.CYGLER . 1494 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 52026.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 995 66.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 312 20.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 14 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.1 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 . 105 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 147 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 308 20.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 1.9 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 2 7 3 2 2 4 1 1 1 3 0 4 0 3 1 0 0 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 0 0 PARALLEL BRIDGES PER LADDER . 10 4 3 9 12 5 5 2 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 0 2 6 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 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 26 A X 0 0 66 0, 0.0 2,-0.3 0, 0.0 248,-0.1 0.000 360.0 360.0 360.0 116.9 16.4 37.6 78.9 2 27 A T - 0 0 53 246,-0.1 251,-0.3 0, 0.0 249,-0.1 -0.980 360.0 -83.1-142.3 154.4 13.0 38.8 77.8 3 28 A K - 0 0 187 -2,-0.3 250,-0.2 1,-0.1 2,-0.2 -0.184 54.8 -97.0 -52.1 142.3 11.6 41.1 75.1 4 29 A A + 0 0 37 248,-0.2 248,-0.2 1,-0.1 -1,-0.1 -0.428 43.9 168.8 -62.8 131.4 11.7 44.8 75.8 5 30 A D + 0 0 93 246,-1.7 2,-0.2 -2,-0.2 247,-0.1 0.182 44.3 103.2-127.9 15.0 8.4 46.2 77.1 6 31 A V S S- 0 0 20 245,-1.2 2,-0.3 1,-0.1 245,-0.1 -0.510 75.9-101.6 -94.2 163.2 9.5 49.6 78.2 7 32 A V - 0 0 102 11,-0.5 11,-3.0 -2,-0.2 2,-0.4 -0.621 33.6-150.5 -81.0 142.3 9.0 53.0 76.5 8 33 A W E -A 17 0A 95 -2,-0.3 2,-0.3 9,-0.2 7,-0.1 -0.966 14.1-177.5-117.1 133.5 12.0 54.5 74.7 9 34 A K E -A 16 0A 120 7,-2.8 7,-2.3 -2,-0.4 2,-0.3 -0.964 27.9-115.4-127.0 146.9 12.8 58.2 74.2 10 35 A D E -A 15 0A 112 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.627 24.3-169.9 -76.3 132.5 15.6 60.0 72.3 11 36 A V E > S-A 14 0A 50 3,-2.7 3,-1.5 -2,-0.3 -2,-0.0 -0.952 76.8 -25.1-123.8 109.3 18.0 62.1 74.4 12 37 A D T 3 S- 0 0 156 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.942 128.8 -46.0 51.1 55.4 20.2 64.2 72.3 13 38 A G T 3 S+ 0 0 71 1,-0.1 2,-0.6 -3,-0.0 -1,-0.3 0.345 119.9 111.0 76.0 -6.0 19.9 61.9 69.3 14 39 A V E < -A 11 0A 40 -3,-1.5 -3,-2.7 -5,-0.0 2,-0.2 -0.896 66.8-131.6-110.3 117.4 20.5 58.9 71.4 15 40 A S E +A 10 0A 52 -2,-0.6 -5,-0.2 -5,-0.2 -7,-0.0 -0.438 33.0 175.4 -67.9 132.7 17.7 56.4 72.1 16 41 A M E -A 9 0A 16 -7,-2.3 -7,-2.8 -2,-0.2 2,-0.2 -0.980 27.5-115.3-140.1 147.8 17.2 55.5 75.7 17 42 A P E -A 8 0A 3 0, 0.0 -9,-0.2 0, 0.0 235,-0.1 -0.608 19.6-135.8 -85.7 146.1 14.8 53.4 77.8 18 43 A I - 0 0 44 -11,-3.0 -11,-0.5 -2,-0.2 3,-0.1 -0.886 29.0-114.5 -97.0 124.5 12.5 54.8 80.5 19 44 A P - 0 0 2 0, 0.0 232,-0.1 0, 0.0 2,-0.0 -0.335 40.4-104.5 -56.4 136.2 12.3 52.7 83.7 20 45 A P - 0 0 23 0, 0.0 2,-2.2 0, 0.0 -14,-0.1 -0.360 26.7-112.7 -67.8 147.9 8.8 51.2 84.1 21 46 A K S S+ 0 0 189 -3,-0.1 2,-0.3 174,-0.0 4,-0.0 -0.204 87.9 87.5 -76.4 48.4 6.6 52.9 86.7 22 47 A T S S- 0 0 75 -2,-2.2 8,-0.0 2,-0.0 0, 0.0 -0.998 72.4-104.4-150.3 141.8 6.7 49.7 88.9 23 48 A H S S+ 0 0 35 -2,-0.3 2,-0.1 2,-0.1 6,-0.1 -0.941 91.6 45.5-113.8 141.2 8.8 48.2 91.7 24 49 A P + 0 0 6 0, 0.0 6,-0.5 0, 0.0 114,-0.1 0.491 65.7 134.2 -79.7 154.0 10.7 46.0 91.8 25 50 A R + 0 0 0 4,-0.2 2,-0.7 -2,-0.1 4,-0.1 0.276 42.6 98.6-141.5 -1.7 12.7 46.9 88.6 26 51 A L S S- 0 0 0 1,-0.2 221,-0.1 108,-0.1 220,-0.1 -0.855 110.6 -21.9 -96.2 109.9 16.2 46.5 89.8 27 52 A Y S S+ 0 0 0 -2,-0.7 2,-0.3 219,-0.3 -1,-0.2 0.185 139.6 25.2 78.1 -15.6 17.7 43.1 88.8 28 53 A L - 0 0 1 218,-0.1 2,-0.2 221,-0.1 -2,-0.1 -0.964 66.0-143.2-165.7 158.5 14.2 41.7 88.4 29 54 A R >> - 0 0 39 -2,-0.3 3,-1.8 -4,-0.1 4,-0.6 -0.728 46.0 -93.2-114.9 172.4 10.6 42.7 87.7 30 55 A E G >4 S+ 0 0 79 -6,-0.5 3,-1.1 1,-0.3 -5,-0.1 0.836 119.1 77.7 -53.2 -32.9 7.3 41.3 89.1 31 56 A Q G 34 S+ 0 0 96 1,-0.3 -1,-0.3 2,-0.1 4,-0.1 0.800 105.1 29.5 -43.9 -39.9 7.4 39.1 86.0 32 57 A Q G X4 S+ 0 0 27 -3,-1.8 3,-0.7 1,-0.1 4,-0.4 0.399 93.2 96.3-107.7 2.6 10.2 36.8 87.6 33 58 A V G X< S+ 0 0 10 -3,-1.1 3,-1.8 -4,-0.6 4,-0.4 0.904 80.9 54.5 -60.1 -45.4 9.3 37.2 91.4 34 59 A P G > S+ 0 0 92 0, 0.0 3,-0.7 0, 0.0 4,-0.5 0.755 100.6 62.8 -63.1 -20.2 7.2 34.0 91.6 35 60 A D G <> S+ 0 0 73 -3,-0.7 4,-2.2 1,-0.2 -2,-0.2 0.621 81.3 82.3 -77.2 -13.3 10.2 32.1 90.2 36 61 A L H <> S+ 0 0 4 -3,-1.8 4,-1.8 -4,-0.4 -1,-0.2 0.819 88.8 52.7 -60.0 -33.4 12.3 33.1 93.3 37 62 A K H <> S+ 0 0 104 -3,-0.7 4,-1.5 -4,-0.4 -1,-0.2 0.868 107.4 51.0 -71.0 -37.6 10.7 30.2 95.3 38 63 A N H 4 S+ 0 0 97 -4,-0.5 4,-0.5 2,-0.2 -2,-0.2 0.911 110.8 49.6 -61.8 -43.0 11.7 27.7 92.6 39 64 A R H < S+ 0 0 37 -4,-2.2 3,-0.5 1,-0.2 6,-0.2 0.852 108.0 52.9 -63.6 -37.9 15.2 29.1 92.7 40 65 A M H < S+ 0 0 20 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.815 112.5 45.2 -66.9 -30.7 15.2 28.7 96.5 41 66 A N S < S+ 0 0 116 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.454 88.6 104.6 -90.6 -4.6 14.2 25.1 96.0 42 67 A D > - 0 0 27 -3,-0.5 4,-1.5 -4,-0.5 3,-0.5 -0.715 66.9-149.8 -75.1 117.5 16.8 24.7 93.3 43 68 A P H > S+ 0 0 104 0, 0.0 4,-1.0 0, 0.0 -1,-0.1 0.780 95.0 56.5 -67.2 -27.2 19.5 22.6 95.0 44 69 A K H 4 S+ 0 0 111 1,-0.2 4,-0.5 2,-0.2 -5,-0.1 0.849 115.5 38.6 -67.8 -34.4 22.3 24.2 92.9 45 70 A L H > S+ 0 0 0 -3,-0.5 4,-1.8 -6,-0.2 -1,-0.2 0.617 101.1 72.7 -91.4 -16.0 21.1 27.7 94.1 46 71 A K H X S+ 0 0 105 -4,-1.5 4,-2.4 1,-0.2 5,-0.2 0.923 95.1 54.3 -63.5 -42.8 20.4 26.6 97.7 47 72 A K H X S+ 0 0 115 -4,-1.0 4,-2.3 1,-0.2 -1,-0.2 0.860 106.6 50.1 -58.9 -40.1 24.1 26.4 98.3 48 73 A V H > S+ 0 0 3 -4,-0.5 4,-1.7 2,-0.2 -1,-0.2 0.902 110.3 50.7 -67.1 -37.5 24.7 30.0 97.1 49 74 A W H X S+ 0 0 70 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.885 109.5 50.7 -64.6 -40.1 21.8 31.1 99.4 50 75 A A H X S+ 0 0 41 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.893 105.4 57.2 -59.7 -43.6 23.5 29.2 102.3 51 76 A D H X S+ 0 0 38 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.903 107.7 47.7 -51.8 -44.2 26.8 31.1 101.4 52 77 A M H X S+ 0 0 2 -4,-1.7 4,-0.6 2,-0.2 -1,-0.2 0.824 104.9 58.1 -72.2 -32.7 24.9 34.4 101.9 53 78 A I H >< S+ 0 0 62 -4,-1.6 3,-0.9 1,-0.2 4,-0.3 0.907 108.1 47.7 -58.9 -43.0 23.5 33.3 105.2 54 79 A K H >< S+ 0 0 174 -4,-2.0 3,-1.2 1,-0.2 -2,-0.2 0.818 103.6 62.6 -65.9 -33.2 27.1 32.7 106.4 55 80 A M H 3< S+ 0 0 19 -4,-1.3 23,-2.0 1,-0.2 -1,-0.2 0.636 85.4 77.0 -68.3 -16.3 28.0 36.2 105.0 56 81 A Q T << S+ 0 0 54 -3,-0.9 -1,-0.2 -4,-0.6 26,-0.2 0.763 71.6 100.0 -65.6 -28.1 25.5 37.8 107.5 57 82 A E S < S- 0 0 136 -3,-1.2 21,-0.5 -4,-0.3 3,-0.1 -0.424 80.4-115.3 -64.3 130.6 28.0 37.3 110.3 58 83 A D - 0 0 99 19,-0.2 20,-0.1 -2,-0.2 -1,-0.1 -0.204 38.7 -87.2 -55.8 151.8 29.9 40.5 111.2 59 84 A W - 0 0 53 18,-0.1 -1,-0.1 1,-0.1 5,-0.0 -0.377 43.4-111.7 -52.1 136.0 33.7 40.7 110.7 60 85 A K >> - 0 0 126 1,-0.1 3,-2.1 -3,-0.1 4,-1.0 -0.693 26.0-129.8 -68.6 124.0 35.7 39.4 113.7 61 86 A P T 34 S+ 0 0 111 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.813 108.9 51.1 -47.4 -36.1 37.3 42.6 115.0 62 87 A A T 34 S+ 0 0 90 1,-0.2 -3,-0.0 3,-0.0 -2,-0.0 0.678 105.5 56.1 -75.9 -20.5 40.7 40.8 115.1 63 88 A D T <4 S+ 0 0 95 -3,-2.1 -1,-0.2 2,-0.0 -4,-0.0 0.639 80.4 106.9 -85.7 -16.8 40.3 39.7 111.4 64 89 A I < - 0 0 49 -4,-1.0 4,-0.1 -3,-0.4 8,-0.0 -0.500 63.2-149.1 -68.7 123.7 39.8 43.3 110.1 65 90 A P - 0 0 66 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.703 17.9-139.8 -68.7 -22.5 42.9 44.4 108.2 66 91 A E S S+ 0 0 147 1,-0.1 2,-0.7 3,-0.0 -2,-0.1 0.139 90.7 83.1 74.2 -19.0 42.5 48.1 109.1 67 92 A V S S- 0 0 114 51,-0.0 2,-1.8 52,-0.0 5,-0.1 -0.846 81.4-153.2-103.3 87.1 43.6 48.8 105.6 68 93 A K - 0 0 60 -2,-0.7 56,-0.1 4,-0.1 50,-0.0 -0.451 18.9-170.9 -73.5 85.6 40.1 48.4 104.1 69 94 A D > - 0 0 66 -2,-1.8 4,-1.3 1,-0.1 51,-0.1 0.118 42.3-102.7 -59.3 174.4 41.0 47.3 100.6 70 95 A F H > S+ 0 0 39 49,-0.5 4,-2.4 2,-0.2 5,-0.2 0.833 129.1 58.6 -66.8 -32.7 38.5 47.0 97.7 71 96 A R H > S+ 0 0 176 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.804 98.8 57.0 -64.7 -32.9 39.0 43.3 98.5 72 97 A F H 4 S+ 0 0 28 2,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.945 112.1 41.1 -59.1 -49.8 37.8 44.0 102.1 73 98 A Y H < S+ 0 0 48 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.833 111.7 53.9 -72.3 -34.0 34.5 45.3 100.7 74 99 A F H < S+ 0 0 14 -4,-2.4 248,-1.8 1,-0.3 2,-1.7 0.751 95.6 69.3 -73.6 -25.6 34.1 42.7 98.0 75 100 A N S < S- 0 0 65 -4,-1.4 -1,-0.3 -5,-0.2 -4,-0.0 -0.526 94.9-159.9 -81.3 64.2 34.5 40.1 100.7 76 101 A Q + 0 0 9 -2,-1.7 2,-0.3 -3,-0.1 -3,-0.1 -0.229 20.8 162.4 -63.5 130.5 31.1 41.4 101.8 77 102 A K + 0 0 66 -4,-0.1 3,-0.5 -21,-0.1 -21,-0.2 -0.984 32.8 5.6-143.7 152.8 30.0 40.7 105.4 78 103 A G S >> S+ 0 0 2 -23,-2.0 4,-2.1 -21,-0.5 3,-0.9 -0.457 106.8 6.2 89.6-147.1 27.5 41.9 108.1 79 104 A L H 3> S+ 0 0 58 1,-0.3 4,-2.6 2,-0.2 5,-0.3 0.813 123.2 55.4 -48.6 -46.2 24.6 44.4 108.0 80 105 A T H 3> S+ 0 0 23 -3,-0.5 4,-1.1 1,-0.2 -1,-0.3 0.859 111.3 45.5 -62.2 -36.2 24.7 45.1 104.2 81 106 A V H <> S+ 0 0 0 -3,-0.9 4,-2.1 -26,-0.2 -1,-0.2 0.920 111.7 53.6 -67.5 -45.5 24.3 41.4 103.5 82 107 A R H X S+ 0 0 65 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.909 108.6 46.9 -56.6 -48.8 21.6 41.0 106.1 83 108 A V H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.792 109.5 55.4 -68.1 -27.9 19.4 43.9 104.7 84 109 A E H X S+ 0 0 6 -4,-1.1 4,-2.1 -5,-0.3 -1,-0.2 0.898 109.5 46.0 -67.6 -41.8 19.8 42.4 101.2 85 110 A L H X S+ 0 0 13 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.809 110.4 55.0 -70.5 -31.1 18.5 39.1 102.4 86 111 A M H X S+ 0 0 33 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.923 108.7 47.2 -62.9 -47.3 15.7 40.9 104.2 87 112 A A H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.897 110.9 51.8 -62.6 -42.8 14.7 42.7 100.9 88 113 A L H X S+ 0 0 2 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.906 110.0 49.3 -57.7 -44.7 14.8 39.3 99.0 89 114 A N H X S+ 0 0 68 -4,-2.0 4,-1.9 1,-0.2 5,-0.3 0.844 106.7 56.1 -65.1 -34.3 12.5 37.8 101.7 90 115 A Y H X S+ 0 0 12 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.868 105.2 51.8 -65.2 -38.1 10.1 40.7 101.4 91 116 A L H < S+ 0 0 13 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.888 115.2 42.5 -62.1 -39.8 9.8 40.1 97.6 92 117 A M H < S+ 0 0 48 -4,-1.5 -2,-0.2 -5,-0.1 -1,-0.2 0.716 129.3 25.0 -82.7 -24.3 9.0 36.4 98.4 93 118 A T H < S- 0 0 72 -4,-1.9 -3,-0.2 -5,-0.1 -2,-0.2 0.698 80.4-146.5-111.1 -29.3 6.6 36.9 101.3 94 119 A K < + 0 0 138 -4,-2.5 -4,-0.1 -5,-0.3 -3,-0.1 0.539 42.5 156.2 66.9 10.2 5.2 40.5 100.9 95 120 A D >> - 0 0 54 -6,-0.3 4,-1.4 1,-0.2 3,-0.8 -0.564 41.9-145.7 -71.4 114.2 5.2 40.7 104.7 96 121 A P H 3> S+ 0 0 70 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.679 94.4 62.9 -55.7 -22.3 5.3 44.5 105.6 97 122 A K H 3> S+ 0 0 149 2,-0.2 4,-1.8 1,-0.1 -7,-0.1 0.934 103.4 44.0 -69.1 -49.7 7.4 43.7 108.7 98 123 A V H <> S+ 0 0 23 -3,-0.8 4,-1.9 1,-0.2 -1,-0.1 0.921 112.6 51.4 -64.2 -47.6 10.4 42.2 106.8 99 124 A G H X S+ 0 0 0 -4,-1.4 4,-1.5 1,-0.2 -1,-0.2 0.816 109.7 51.9 -60.4 -31.7 10.6 45.0 104.2 100 125 A R H X S+ 0 0 44 -4,-1.0 4,-3.5 -5,-0.2 5,-0.3 0.902 104.6 54.1 -71.2 -44.4 10.5 47.6 106.9 101 126 A E H X S+ 0 0 101 -4,-1.8 4,-2.7 2,-0.2 5,-0.2 0.931 106.4 53.3 -56.7 -46.1 13.4 46.0 108.9 102 127 A A H X S+ 0 0 0 -4,-1.9 4,-1.1 2,-0.2 -1,-0.2 0.930 114.3 42.7 -50.7 -49.6 15.5 46.2 105.7 103 128 A I H X S+ 0 0 0 -4,-1.5 4,-1.8 1,-0.2 3,-0.4 0.937 117.0 44.2 -64.4 -52.2 14.6 49.9 105.4 104 129 A T H < S+ 0 0 75 -4,-3.5 4,-0.4 1,-0.2 -1,-0.2 0.792 112.3 53.6 -67.6 -29.2 15.1 50.8 109.1 105 130 A S H < S+ 0 0 39 -4,-2.7 4,-0.3 -5,-0.3 -1,-0.2 0.789 117.3 34.0 -75.5 -28.2 18.3 48.8 109.4 106 131 A I H X S+ 0 0 0 -4,-1.1 4,-2.2 -3,-0.4 5,-0.2 0.753 96.7 78.5-100.4 -27.6 20.1 50.5 106.5 107 132 A I H X S+ 0 0 9 -4,-1.8 4,-1.6 1,-0.2 5,-0.1 0.873 94.2 45.3 -59.1 -50.3 19.0 54.1 106.4 108 133 A D H > S+ 0 0 100 -4,-0.4 4,-1.6 1,-0.2 3,-0.3 0.937 117.2 43.6 -60.4 -50.8 21.1 55.7 109.1 109 134 A T H > S+ 0 0 48 -4,-0.3 4,-2.8 1,-0.2 -1,-0.2 0.831 108.5 59.0 -67.6 -31.6 24.4 54.1 108.2 110 135 A L H < S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.861 111.4 42.6 -61.8 -36.5 23.7 54.8 104.5 111 136 A E H < S+ 0 0 53 -4,-1.6 -2,-0.2 -3,-0.3 -1,-0.2 0.791 124.7 34.1 -74.8 -32.6 23.6 58.5 105.4 112 137 A T H < S+ 0 0 90 -4,-1.6 -2,-0.2 -5,-0.1 -3,-0.2 0.674 80.1 131.5-104.0 -22.2 26.6 58.4 107.8 113 138 A A < - 0 0 15 -4,-2.8 2,-0.3 -5,-0.2 -3,-0.0 0.061 37.3-159.4 -45.0 136.8 29.0 55.9 106.3 114 139 A T - 0 0 122 2,-0.0 2,-0.4 0, 0.0 -1,-0.1 -0.859 5.7-158.4-119.6 155.4 32.7 56.9 106.0 115 140 A F - 0 0 29 -2,-0.3 3,-0.1 3,-0.0 6,-0.0 -0.947 13.5-138.2-139.9 113.8 35.5 55.6 103.8 116 141 A K - 0 0 165 -2,-0.4 2,-0.2 1,-0.1 5,-0.0 -0.484 43.1 -94.2 -67.2 135.6 39.2 56.0 104.4 117 142 A P S S+ 0 0 122 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.378 71.1 147.8 -52.3 114.8 41.2 56.8 101.2 118 143 A A > - 0 0 34 -2,-0.2 3,-1.8 -3,-0.1 4,-0.2 -0.926 53.8 -51.8-150.4 167.6 42.3 53.3 100.1 119 144 A G T 3 S- 0 0 40 -2,-0.3 -49,-0.5 1,-0.3 -52,-0.0 -0.246 120.2 -17.5 -53.5 113.4 43.0 51.2 97.1 120 145 A D T >> S+ 0 0 53 -2,-0.1 3,-1.9 -51,-0.1 4,-0.6 0.865 78.9 169.0 56.2 44.5 40.1 51.4 94.7 121 146 A I H X> + 0 0 30 -3,-1.8 4,-2.5 1,-0.3 3,-0.5 0.796 64.8 76.1 -58.3 -30.3 37.8 52.7 97.5 122 147 A S H 3> S+ 0 0 9 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259,-0.3 0.777 126.6 47.3-122.6 -65.9 29.6 56.4 75.2 213 238 A H H > S+ 0 0 66 -6,-0.4 4,-1.4 -5,-0.2 -1,-0.2 0.908 112.1 49.9 -61.9 -44.4 28.6 52.8 71.4 216 241 A A H X S+ 0 0 0 -4,-2.6 4,-0.9 2,-0.2 -2,-0.2 0.905 115.0 42.4 -61.5 -45.9 32.2 52.0 72.0 217 242 A R H >X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.2 3,-0.6 0.908 110.0 55.2 -71.1 -44.1 31.5 48.3 72.9 218 243 A N H 3< S+ 0 0 41 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.797 101.9 62.9 -57.1 -30.7 29.0 47.8 70.1 219 244 A W H 3< S+ 0 0 73 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.874 116.7 24.3 -61.8 -43.5 31.8 48.9 67.7 220 245 A F H X< S+ 0 0 0 -4,-0.9 3,-1.9 -3,-0.6 5,-0.4 0.681 100.4 87.5 -99.9 -17.3 34.2 46.1 68.5 221 246 A Y G >< S+ 0 0 0 -4,-2.5 3,-2.2 1,-0.3 41,-0.2 0.784 77.0 67.2 -50.7 -39.6 31.7 43.4 69.7 222 247 A P G 3 S+ 0 0 28 0, 0.0 1237,-0.3 0, 0.0 -1,-0.3 0.757 96.7 56.6 -56.3 -22.9 31.1 42.0 66.2 223 248 A S G < S- 0 0 16 -3,-1.9 -2,-0.2 128,-0.1 3,-0.1 0.346 107.9-129.2 -94.8 6.8 34.7 40.8 66.1 224 249 A H < + 0 0 4 -3,-2.2 2,-0.3 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42.1 2.5 823 100 B N S < S- 0 0 57 -4,-1.8 -1,-0.3 -5,-0.2 2,-0.1 -0.491 94.6-161.5 -78.0 63.1 38.1 39.4 -0.2 824 101 B Q + 0 0 10 -2,-1.9 2,-0.3 -3,-0.1 -3,-0.1 -0.258 20.0 161.1 -64.9 126.7 41.5 40.7 -1.4 825 102 B K + 0 0 73 -4,-0.1 3,-0.5 -21,-0.1 -21,-0.2 -0.961 33.0 9.6-139.4 159.0 42.5 39.9 -5.0 826 103 B G S >> S+ 0 0 4 -23,-1.7 4,-2.0 -21,-0.8 3,-1.0 -0.440 108.0 5.3 85.2-146.0 44.9 41.0 -7.7 827 104 B L H 3> S+ 0 0 56 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.789 123.5 55.4 -51.4 -45.0 47.8 43.5 -7.7 828 105 B T H 3> S+ 0 0 24 -3,-0.5 4,-1.2 2,-0.2 -1,-0.3 0.855 110.6 46.3 -62.4 -36.7 47.9 44.2 -3.9 829 106 B V H X> S+ 0 0 0 -3,-1.0 4,-1.9 -26,-0.2 3,-0.5 0.970 111.6 53.0 -64.1 -52.5 48.2 40.5 -3.1 830 107 B R H 3X S+ 0 0 70 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.886 109.2 47.3 -50.0 -48.8 50.9 40.1 -5.8 831 108 B V H 3X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.812 108.1 55.5 -69.0 -29.8 53.1 42.9 -4.4 832 109 B E H > - 0 0 44 -6,-0.3 4,-1.6 1,-0.1 3,-1.2 -0.570 37.5-149.0 -72.4 113.0 67.1 39.7 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141 B K - 0 0 168 -2,-0.4 5,-0.1 1,-0.1 -48,-0.1 -0.428 38.2-110.0 -60.6 120.9 33.8 55.6 -3.8 865 142 B P + 0 0 117 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.278 59.1 142.5 -60.9 135.4 32.5 57.0 -0.5 866 143 B A - 0 0 69 -3,-0.1 -49,-0.0 -51,-0.0 -2,-0.0 0.557 62.5-104.5-144.2 -47.0 30.2 54.5 1.2 867 144 B G S S+ 0 0 50 0, 0.0 44,-0.0 0, 0.0 0, 0.0 0.459 115.2 49.3 118.2 3.5 30.5 54.4 5.0 868 145 B D S > S+ 0 0 33 57,-0.0 3,-1.5 43,-0.0 4,-0.4 0.098 79.2 106.5-138.4 5.0 32.4 51.2 5.6 869 146 B I T 3> + 0 0 17 1,-0.3 4,-2.4 2,-0.2 3,-0.3 0.664 56.8 80.0 -65.3 -21.4 35.0 52.2 3.0 870 147 B S H 3> S+ 0 0 11 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.810 88.3 58.4 -55.4 -32.3 37.7 52.9 5.6 871 148 B R H <> S+ 0 0 36 -3,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.918 108.8 42.0 -66.2 -44.9 38.3 49.2 5.8 872 149 B G H > S+ 0 0 1 -4,-0.4 4,-2.0 -3,-0.3 -2,-0.2 0.886 116.6 48.8 -68.8 -41.8 39.2 49.0 2.1 873 150 B I H X S+ 0 0 4 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.924 112.3 49.5 -58.8 -47.1 41.2 52.2 2.2 874 151 B G H X S+ 0 0 0 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1,-0.2 -1,-0.2 0.908 119.2 34.7 -53.5 -52.2 57.7 50.2 2.1 885 162 B D H >< S+ 0 0 1 -4,-2.7 3,-0.9 2,-0.2 4,-0.2 0.919 121.8 43.9 -72.2 -45.5 59.1 48.5 5.2 886 163 B W H 3< S+ 0 0 5 -4,-2.7 -2,-0.2 -5,-0.3 -3,-0.2 0.783 124.5 34.0 -77.3 -28.1 60.0 45.1 3.7 887 164 B C T >< S+ 0 0 0 -4,-2.3 3,-2.1 -5,-0.3 4,-0.4 0.014 81.7 128.4-110.5 24.9 61.7 46.5 0.6 888 165 B Y G X + 0 0 39 -3,-0.9 3,-1.7 1,-0.3 -1,-0.1 0.844 66.6 55.8 -52.0 -45.3 63.0 49.6 2.4 889 166 B D G 3 S+ 0 0 112 1,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.569 105.5 54.7 -69.6 -7.3 66.7 49.3 1.3 890 167 B Q G < S+ 0 0 44 -3,-2.1 -1,-0.3 -6,-0.1 2,-0.2 0.448 83.6 110.2-101.5 -4.9 65.5 49.2 -2.3 891 168 B L < - 0 0 13 -3,-1.7 -43,-0.0 -4,-0.4 -44,-0.0 -0.532 61.4-140.7 -73.1 134.3 63.6 52.5 -2.1 892 169 B K > - 0 0 88 -2,-0.2 4,-1.9 1,-0.1 3,-0.3 -0.641 26.5-110.1 -86.2 154.3 65.0 55.5 -4.0 893 170 B P H > S+ 0 0 87 0, 0.0 4,-1.6 0, 0.0 3,-0.1 0.896 118.4 50.4 -51.0 -48.9 64.8 59.0 -2.3 894 171 B E H > S+ 0 0 120 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.869 109.3 52.1 -58.2 -40.5 62.1 60.3 -4.7 895 172 B E H > S+ 0 0 11 -3,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.848 102.9 58.2 -66.4 -37.4 60.0 57.1 -4.2 896 173 B K H X S+ 0 0 43 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.929 107.2 48.0 -56.2 -46.0 60.1 57.6 -0.4 897 174 B T H X S+ 0 0 81 -4,-1.6 4,-2.3 1,-0.2 5,-0.2 0.906 110.7 50.7 -63.3 -44.2 58.5 61.0 -0.8 898 175 B R H X S+ 0 0 73 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.906 110.5 49.8 -58.6 -44.5 55.8 59.7 -3.1 899 176 B F H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 5,-0.2 0.939 110.2 50.3 -60.7 -48.0 54.9 56.9 -0.7 900 177 B V H X S+ 0 0 18 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.938 113.4 44.6 -57.6 -50.0 54.7 59.4 2.3 901 178 B K H X S+ 0 0 126 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.863 113.6 51.4 -64.2 -36.9 52.4 61.8 0.3 902 179 B A H X S+ 0 0 5 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.936 110.6 47.7 -63.6 -48.9 50.3 58.8 -0.9 903 180 B F H X S+ 0 0 0 -4,-3.0 4,-2.8 2,-0.2 -2,-0.2 0.877 111.6 50.3 -59.6 -42.7 49.9 57.4 2.6 904 181 B V H X S+ 0 0 28 -4,-2.4 4,-1.8 -5,-0.2 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