==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 10-JUN-10 3NFV . COMPND 2 MOLECULE: ALGINATE LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES OVATUS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 382 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16816.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 268 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 1.8 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 . 2 0.5 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 . 11 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 17.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 161 42.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.6 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 3 0 1 1 1 1 1 0 0 0 1 1 3 0 0 0 1 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 2 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 A G 0 0 111 0, 0.0 2,-0.1 0, 0.0 14,-0.1 0.000 360.0 360.0 360.0 6.0 32.6 19.1 -8.2 2 20 A Q - 0 0 86 13,-0.1 2,-0.5 1,-0.0 0, 0.0 -0.431 360.0-152.2 -74.0 141.5 34.0 16.5 -5.9 3 21 A V - 0 0 75 -2,-0.1 9,-0.1 12,-0.0 2,-0.1 -0.977 22.4-126.9-108.3 130.6 32.6 16.1 -2.4 4 22 A A - 0 0 24 -2,-0.5 2,-1.8 7,-0.3 11,-0.1 -0.367 22.5-108.9 -75.9 158.2 35.1 14.6 0.1 5 23 A N + 0 0 99 174,-0.1 2,-0.2 -2,-0.1 -1,-0.1 -0.472 56.9 161.3 -87.3 64.1 34.2 11.6 2.1 6 24 A T - 0 0 3 -2,-1.8 5,-0.3 1,-0.1 167,-0.1 -0.632 25.1-170.1 -84.4 149.8 33.9 13.5 5.5 7 25 A R S S+ 0 0 38 -2,-0.2 287,-0.2 165,-0.2 286,-0.1 0.783 85.4 26.7-108.9 -36.3 32.0 11.8 8.3 8 26 A I S S+ 0 0 11 164,-0.3 2,-0.1 282,-0.1 165,-0.1 0.859 113.3 68.7 -92.8 -50.6 31.7 14.6 11.0 9 27 A Y S S- 0 0 8 164,-0.1 2,-0.9 1,-0.1 3,-0.1 -0.478 97.1-113.0 -68.4 139.4 31.9 17.6 8.6 10 28 A A > - 0 0 35 368,-0.5 4,-2.4 1,-0.2 5,-0.1 -0.697 35.3-157.9 -74.4 108.4 28.8 17.9 6.3 11 29 A A H > S+ 0 0 22 -2,-0.9 4,-2.2 -5,-0.3 -7,-0.3 0.875 81.7 45.1 -66.0 -48.2 30.6 17.1 3.1 12 30 A E H > S+ 0 0 125 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.935 115.2 49.9 -66.3 -43.3 28.3 18.6 0.4 13 31 A K H > S+ 0 0 39 1,-0.2 4,-2.1 2,-0.2 3,-0.2 0.938 111.2 49.0 -54.3 -53.1 27.9 21.8 2.4 14 32 A L H X S+ 0 0 5 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.849 107.2 54.9 -59.6 -37.8 31.7 22.1 2.9 15 33 A A H X S+ 0 0 6 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.870 110.0 47.5 -62.0 -38.6 32.3 21.5 -0.9 16 34 A K H X S+ 0 0 67 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.852 109.9 51.6 -72.1 -38.6 30.0 24.4 -1.7 17 35 A V H < S+ 0 0 0 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.926 111.7 48.1 -62.6 -42.8 31.6 26.7 0.9 18 36 A K H >< S+ 0 0 82 -4,-2.4 3,-1.9 1,-0.2 4,-0.2 0.933 109.8 51.5 -61.4 -49.9 35.0 25.9 -0.6 19 37 A E H 3< S+ 0 0 125 -4,-2.3 3,-0.3 1,-0.3 -1,-0.2 0.836 117.4 40.5 -54.0 -36.8 33.7 26.6 -4.2 20 38 A K T >< S+ 0 0 91 -4,-1.7 3,-1.9 1,-0.2 6,-0.5 0.094 78.2 124.4-100.3 23.6 32.4 29.9 -2.8 21 39 A A T < S+ 0 0 7 -3,-1.9 9,-0.3 1,-0.3 -1,-0.2 0.832 75.6 47.5 -50.8 -41.3 35.5 30.7 -0.7 22 40 A D T 3 S+ 0 0 149 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.525 88.5 109.2 -84.3 -6.1 36.1 34.0 -2.4 23 41 A S S X> S- 0 0 34 -3,-1.9 4,-2.6 1,-0.1 3,-0.8 -0.291 84.9-107.4 -64.5 157.5 32.5 35.2 -2.1 24 42 A P T 34 S+ 0 0 124 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.829 116.9 58.1 -54.0 -34.2 31.6 38.0 0.4 25 43 A L T 34 S+ 0 0 117 1,-0.2 4,-0.2 2,-0.1 -4,-0.1 0.878 121.7 20.4 -65.4 -36.9 29.9 35.5 2.7 26 44 A Y T <> S+ 0 0 8 -3,-0.8 4,-2.2 -6,-0.5 5,-0.2 0.606 97.9 89.6-112.1 -17.3 33.0 33.3 3.3 27 45 A A H X S+ 0 0 36 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.873 88.1 50.9 -56.0 -44.0 36.0 35.4 2.4 28 46 A P H > S+ 0 0 55 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.947 113.7 44.5 -62.5 -42.7 36.6 36.9 5.9 29 47 A A H > S+ 0 0 1 342,-0.4 4,-2.6 -4,-0.2 -2,-0.2 0.868 112.9 51.4 -66.3 -34.7 36.5 33.4 7.6 30 48 A V H X S+ 0 0 11 -4,-2.2 4,-2.7 -9,-0.3 -1,-0.2 0.909 108.6 52.2 -69.3 -40.6 38.8 31.9 4.8 31 49 A K H X S+ 0 0 130 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.937 111.7 45.9 -57.9 -49.3 41.2 34.7 5.4 32 50 A T H X S+ 0 0 19 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.906 110.4 53.5 -63.4 -42.0 41.3 34.0 9.1 33 51 A L H X S+ 0 0 3 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.925 109.9 47.7 -56.6 -46.6 41.6 30.3 8.5 34 52 A L H X S+ 0 0 43 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.872 110.0 52.8 -69.0 -32.8 44.7 30.9 6.3 35 53 A R H X S+ 0 0 119 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.900 110.1 48.5 -62.4 -45.4 46.2 33.2 9.0 36 54 A D H X S+ 0 0 50 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.908 111.2 49.6 -58.0 -45.1 45.8 30.5 11.5 37 55 A A H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.893 107.9 54.2 -63.2 -40.1 47.4 28.0 9.2 38 56 A D H X S+ 0 0 61 -4,-2.3 4,-0.7 2,-0.2 -1,-0.2 0.890 108.3 48.9 -61.3 -39.9 50.3 30.4 8.6 39 57 A K H >X S+ 0 0 136 -4,-2.0 3,-1.1 1,-0.2 4,-0.5 0.922 107.6 55.8 -63.0 -41.3 50.8 30.6 12.4 40 58 A A H >< S+ 0 0 4 -4,-2.2 3,-1.1 1,-0.3 -2,-0.2 0.837 97.4 63.7 -57.9 -38.8 50.7 26.7 12.5 41 59 A L H 3< S+ 0 0 47 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.825 101.7 51.0 -51.5 -35.7 53.6 26.7 9.9 42 60 A K H << S+ 0 0 181 -3,-1.1 -1,-0.2 -4,-0.7 -2,-0.2 0.603 91.4 101.8 -79.0 -18.4 55.8 28.4 12.5 43 61 A X S << S- 0 0 69 -3,-1.1 -3,-0.0 -4,-0.5 0, 0.0 -0.392 72.2-127.9 -69.9 146.7 55.0 25.8 15.3 44 62 A T - 0 0 124 -2,-0.1 -2,-0.1 1,-0.0 -1,-0.1 -0.859 32.4-114.7 -91.1 122.3 57.4 23.0 16.3 45 63 A P - 0 0 26 0, 0.0 2,-0.1 0, 0.0 55,-0.0 -0.387 35.3-148.8 -57.0 120.9 55.5 19.7 16.2 46 64 A P - 0 0 8 0, 0.0 2,-0.3 0, 0.0 94,-0.0 -0.239 13.9-167.1 -85.2 179.5 55.4 18.3 19.7 47 65 A S > - 0 0 3 94,-0.1 3,-1.8 -2,-0.1 4,-0.3 -0.958 41.7 -95.9-156.6 167.0 55.4 14.7 20.9 48 66 A V G > S+ 0 0 0 92,-0.7 3,-0.5 -2,-0.3 93,-0.1 0.622 115.8 72.6 -63.7 -12.3 54.7 12.4 23.8 49 67 A X G 3 S+ 0 0 60 91,-0.4 -1,-0.3 1,-0.2 12,-0.1 0.640 80.9 74.9 -72.4 -12.8 58.5 12.5 24.4 50 68 A D G < S+ 0 0 75 -3,-1.8 -1,-0.2 90,-0.1 -2,-0.1 0.761 72.0 94.0 -78.4 -27.0 58.2 16.1 25.6 51 69 A K S < S- 0 0 7 -3,-0.5 45,-0.1 -4,-0.3 44,-0.1 -0.294 70.6-139.5 -63.8 147.9 56.8 15.3 29.1 52 70 A T S S+ 0 0 123 43,-0.6 -1,-0.1 2,-0.0 2,-0.1 0.847 81.7 65.5 -80.2 -31.3 59.2 15.1 32.0 53 71 A X S S- 0 0 107 42,-0.3 2,-0.4 11,-0.1 -2,-0.1 -0.427 71.7-141.3 -87.6 164.2 57.5 12.0 33.6 54 72 A T - 0 0 56 -2,-0.1 6,-0.1 9,-0.0 9,-0.1 -0.967 22.9-110.2-124.5 138.5 57.0 8.5 32.3 55 73 A A > - 0 0 4 -2,-0.4 3,-2.3 4,-0.4 104,-0.1 -0.173 40.8 -99.7 -55.2 161.0 54.0 6.2 32.6 56 74 A D T 3 S+ 0 0 123 102,-0.5 -1,-0.1 1,-0.3 103,-0.1 0.453 118.8 74.8 -74.5 3.1 54.3 3.2 34.9 57 75 A S T 3 S- 0 0 51 2,-0.2 -1,-0.3 5,-0.0 3,-0.1 0.568 104.6-128.8 -73.8 -15.8 54.9 1.0 31.9 58 76 A G S < S+ 0 0 62 -3,-2.3 2,-0.7 1,-0.2 -2,-0.1 0.491 73.7 119.8 74.3 2.4 58.4 2.6 31.8 59 77 A D > - 0 0 62 1,-0.1 3,-2.0 -4,-0.0 -4,-0.4 -0.885 51.2-162.6-107.1 108.4 57.8 3.4 28.1 60 78 A K T 3 S+ 0 0 55 -2,-0.7 -9,-0.1 1,-0.3 -1,-0.1 0.739 88.5 70.1 -55.9 -27.3 57.9 7.2 27.3 61 79 A H T 3 S+ 0 0 38 81,-0.1 82,-2.7 2,-0.1 2,-0.5 0.581 78.6 97.8 -70.9 -13.7 56.1 6.5 24.0 62 80 A D S < S- 0 0 11 -3,-2.0 -7,-0.3 80,-0.2 84,-0.1 -0.679 85.0-115.0 -71.2 124.3 52.9 5.6 26.1 63 81 A Y - 0 0 0 82,-0.5 85,-0.5 -2,-0.5 2,-0.4 -0.348 37.0-173.4 -53.1 134.3 50.5 8.5 26.3 64 82 A X E +a 148 0A 16 -4,-0.1 33,-2.6 83,-0.1 34,-0.3 -0.993 10.6 161.0-138.9 129.9 50.0 9.8 29.8 65 83 A S E - 0 0 0 83,-1.7 86,-2.2 -2,-0.4 2,-0.4 -0.894 30.1-121.5-136.5 169.2 47.6 12.4 31.0 66 84 A X E -a 151 0A 13 -2,-0.3 86,-0.2 84,-0.3 84,-0.1 -0.924 35.2-100.2-113.5 140.5 46.1 13.5 34.4 67 85 A G > - 0 0 0 84,-2.5 3,-1.7 -2,-0.4 23,-0.2 -0.382 37.6-142.7 -53.6 112.6 42.5 13.7 35.4 68 86 A P T 3 S+ 0 0 32 0, 0.0 22,-3.0 0, 0.0 25,-0.2 0.782 92.4 50.7 -59.5 -29.7 41.9 17.4 34.9 69 87 A Y T 3 S+ 0 0 35 20,-0.2 16,-3.0 2,-0.0 2,-0.5 0.250 88.2 103.6 -94.4 13.8 39.6 18.0 37.9 70 88 A W E < +B 84 0B 40 -3,-1.7 14,-0.2 14,-0.2 20,-0.1 -0.867 46.2 173.8-108.8 128.9 41.9 16.3 40.4 71 89 A W E -B 83 0B 77 12,-2.8 12,-2.7 -2,-0.5 -2,-0.0 -0.905 39.3 -83.7-132.2 151.3 44.0 18.3 42.8 72 90 A P - 0 0 54 0, 0.0 8,-0.2 0, 0.0 10,-0.1 -0.265 44.4-125.2 -50.4 139.1 46.3 17.9 45.8 73 91 A D > - 0 0 18 6,-2.0 3,-1.8 8,-0.2 6,-0.3 -0.858 11.8-152.7 -92.4 116.1 44.3 17.6 49.1 74 92 A P T 3 S+ 0 0 125 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.715 90.7 65.8 -65.0 -17.8 45.6 20.2 51.5 75 93 A S T 3 S+ 0 0 85 4,-0.1 5,-0.0 3,-0.1 -2,-0.0 0.473 91.5 77.3 -82.1 0.3 44.6 18.1 54.6 76 94 A K S X S- 0 0 80 -3,-1.8 3,-2.0 1,-0.1 -3,-0.0 -0.922 85.2-124.2-117.3 140.6 47.3 15.4 53.6 77 95 A P T 3 S+ 0 0 139 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.701 111.1 22.0 -56.4 -31.3 51.0 15.8 54.2 78 96 A D T 3 S- 0 0 109 2,-0.3 -3,-0.1 -5,-0.1 -5,-0.0 0.016 114.4-104.6-120.8 20.5 52.1 15.2 50.6 79 97 A G < + 0 0 9 -3,-2.0 -6,-2.0 -6,-0.3 -4,-0.1 0.505 66.7 176.0 67.6 7.2 48.7 16.2 49.0 80 98 A L + 0 0 66 -8,-0.2 -2,-0.3 2,-0.1 -1,-0.2 -0.763 45.7 29.9-111.8 146.8 47.9 12.5 48.3 81 99 A P S S- 0 0 47 0, 0.0 73,-0.2 0, 0.0 -8,-0.2 0.594 90.4-125.6 -75.6 160.0 45.7 11.1 47.2 82 100 A Y - 0 0 20 71,-2.3 2,-0.3 -10,-0.1 -2,-0.1 -0.181 22.6-147.1 -64.6 156.6 44.3 13.8 45.0 83 101 A I E -B 71 0B 51 -12,-2.7 -12,-2.8 -3,-0.0 2,-0.3 -0.916 17.0-104.9-126.6 157.0 40.7 14.8 45.3 84 102 A R E -B 70 0B 118 -2,-0.3 2,-0.4 -14,-0.2 -14,-0.2 -0.662 24.0-178.9 -93.1 136.4 38.1 16.0 42.7 85 103 A K > - 0 0 94 -16,-3.0 3,-2.2 -2,-0.3 -1,-0.0 -0.848 33.9-134.0-127.3 89.8 36.9 19.6 42.3 86 104 A D T 3 S+ 0 0 20 -2,-0.4 3,-0.1 1,-0.3 -16,-0.0 -0.130 83.7 10.2 -53.6 129.6 34.4 19.2 39.4 87 105 A G T 3 S+ 0 0 1 1,-0.1 2,-0.6 186,-0.1 -1,-0.3 0.333 100.9 106.4 85.4 -5.7 34.8 21.9 36.7 88 106 A Q < - 0 0 109 -3,-2.2 2,-0.5 -19,-0.1 -3,-0.3 -0.914 61.6-145.7-111.1 111.6 38.1 23.2 38.0 89 107 A R - 0 0 156 -2,-0.6 -20,-0.2 -20,-0.1 -3,-0.0 -0.651 9.6-135.6 -85.5 119.4 41.1 22.2 35.8 90 108 A N > - 0 0 4 -22,-3.0 3,-2.0 -2,-0.5 4,-0.2 -0.584 9.0-144.4 -73.3 116.5 44.4 21.6 37.7 91 109 A P G > S+ 0 0 95 0, 0.0 3,-1.6 0, 0.0 4,-0.1 0.636 90.1 81.6 -63.5 -11.8 47.1 23.3 35.6 92 110 A E G > S+ 0 0 49 1,-0.3 3,-2.2 2,-0.2 4,-0.3 0.748 73.0 77.5 -61.3 -25.2 49.6 20.5 36.6 93 111 A L G X S+ 0 0 19 -3,-2.0 3,-1.7 1,-0.3 5,-0.4 0.796 78.3 73.7 -55.2 -23.9 48.0 18.5 33.7 94 112 A D G < S+ 0 0 104 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.691 82.8 67.4 -63.6 -19.8 50.1 20.7 31.5 95 113 A K G < S+ 0 0 112 -3,-2.2 -43,-0.6 -4,-0.1 -42,-0.3 0.722 100.5 57.0 -69.6 -23.8 53.2 18.7 32.5 96 114 A L S < S- 0 0 13 -3,-1.7 4,-0.4 -4,-0.3 -31,-0.2 0.095 105.9 -80.6 -99.7-153.4 51.9 15.6 30.8 97 115 A D S > S+ 0 0 0 -33,-2.6 4,-2.4 1,-0.2 5,-0.2 0.569 96.8 90.5 -92.8 -12.6 50.8 14.8 27.2 98 116 A R H > S+ 0 0 79 -5,-0.4 4,-2.1 -34,-0.3 -1,-0.2 0.911 90.4 39.8 -58.0 -51.7 47.3 16.3 27.0 99 117 A N H > S+ 0 0 59 -6,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.875 114.5 53.0 -70.1 -35.2 47.9 19.8 25.8 100 118 A K H > S+ 0 0 73 -4,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.909 109.3 50.8 -62.2 -41.2 50.6 18.8 23.4 101 119 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.908 111.0 49.2 -62.8 -40.6 48.1 16.3 21.9 102 120 A G H X S+ 0 0 8 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.883 108.0 51.6 -64.3 -44.1 45.6 19.1 21.6 103 121 A D H X S+ 0 0 68 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.920 113.4 46.9 -57.3 -43.4 48.0 21.5 19.9 104 122 A X H X S+ 0 0 0 -4,-2.2 4,-3.1 2,-0.2 5,-0.3 0.958 112.9 47.1 -62.9 -54.2 48.8 18.7 17.3 105 123 A S H X S+ 0 0 2 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.920 115.6 45.3 -55.6 -50.0 45.2 17.8 16.7 106 124 A K H X S+ 0 0 137 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.874 112.6 51.7 -61.9 -41.1 44.2 21.4 16.3 107 125 A A H X S+ 0 0 5 -4,-2.4 4,-2.9 -5,-0.2 -2,-0.2 0.926 110.8 46.6 -65.2 -45.3 47.2 22.2 14.1 108 126 A V H X S+ 0 0 0 -4,-3.1 4,-3.2 2,-0.2 5,-0.3 0.909 113.4 49.5 -63.3 -39.9 46.5 19.3 11.7 109 127 A T H X S+ 0 0 5 -4,-2.2 4,-2.2 -5,-0.3 -2,-0.2 0.945 113.5 45.9 -62.0 -49.4 42.8 20.2 11.5 110 128 A T H X S+ 0 0 13 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.915 115.9 46.8 -52.7 -49.4 43.7 23.9 10.7 111 129 A L H X S+ 0 0 0 -4,-2.9 4,-2.7 2,-0.2 -2,-0.2 0.910 111.6 49.0 -67.6 -45.2 46.2 22.8 8.2 112 130 A G H X S+ 0 0 0 -4,-3.2 4,-2.4 2,-0.2 -1,-0.2 0.905 114.1 46.2 -59.4 -42.3 44.0 20.2 6.4 113 131 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 -5,-0.3 -2,-0.2 0.941 112.0 51.3 -66.8 -45.2 41.1 22.7 6.1 114 132 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 6,-0.4 0.913 111.1 48.9 -57.8 -43.6 43.6 25.5 4.9 115 133 A Y H X S+ 0 0 19 -4,-2.7 4,-3.6 2,-0.2 -1,-0.2 0.948 110.2 50.2 -59.5 -50.4 44.9 23.1 2.3 116 134 A Y H < S+ 0 0 17 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.925 116.4 42.6 -54.6 -44.2 41.3 22.2 1.2 117 135 A F H < S+ 0 0 19 -4,-2.7 -1,-0.2 1,-0.1 -2,-0.2 0.761 130.1 23.3 -74.0 -28.7 40.4 25.8 0.9 118 136 A S H < S- 0 0 50 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.2 0.662 83.0-137.0-113.2 -26.6 43.6 27.0 -0.8 119 137 A G < + 0 0 44 -4,-3.6 2,-0.8 -5,-0.3 -4,-0.1 0.570 52.2 149.6 69.9 10.1 45.2 24.0 -2.6 120 138 A D >> - 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0 0 52 -2,-2.1 4,-2.7 1,-0.1 5,-0.2 -0.209 45.9-105.6 -80.7 167.8 51.4 10.2 0.4 189 207 A P H > S+ 0 0 114 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.843 122.5 54.9 -57.2 -36.1 50.2 6.6 0.3 190 208 A K H > S+ 0 0 168 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.918 110.6 44.0 -64.0 -46.4 52.9 5.7 2.8 191 209 A V H > S+ 0 0 7 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.917 115.0 49.5 -64.4 -43.1 51.6 8.4 5.3 192 210 A K H X S+ 0 0 71 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.914 111.9 48.2 -64.0 -41.5 48.0 7.3 4.7 193 211 A K H X S+ 0 0 133 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.895 110.5 52.4 -64.2 -41.3 48.9 3.7 5.2 194 212 A G H X S+ 0 0 13 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.908 111.3 45.9 -59.3 -47.3 50.8 4.6 8.4 195 213 A X H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.894 111.0 51.8 -65.1 -42.5 47.8 6.5 9.9 196 214 A K H X S+ 0 0 75 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.896 110.3 49.2 -64.9 -35.6 45.3 3.8 9.0 197 215 A E H X S+ 0 0 89 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.887 109.5 51.9 -69.3 -37.8 47.5 1.2 10.7 198 216 A W H X S+ 0 0 9 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.957 113.8 43.6 -64.5 -47.6 47.8 3.4 13.9 199 217 A F H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.858 110.0 56.6 -66.3 -33.1 44.0 3.8 14.0 200 218 A T H X S+ 0 0 50 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.950 110.5 44.8 -58.9 -47.3 43.5 0.0 13.3 201 219 A Q H X S+ 0 0 107 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.872 111.0 53.8 -66.6 -37.5 45.7 -0.8 16.3 202 220 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.948 109.5 47.7 -61.0 -45.9 43.9 1.8 18.4 203 221 A V H X S+ 0 0 6 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.914 110.0 52.2 -64.5 -38.8 40.5 0.3 17.5 204 222 A E H X S+ 0 0 117 -4,-2.3 4,-0.8 1,-0.2 -1,-0.2 0.887 111.6 48.0 -62.8 -36.8 41.8 -3.3 18.4 205 223 A W H >X S+ 0 0 34 -4,-2.0 4,-3.2 -61,-0.2 3,-0.9 0.930 109.7 51.5 -67.6 -44.9 42.9 -1.9 21.7 206 224 A X H 3< S+ 0 0 3 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.848 109.9 51.5 -57.3 -36.2 39.5 -0.2 22.3 207 225 A Q H 3< S+ 0 0 104 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.664 124.7 23.1 -79.0 -18.7 37.8 -3.4 21.6 208 226 A T H << S+ 0 0 118 -3,-0.9 -2,-0.2 -4,-0.8 -3,-0.2 0.643 92.0 106.6-120.2 -24.7 39.9 -5.6 24.1 209 227 A S X - 0 0 8 -4,-3.2 4,-2.1 -5,-0.2 5,-0.1 -0.322 58.3-145.5 -66.7 136.4 41.4 -3.3 26.8 210 228 A P H > S+ 0 0 101 0, 0.0 4,-1.1 0, 0.0 -48,-0.1 0.782 104.1 53.6 -65.0 -25.9 40.0 -3.3 30.4 211 229 A V H >> S+ 0 0 9 2,-0.2 4,-1.0 1,-0.2 3,-0.7 0.962 111.0 43.0 -73.3 -51.8 40.7 0.5 30.5 212 230 A A H 3> S+ 0 0 0 1,-0.2 4,-2.2 -7,-0.2 3,-0.2 0.818 107.1 63.1 -59.1 -34.6 38.8 1.2 27.3 213 231 A A H 3X S+ 0 0 30 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.866 96.4 59.4 -58.4 -35.5 36.1 -1.2 28.6 214 232 A E H << S+ 0 0 77 -4,-1.1 4,-0.3 -3,-0.7 -1,-0.2 0.899 108.7 43.1 -58.8 -43.6 35.6 1.3 31.6 215 233 A E H >< S+ 0 0 4 -4,-1.0 3,-1.1 -3,-0.2 11,-0.2 0.884 108.9 57.2 -70.5 -40.4 34.7 4.0 29.1 216 234 A Q H 3< S+ 0 0 61 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.898 111.3 43.9 -56.8 -40.4 32.5 1.8 27.0 217 235 A R T 3< S+ 0 0 151 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.458 84.9 125.1 -82.4 -7.5 30.4 1.0 30.1 218 236 A A < - 0 0 22 -3,-1.1 8,-0.1 -4,-0.3 -3,-0.1 -0.325 53.1-149.7 -56.2 140.5 30.3 4.7 31.2 219 237 A K S S+ 0 0 161 4,-0.1 -1,-0.1 3,-0.1 48,-0.1 0.543 71.3 49.0 -90.7 -14.1 26.7 5.9 31.7 220 238 A N S >> S- 0 0 32 47,-0.1 4,-1.7 48,-0.0 3,-1.2 -0.142 116.9 -46.4-111.9-154.9 27.2 9.6 30.9 221 239 A N H 3> S+ 0 0 1 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.723 128.1 64.0 -53.4 -27.0 28.8 11.7 28.1 222 240 A H H 3> S+ 0 0 35 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.889 104.6 43.8 -64.4 -46.1 31.9 9.5 28.3 223 241 A G H <> S+ 0 0 0 -3,-1.2 4,-1.7 2,-0.2 -2,-0.2 0.905 115.0 48.5 -62.8 -47.9 30.0 6.4 27.1 224 242 A L H X S+ 0 0 0 -4,-1.7 4,-1.5 1,-0.2 3,-0.2 0.944 112.8 48.8 -60.3 -46.7 28.2 8.3 24.4 225 243 A A H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.837 105.0 60.4 -60.7 -36.3 31.5 9.8 23.2 226 244 A Y H X S+ 0 0 6 -4,-1.8 4,-2.8 -11,-0.2 -1,-0.2 0.921 104.5 47.8 -58.1 -44.6 33.1 6.4 23.2 227 245 A D H X S+ 0 0 6 -4,-1.7 4,-2.4 -3,-0.2 -1,-0.2 0.862 109.4 52.9 -67.4 -39.6 30.7 5.1 20.6 228 246 A V H X S+ 0 0 0 -4,-1.5 4,-2.7 2,-0.2 -1,-0.2 0.921 113.4 44.5 -60.6 -43.0 31.1 8.1 18.4 229 247 A Q H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 5,-0.3 0.957 111.7 51.1 -66.2 -49.1 34.9 7.6 18.4 230 248 A L H X S+ 0 0 8 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.923 113.6 47.4 -55.1 -44.4 34.7 3.8 17.9 231 249 A T H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.937 113.1 45.7 -63.1 -51.6 32.4 4.5 14.9 232 250 A A H X S+ 0 0 6 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.887 116.0 45.6 -60.8 -42.0 34.5 7.2 13.3 233 251 A Y H X S+ 0 0 0 -4,-2.9 4,-1.8 2,-0.2 6,-0.2 0.863 110.9 54.1 -73.6 -35.2 37.8 5.2 13.8 234 252 A A H <>S+ 0 0 0 -4,-2.4 5,-2.7 -5,-0.3 4,-0.3 0.920 110.0 47.2 -61.0 -43.5 36.1 2.0 12.4 235 253 A L H ><5S+ 0 0 15 -4,-2.3 3,-1.6 1,-0.2 -2,-0.2 0.948 110.8 51.6 -65.6 -45.7 35.0 3.9 9.3 236 254 A Y H 3<5S+ 0 0 22 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.840 112.0 46.9 -55.5 -36.0 38.5 5.4 8.8 237 255 A T T 3<5S- 0 0 26 -4,-1.8 -1,-0.3 -38,-0.1 -2,-0.2 0.334 119.9-106.5 -95.4 4.3 40.1 1.9 9.1 238 256 A G T < 5S+ 0 0 58 -3,-1.6 2,-1.4 -4,-0.3 3,-0.2 0.499 77.5 133.2 87.0 8.7 37.6 0.2 6.7 239 257 A N >< + 0 0 63 -5,-2.7 4,-1.8 -6,-0.2 3,-0.2 -0.566 17.6 160.1 -96.9 73.8 35.7 -1.7 9.3 240 258 A Q H > + 0 0 97 -2,-1.4 4,-3.0 1,-0.2 5,-0.2 0.784 69.1 60.4 -64.2 -32.0 32.1 -0.8 8.2 241 259 A D H > S+ 0 0 136 -3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.908 106.9 44.6 -64.9 -43.8 30.5 -3.7 10.0 242 260 A L H > S+ 0 0 17 -3,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.898 115.1 49.9 -62.7 -41.8 31.8 -2.4 13.4 243 261 A A H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.957 112.0 47.1 -59.2 -53.4 30.6 1.1 12.4 244 262 A X H X S+ 0 0 50 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.878 113.5 48.5 -55.4 -44.5 27.1 -0.1 11.3 245 263 A K H X S+ 0 0 109 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.895 110.4 49.1 -66.0 -42.6 26.7 -2.2 14.5 246 264 A T H X S+ 0 0 9 -4,-2.1 4,-0.8 1,-0.2 -2,-0.2 0.897 113.2 49.0 -66.1 -39.2 27.7 0.6 16.8 247 265 A I H >< S+ 0 0 1 -4,-2.2 3,-0.7 2,-0.2 -2,-0.2 0.923 110.3 50.1 -61.6 -45.1 25.3 3.0 15.0 248 266 A Q H 3< S+ 0 0 121 -4,-2.3 4,-0.3 1,-0.2 -2,-0.2 0.861 114.6 43.6 -67.9 -34.5 22.4 0.6 15.2 249 267 A E H 3X S+ 0 0 74 -4,-1.9 4,-2.6 1,-0.2 5,-0.3 0.580 93.3 88.0 -82.3 -12.6 22.9 -0.0 18.9 250 268 A F H S+ 0 0 0 -4,-0.8 4,-2.7 -3,-0.7 5,-1.6 0.846 80.9 53.0 -64.5 -42.0 23.4 3.7 19.8 251 269 A P H 4>S+ 0 0 18 0, 0.0 5,-3.6 0, 0.0 6,-0.4 0.958 119.4 34.8 -59.6 -46.6 19.8 4.9 20.4 252 270 A E H 45S+ 0 0 142 -4,-0.3 -2,-0.2 3,-0.2 5,-0.1 0.921 123.1 44.1 -71.9 -44.2 19.1 2.1 22.9 253 271 A K H <5S+ 0 0 81 -4,-2.6 -3,-0.2 3,-0.1 -1,-0.2 0.858 136.2 3.2 -71.7 -33.8 22.6 2.0 24.5 254 272 A R T X5S+ 0 0 8 -4,-2.7 4,-1.9 -5,-0.3 5,-0.2 0.810 125.7 45.8-121.6 -57.6 23.1 5.8 24.7 255 273 A L H > - 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