==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 05-JAN-12 3VDH . COMPND 2 MOLECULE: B-1,4-ENDOGLUCANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PREVOTELLA BRYANTII; . AUTHOR P.J.STOGIOS,E.EVDOKIMOVA,O.EGOROVA,V.YIM,A.JOACHIMIAK,A.M.ED . 693 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25803.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 470 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 84 12.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.2 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 . 4 0.6 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 . 27 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 92 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 227 32.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.2 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 4 0 0 2 2 0 2 0 0 0 0 0 4 1 1 2 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 0 10 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 PARALLEL BRIDGES PER LADDER . 4 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 2 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 7 A T 0 0 148 0, 0.0 2,-0.4 0, 0.0 146,-0.2 0.000 360.0 360.0 360.0 134.7 2.9 34.4 -12.6 2 8 A Y - 0 0 42 144,-0.2 2,-0.5 145,-0.1 144,-0.1 -0.619 360.0-176.3 -76.4 123.9 -0.1 35.4 -10.6 3 9 A X - 0 0 124 -2,-0.4 -1,-0.0 2,-0.0 144,-0.0 -0.882 24.4-133.5-124.2 97.6 -3.3 33.5 -11.6 4 10 A E + 0 0 112 -2,-0.5 2,-0.3 193,-0.0 193,-0.1 -0.069 31.7 173.8 -46.3 140.1 -6.2 34.9 -9.6 5 11 A E - 0 0 33 191,-0.3 5,-0.0 142,-0.1 -1,-0.0 -0.994 33.3 -93.2-151.3 154.2 -8.5 32.3 -7.9 6 12 A S > - 0 0 46 -2,-0.3 4,-2.1 1,-0.1 220,-0.2 -0.235 33.6-116.8 -64.3 155.7 -11.4 32.2 -5.6 7 13 A A H > S+ 0 0 2 218,-2.9 4,-2.5 1,-0.2 5,-0.2 0.889 117.8 53.0 -57.0 -42.3 -11.0 31.8 -1.9 8 14 A Q H > S+ 0 0 63 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.876 105.5 53.9 -63.0 -38.2 -12.9 28.5 -2.0 9 15 A S H > S+ 0 0 39 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.933 109.9 48.4 -60.7 -44.8 -10.5 27.3 -4.8 10 16 A A H >X S+ 0 0 0 -4,-2.1 4,-1.2 2,-0.2 3,-1.1 0.970 111.9 47.4 -56.8 -58.5 -7.6 28.1 -2.5 11 17 A V H 3X S+ 0 0 1 -4,-2.5 4,-0.5 1,-0.3 3,-0.4 0.862 110.7 52.3 -51.8 -42.0 -9.1 26.3 0.5 12 18 A D H 3< S+ 0 0 72 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.752 111.5 48.3 -69.7 -21.0 -9.9 23.3 -1.6 13 19 A N H << S+ 0 0 81 -4,-1.2 -1,-0.2 -3,-1.1 -2,-0.2 0.619 90.1 81.9 -92.6 -14.9 -6.3 23.2 -2.8 14 20 A F H < + 0 0 0 -4,-1.2 47,-0.7 -3,-0.4 86,-0.2 0.836 63.9 171.1 -55.8 -39.1 -4.7 23.5 0.7 15 21 A G B < +A 60 0A 5 -4,-0.5 300,-0.7 -3,-0.2 2,-0.4 -0.354 59.6 3.4 58.7-137.2 -5.1 19.8 1.5 16 22 A L E S-bc 60 315A 3 43,-0.5 45,-2.1 298,-0.1 46,-1.2 -0.673 82.1-162.2 -77.5 128.9 -3.2 18.8 4.7 17 23 A G E -bc 62 316A 0 298,-1.2 300,-2.4 -2,-0.4 2,-0.4 -0.789 9.8-158.7-117.1 160.9 -1.8 21.9 6.3 18 24 A F E -bc 63 317A 0 44,-1.5 46,-2.9 298,-0.3 2,-0.6 -0.996 13.7-135.6-140.2 138.3 0.9 22.5 8.9 19 25 A N E -bc 64 318A 0 298,-3.0 2,-2.2 -2,-0.4 300,-1.0 -0.878 8.1-149.5 -92.4 120.3 1.8 25.4 11.4 20 26 A L > - 0 0 3 44,-2.5 3,-0.5 -2,-0.6 4,-0.5 -0.493 42.3-178.8 -80.3 67.0 5.5 26.3 11.6 21 27 A G T 3 + 0 0 0 -2,-2.2 5,-0.0 1,-0.2 44,-0.0 -0.246 47.9 21.3 -80.1 160.5 4.8 27.3 15.2 22 28 A N T 3 S+ 0 0 25 1,-0.1 22,-0.5 21,-0.0 20,-0.4 0.793 105.9 91.8 57.7 34.1 7.1 28.8 17.8 23 29 A T S X S+ 0 0 0 -3,-0.5 3,-1.4 43,-0.2 18,-0.2 0.492 99.0 2.6-120.1 -97.8 9.4 29.9 15.0 24 30 A L T 3 S+ 0 0 2 -4,-0.5 44,-2.2 42,-0.3 43,-0.1 0.659 132.1 60.8 -73.0 -10.3 9.0 33.4 13.5 25 31 A D T 3 S+ 0 0 0 42,-0.3 -1,-0.3 -5,-0.3 82,-0.2 0.560 79.4 112.2 -81.7 -14.9 6.2 33.9 16.1 26 32 A A < + 0 0 0 -3,-1.4 2,-0.3 40,-0.2 42,-0.2 -0.361 44.7 158.3 -60.8 143.7 8.8 33.4 19.0 27 33 A N + 0 0 11 1,-0.1 -2,-0.1 14,-0.1 42,-0.0 -0.976 26.1 88.3-162.3 161.3 9.3 36.6 21.0 28 34 A G + 0 0 34 -2,-0.3 3,-0.1 2,-0.1 -1,-0.1 0.375 59.3 103.5 122.7 -1.5 10.5 38.1 24.2 29 35 A C S S- 0 0 21 1,-0.3 2,-0.1 -3,-0.1 9,-0.0 0.473 85.1-118.7 -86.6 0.2 14.2 38.6 23.8 30 36 A G - 0 0 27 3,-0.0 3,-0.5 2,-0.0 -1,-0.3 -0.269 40.0 -48.1 90.3-179.2 13.7 42.3 23.2 31 37 A T S S+ 0 0 96 1,-0.2 41,-0.1 -3,-0.1 40,-0.1 -0.381 107.4 32.3 -88.6 163.2 14.5 44.5 20.3 32 38 A G S S+ 0 0 66 39,-0.6 -1,-0.2 1,-0.2 40,-0.1 0.609 79.5 137.6 73.4 13.2 17.6 44.9 18.2 33 39 A K - 0 0 94 -3,-0.5 -1,-0.2 38,-0.2 5,-0.1 -0.510 64.7 -84.1 -86.0 161.3 18.7 41.2 18.4 34 40 A P >> - 0 0 87 0, 0.0 3,-1.3 0, 0.0 4,-0.9 -0.321 42.3-115.1 -57.6 146.0 20.1 39.2 15.5 35 41 A V H >> S+ 0 0 37 1,-0.3 4,-1.7 2,-0.2 3,-1.2 0.891 114.8 56.1 -51.6 -46.7 17.3 37.6 13.4 36 42 A A H 3> S+ 0 0 32 1,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.740 95.6 66.4 -60.9 -25.8 18.3 34.1 14.4 37 43 A T H <4 S+ 0 0 50 -3,-1.3 -1,-0.3 1,-0.2 4,-0.2 0.862 106.8 41.0 -66.4 -34.7 18.0 34.9 18.1 38 44 A Y H X< S+ 0 0 2 -3,-1.2 3,-1.2 -4,-0.9 4,-0.4 0.928 112.5 53.5 -73.7 -46.3 14.2 35.4 17.6 39 45 A E H 3< S+ 0 0 0 -4,-1.7 5,-0.3 1,-0.3 3,-0.3 0.828 119.8 33.0 -64.8 -31.1 13.8 32.4 15.3 40 46 A T T >< S+ 0 0 46 -4,-2.0 3,-2.1 -5,-0.2 -1,-0.3 0.371 87.9 104.0-102.4 4.9 15.4 30.0 17.8 41 47 A F T < S+ 0 0 20 -3,-1.2 587,-0.2 1,-0.3 -1,-0.2 0.775 85.0 44.2 -65.5 -25.4 14.3 31.7 21.0 42 48 A W T 3 S- 0 0 12 -4,-0.4 -1,-0.3 -20,-0.4 -2,-0.1 0.063 127.0 -93.7-108.1 25.5 11.6 29.1 21.7 43 49 A G S < S+ 0 0 36 -3,-2.1 -2,-0.1 546,-0.3 -3,-0.1 0.383 82.4 127.9 89.3 -3.0 13.9 26.1 20.9 44 50 A Q - 0 0 13 -22,-0.5 -1,-0.3 -5,-0.3 -2,-0.1 -0.521 60.2-110.3 -84.7 154.3 13.1 25.5 17.2 45 51 A P - 0 0 28 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.395 43.9 -85.5 -75.9 160.8 15.8 25.2 14.5 46 52 A E - 0 0 102 1,-0.1 2,-0.1 -2,-0.1 -10,-0.0 -0.448 56.1-104.5 -60.7 140.3 16.3 27.9 11.9 47 53 A T - 0 0 3 -2,-0.1 2,-0.3 -3,-0.1 -1,-0.1 -0.370 42.1-172.2 -73.5 145.4 13.9 27.2 9.0 48 54 A T >> - 0 0 56 279,-0.1 4,-1.0 -2,-0.1 3,-0.6 -0.878 38.1-110.4-133.5 165.6 15.3 25.8 5.7 49 55 A Q H >> S+ 0 0 55 -2,-0.3 4,-2.5 1,-0.2 3,-0.6 0.913 114.3 62.2 -59.1 -44.6 14.2 25.0 2.2 50 56 A D H 3> S+ 0 0 110 1,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.783 97.6 58.8 -55.6 -30.1 14.5 21.2 2.8 51 57 A X H <> S+ 0 0 1 -3,-0.6 4,-1.8 2,-0.2 -1,-0.3 0.934 109.1 42.1 -66.9 -43.4 11.8 21.6 5.5 52 58 A X H <>S+ 0 0 1 -4,-1.8 5,-2.1 2,-0.2 3,-0.7 0.964 113.8 42.2 -57.9 -50.9 6.2 19.0 3.6 56 62 A X H ><5S+ 0 0 35 -4,-2.2 3,-1.3 1,-0.2 -2,-0.2 0.928 114.6 50.4 -62.7 -44.5 5.2 19.0 -0.1 57 63 A Q H 3<5S+ 0 0 143 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.611 109.6 53.6 -72.5 -10.7 6.9 15.6 -0.8 58 64 A N T <<5S- 0 0 60 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.015 128.2 -81.5-119.9 28.5 5.2 14.0 2.2 59 65 A G T < 5S+ 0 0 36 -3,-1.3 -43,-0.5 1,-0.3 2,-0.3 0.550 88.7 118.2 99.2 11.3 1.6 14.8 1.4 60 66 A F E < -Ab 15 16A 0 -5,-2.1 -1,-0.3 -6,-0.2 -43,-0.2 -0.836 32.7-178.6-108.4 146.6 1.0 18.4 2.7 61 67 A N E + 0 0 67 -45,-2.1 39,-2.6 -47,-0.7 2,-0.3 0.403 64.0 44.2-125.3 1.4 0.0 21.2 0.4 62 68 A A E -db 100 17A 1 -46,-1.2 -44,-1.5 37,-0.2 2,-0.4 -0.997 53.5-167.3-150.5 144.3 -0.1 24.3 2.7 63 69 A V E -db 101 18A 0 37,-2.4 39,-1.8 -2,-0.3 2,-0.5 -0.987 13.4-147.1-131.8 134.6 1.9 25.8 5.5 64 70 A R E -db 102 19A 0 -46,-2.9 -44,-2.5 -2,-0.4 39,-0.2 -0.925 11.8-160.0 -99.4 130.5 0.9 28.6 8.0 65 71 A I E -d 103 0A 1 37,-3.5 39,-1.2 -2,-0.5 2,-0.1 -0.859 7.3-155.9-111.8 89.2 3.9 30.8 8.9 66 72 A P - 0 0 0 0, 0.0 2,-0.4 0, 0.0 -42,-0.3 -0.444 14.1-171.1 -63.6 135.8 3.0 32.6 12.2 67 73 A V - 0 0 0 -42,-0.1 39,-2.9 -2,-0.1 2,-0.5 -0.996 15.7-155.8-132.8 133.6 5.0 35.8 12.5 68 74 A T + 0 0 2 -44,-2.2 37,-0.1 -2,-0.4 -42,-0.0 -0.921 14.7 179.2-108.1 130.5 5.3 38.1 15.6 69 75 A W > + 0 0 0 -2,-0.5 3,-2.0 1,-0.1 4,-0.1 0.674 50.2 88.8-108.5 -22.5 6.2 41.6 14.6 70 76 A Y G > S+ 0 0 44 1,-0.3 3,-1.4 2,-0.2 -1,-0.1 0.826 88.9 51.1 -59.6 -37.2 6.4 44.0 17.6 71 77 A E G 3 S+ 0 0 11 1,-0.3 -39,-0.6 -40,-0.1 -1,-0.3 0.597 109.8 55.0 -74.5 -7.3 10.1 43.4 18.6 72 78 A H G < S+ 0 0 4 -3,-2.0 8,-2.9 -41,-0.1 2,-0.4 0.225 94.0 86.8-104.9 8.4 10.9 44.1 14.9 73 79 A X B < -J 79 0B 21 -3,-1.4 6,-0.2 6,-0.2 2,-0.1 -0.911 66.4-142.3-113.2 137.6 9.2 47.5 14.8 74 80 A D > - 0 0 63 4,-2.0 3,-2.1 -2,-0.4 -2,-0.1 -0.229 45.2 -84.5 -79.3-178.1 10.6 50.9 15.7 75 81 A A T 3 S+ 0 0 82 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.779 131.3 53.8 -59.9 -28.5 8.6 53.6 17.4 76 82 A E T 3 S- 0 0 118 2,-0.1 -1,-0.3 54,-0.0 3,-0.1 0.399 120.6-107.0 -88.7 -0.6 7.2 54.7 14.1 77 83 A G < + 0 0 0 -3,-2.1 2,-0.3 1,-0.3 -2,-0.1 0.484 68.4 149.7 88.8 2.7 6.0 51.2 13.2 78 84 A N - 0 0 60 1,-0.1 -4,-2.0 59,-0.0 2,-0.4 -0.546 44.5-130.7 -70.7 132.7 8.7 50.6 10.6 79 85 A V B -J 73 0B 13 -2,-0.3 -6,-0.2 -6,-0.2 -9,-0.1 -0.691 28.3-104.8 -85.5 132.5 9.7 46.9 10.3 80 86 A D >> - 0 0 69 -8,-2.9 4,-2.0 -2,-0.4 3,-0.5 -0.293 26.4-132.6 -55.4 134.6 13.4 46.2 10.5 81 87 A E H 3> S+ 0 0 132 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.872 103.5 56.7 -60.4 -38.5 14.6 45.4 7.0 82 88 A A H 3> S+ 0 0 62 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.849 107.5 48.0 -63.5 -33.2 16.4 42.3 8.1 83 89 A W H <> S+ 0 0 2 -3,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.926 110.2 50.6 -73.1 -44.9 13.4 40.8 9.7 84 90 A X H X S+ 0 0 11 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.923 108.9 53.0 -59.1 -41.8 11.2 41.4 6.6 85 91 A X H X S+ 0 0 90 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.847 108.3 49.9 -64.0 -33.6 13.8 39.8 4.4 86 92 A R H X S+ 0 0 37 -4,-1.3 4,-2.0 2,-0.2 -1,-0.2 0.878 110.3 49.1 -73.2 -38.2 13.8 36.7 6.6 87 93 A V H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.934 112.6 50.2 -59.9 -46.5 10.0 36.5 6.5 88 94 A K H X S+ 0 0 70 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.899 108.5 52.1 -56.9 -44.4 10.4 36.9 2.7 89 95 A A H X S+ 0 0 34 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.879 109.8 47.3 -62.3 -39.6 13.0 34.1 2.6 90 96 A I H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.895 111.2 51.9 -72.8 -36.8 10.8 31.6 4.4 91 97 A V H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.937 109.1 51.0 -56.1 -47.0 7.8 32.5 2.2 92 98 A E H X S+ 0 0 83 -4,-2.4 4,-3.0 1,-0.2 -2,-0.2 0.866 104.2 56.9 -64.7 -38.2 10.0 31.8 -0.8 93 99 A Y H X S+ 0 0 52 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.931 112.1 43.7 -49.8 -49.3 11.0 28.4 0.7 94 100 A A H X>S+ 0 0 0 -4,-1.9 5,-2.0 2,-0.2 4,-0.7 0.921 113.3 49.5 -67.1 -44.5 7.3 27.6 0.7 95 101 A X H ><5S+ 0 0 28 -4,-2.8 3,-2.0 1,-0.2 -2,-0.2 0.964 110.3 51.1 -57.8 -53.3 6.6 29.0 -2.8 96 102 A N H 3<5S+ 0 0 104 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.823 106.2 54.6 -53.8 -35.8 9.5 27.1 -4.2 97 103 A A H 3<5S- 0 0 16 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.635 118.1-113.9 -76.5 -13.4 8.3 23.9 -2.7 98 104 A G T <<5 + 0 0 39 -3,-2.0 -3,-0.2 -4,-0.7 -2,-0.1 0.452 69.6 140.0 97.2 1.5 4.9 24.5 -4.4 99 105 A L < - 0 0 0 -5,-2.0 2,-0.3 -6,-0.2 -1,-0.3 -0.328 57.1-118.4 -74.3 155.5 3.0 25.0 -1.2 100 106 A Y E -d 62 0A 13 -39,-2.6 -37,-2.4 -86,-0.2 2,-0.4 -0.717 38.8-162.7 -75.5 150.7 0.3 27.4 -0.3 101 107 A A E -de 63 149A 0 47,-2.9 49,-2.7 -2,-0.3 2,-0.5 -0.995 15.4-156.1-140.0 143.7 1.5 29.6 2.5 102 108 A I E -de 64 150A 1 -39,-1.8 -37,-3.5 -2,-0.4 2,-0.5 -0.984 6.5-166.5-116.9 127.3 -0.2 31.9 5.0 103 109 A V E +de 65 151A 0 47,-2.2 49,-2.7 -2,-0.5 2,-0.2 -0.937 20.5 169.2-110.7 133.4 1.7 34.8 6.7 104 110 A N E - e 0 152A 0 -39,-1.2 2,-0.5 -2,-0.5 49,-0.2 -0.588 43.9-104.2-126.7-171.4 0.0 36.5 9.7 105 111 A V + 0 0 0 47,-0.6 50,-1.7 -2,-0.2 -37,-0.2 -0.983 52.5 167.4-118.1 109.9 0.4 38.8 12.6 106 112 A H > + 0 0 3 -39,-2.9 3,-2.2 -2,-0.5 50,-0.5 0.898 55.6 17.8-103.5 -91.3 0.7 36.5 15.6 107 113 A H T 3 S+ 0 0 43 1,-0.3 -39,-0.1 -82,-0.2 5,-0.1 0.404 100.7 88.0 -80.7 11.4 1.7 37.2 19.2 108 114 A D T 3 S+ 0 0 0 -41,-0.3 9,-2.5 7,-0.2 8,-2.1 0.596 95.2 53.3 -66.5 -15.6 1.0 40.9 18.5 109 115 A T B < S+k 117 0C 0 -3,-2.2 3,-0.4 6,-0.2 2,-0.2 -0.803 95.6 20.2-111.8 161.6 -2.4 39.6 19.7 110 116 A A S S- 0 0 7 7,-0.5 48,-0.1 -2,-0.3 52,-0.1 -0.540 102.9 -26.9 94.1-142.7 -3.6 37.7 22.7 111 117 A A S S+ 0 0 48 -2,-0.2 -1,-0.2 51,-0.1 3,-0.1 0.432 92.5 104.7-100.3 -2.4 -2.2 37.1 26.2 112 118 A G S > S- 0 0 39 -3,-0.4 3,-1.6 1,-0.1 2,-0.1 -0.347 81.5 -93.1 -76.8 160.9 1.6 37.4 25.9 113 119 A S T 3 S+ 0 0 98 1,-0.2 -1,-0.1 -2,-0.1 3,-0.1 -0.432 113.4 32.4 -66.9 147.9 3.6 40.4 27.1 114 120 A G T 3 S+ 0 0 38 1,-0.3 -1,-0.2 -2,-0.1 2,-0.1 0.260 78.2 141.4 88.9 -19.2 4.0 42.8 24.2 115 121 A A < + 0 0 13 -3,-1.6 -1,-0.3 1,-0.1 -6,-0.2 -0.428 17.5 168.2 -57.5 136.4 0.6 42.0 22.5 116 122 A W + 0 0 37 -8,-2.1 2,-0.7 -3,-0.1 -7,-0.2 0.443 48.9 84.2-131.1 -11.2 -0.7 45.4 21.3 117 123 A I B +k 109 0C 0 -9,-2.5 -7,-0.5 2,-0.0 41,-0.4 -0.897 62.0 165.4-102.1 111.0 -3.6 44.5 19.0 118 124 A K - 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0 0 30 -50,-0.5 2,-0.3 49,-0.1 -1,-0.2 -0.731 68.9-166.2-128.9 77.8 -6.1 35.4 18.4 157 163 A X + 0 0 0 -2,-0.4 48,-2.5 46,-0.4 2,-0.3 -0.548 12.2 177.0 -74.1 128.6 -7.4 38.9 19.3 158 164 A L - 0 0 2 -41,-0.4 -39,-2.7 -2,-0.3 -48,-0.2 -0.790 30.5-100.8-120.8 166.4 -8.6 39.2 22.9 159 165 A D > - 0 0 12 4,-0.4 3,-1.9 -2,-0.3 -39,-0.2 -0.115 53.8 -82.1 -74.8-177.1 -10.0 42.0 25.0 160 166 A G T 3 S+ 0 0 34 -41,-0.3 -40,-0.1 1,-0.3 -1,-0.1 0.692 130.6 51.9 -64.9 -19.0 -7.8 43.9 27.6 161 167 A N T 3 S- 0 0 116 2,-0.0 -1,-0.3 0, 0.0 -50,-0.0 0.224 112.0-116.5-101.2 13.5 -8.4 41.2 30.2 162 168 A N < - 0 0 57 -3,-1.9 2,-0.4 1,-0.2 -2,-0.1 0.830 44.4-177.3 57.3 39.1 -7.4 38.3 27.9 163 169 A S - 0 0 14 1,-0.1 -4,-0.4 2,-0.1 -1,-0.2 -0.527 11.7-163.5 -74.5 121.4 -10.9 36.8 28.0 164 170 A W S S+ 0 0 129 -2,-0.4 -1,-0.1 1,-0.1 -2,-0.0 0.681 78.3 41.9 -82.9 -22.6 -10.7 33.5 26.0 165 171 A D S S- 0 0 107 1,-0.4 44,-0.3 42,-0.1 47,-0.2 0.888 128.1 -27.9 -90.4 -46.7 -14.4 32.7 25.3 166 172 A E S S- 0 0 72 45,-0.1 -1,-0.4 46,-0.0 -7,-0.1 -0.964 76.5 -81.6-162.9 158.0 -15.8 36.1 24.4 167 173 A P - 0 0 9 0, 0.0 6,-0.1 0, 0.0 -47,-0.0 -0.380 31.8-131.4 -69.4 149.0 -15.0 39.8 25.3 168 174 A Q S S+ 0 0 134 1,-0.1 2,-0.5 -2,-0.1 3,-0.0 0.859 98.1 46.3 -68.6 -34.1 -16.3 41.0 28.6 169 175 A K S > S- 0 0 145 1,-0.1 3,-2.0 -3,-0.0 4,-0.3 -0.940 80.7-138.5-107.8 133.2 -17.7 44.1 26.9 170 176 A A T > S+ 0 0 70 -2,-0.5 3,-1.5 1,-0.3 4,-0.5 0.748 99.8 74.5 -59.8 -24.0 -19.7 43.7 23.7 171 177 A S T >> S+ 0 0 36 1,-0.3 4,-1.3 2,-0.2 3,-1.0 0.747 76.7 77.5 -60.2 -24.4 -17.9 46.8 22.4 172 178 A G H <> S+ 0 0 2 -3,-2.0 4,-2.1 1,-0.3 -1,-0.3 0.841 86.3 60.5 -53.9 -32.5 -14.8 44.6 22.0 173 179 A Y H <> S+ 0 0 15 -3,-1.5 4,-2.9 -4,-0.3 -1,-0.3 0.846 97.9 57.3 -66.5 -31.8 -16.4 43.2 18.8 174 180 A E H <> S+ 0 0 110 -3,-1.0 4,-2.6 -4,-0.5 -1,-0.2 0.926 106.6 49.2 -63.1 -43.6 -16.4 46.6 17.2 175 181 A A H X S+ 0 0 0 -4,-1.3 4,-2.4 2,-0.2 5,-0.2 0.958 113.3 46.1 -60.3 -50.1 -12.7 46.9 17.7 176 182 A L H X S+ 0 0 2 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.942 113.3 48.6 -57.9 -49.3 -12.1 43.5 16.1 177 183 A N H X S+ 0 0 31 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.885 111.6 50.5 -63.2 -36.0 -14.5 44.1 13.2 178 184 A N H X S+ 0 0 74 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.906 109.0 50.1 -68.5 -39.8 -12.8 47.5 12.6 179 185 A Y H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.902 108.9 53.4 -62.2 -41.8 -9.3 46.0 12.6 180 186 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.920 110.6 46.7 -59.3 -43.2 -10.5 43.3 10.1 181 187 A Q H X S+ 0 0 48 -4,-1.9 4,-3.0 1,-0.2 -2,-0.2 0.920 111.8 50.7 -64.8 -43.0 -11.8 46.0 7.8 182 188 A D H X S+ 0 0 11 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.861 107.8 53.6 -62.8 -38.9 -8.5 48.0 8.1 183 189 A F H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.967 112.3 43.5 -58.1 -54.9 -6.5 44.9 7.3 184 190 A V H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 5,-0.3 0.945 115.7 49.1 -57.6 -46.9 -8.4 44.3 4.1 185 191 A D H X S+ 0 0 64 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.925 111.4 48.8 -60.1 -45.3 -8.3 48.0 3.2 186 192 A A H X S+ 0 0 3 -4,-2.8 4,-0.5 1,-0.2 -1,-0.2 0.914 114.6 44.3 -64.2 -45.1 -4.6 48.4 3.8 187 193 A V H >< S+ 0 0 0 -4,-2.4 3,-1.3 -5,-0.2 4,-0.3 0.933 113.8 49.1 -62.4 -49.0 -3.7 45.3 1.7 188 194 A R H >< S+ 0 0 32 -4,-2.7 3,-1.7 1,-0.3 -2,-0.2 0.842 101.2 65.4 -62.8 -32.2 -6.1 46.1 -1.2 189 195 A A H 3< S+ 0 0 88 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.726 91.1 64.0 -66.8 -20.0 -4.8 49.7 -1.4 190 196 A T T << S- 0 0 37 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.629 90.1-168.3 -79.4 -13.2 -1.3 48.4 -2.4 191 197 A G X + 0 0 21 -3,-1.7 3,-1.5 -4,-0.3 4,-0.2 -0.119 44.6 87.4 66.5-155.6 -2.8 47.0 -5.7 192 198 A G G > S- 0 0 67 1,-0.3 3,-1.5 2,-0.2 4,-0.3 -0.333 117.8 -15.3 60.5-140.2 -1.1 44.6 -8.0 193 199 A N G >> S+ 0 0 39 -50,-0.4 3,-1.6 1,-0.3 4,-1.1 0.805 135.3 68.8 -61.9 -29.2 -1.6 41.0 -7.0 194 200 A N G <4 S+ 0 0 0 -3,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.621 81.7 74.8 -69.0 -11.8 -2.8 42.3 -3.6 195 201 A A G <4 S+ 0 0 36 -3,-1.5 -1,-0.3 -4,-0.2 -2,-0.2 0.818 118.4 13.7 -64.0 -29.5 -5.9 43.7 -5.3 196 202 A T T <4 S+ 0 0 19 -3,-1.6 -191,-0.3 -4,-0.3 -2,-0.2 0.341 91.1 132.5-130.8 3.1 -7.2 40.2 -5.6 197 203 A R < - 0 0 0 -4,-1.1 2,-0.3 1,-0.1 -47,-0.1 -0.250 65.8-104.3 -56.9 145.0 -5.0 38.1 -3.2 198 204 A N - 0 0 1 -49,-0.3 -47,-1.2 -51,-0.2 2,-0.3 -0.578 42.7-165.2 -74.7 131.5 -7.0 35.8 -0.9 199 205 A L E -fg 151 227A 0 27,-2.2 29,-2.3 -2,-0.3 2,-0.5 -0.891 10.0-142.3-123.1 152.3 -7.1 37.2 2.6 200 206 A I E -fg 152 228A 0 -49,-2.7 -47,-2.0 -2,-0.3 2,-0.4 -0.960 11.1-170.2-123.1 126.1 -8.0 35.6 5.9 201 207 A V E - g 0 229A 0 27,-2.6 29,-2.3 -2,-0.5 2,-0.3 -0.928 14.4-145.1-112.6 138.0 -9.9 37.2 8.8 202 208 A N E - g 0 230A 0 -2,-0.4 29,-0.2 -48,-0.2 3,-0.1 -0.716 11.7-120.3-105.5 154.1 -10.2 35.6 12.2 203 209 A T > - 0 0 0 27,-1.6 3,-2.3 -2,-0.3 -46,-0.4 -0.267 57.2 -62.9 -76.6 171.3 -13.0 35.6 14.8 204 210 A Y G > S- 0 0 3 1,-0.3 3,-2.8 8,-0.3 -1,-0.2 -0.374 125.6 -9.0 -53.1 127.3 -12.6 36.9 18.4 205 211 A A G 3 S- 0 0 6 -48,-2.5 -1,-0.3 1,-0.3 -49,-0.1 0.556 114.1 -84.5 59.9 8.8 -10.0 34.6 20.0 206 212 A A G < S+ 0 0 2 -3,-2.3 26,-3.0 1,-0.2 -1,-0.3 0.780 95.9 143.4 52.9 29.7 -10.3 32.4 16.9 207 213 A A < - 0 0 18 -3,-2.8 -1,-0.2 24,-0.2 -4,-0.1 -0.353 46.9-154.9 -88.2 175.3 -13.2 31.0 18.9 208 214 A K + 0 0 37 -2,-0.1 -3,-0.1 -3,-0.1 -43,-0.0 0.054 39.3 137.0-147.0 29.2 -16.6 29.8 17.5 209 215 A G > - 0 0 42 -44,-0.3 4,-2.5 1,-0.1 5,-0.3 -0.245 69.4 -96.9 -71.1 169.3 -19.1 30.0 20.2 210 216 A E H > S+ 0 0 149 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.900 122.3 44.0 -58.3 -48.0 -22.6 31.4 19.4 211 217 A N H > S+ 0 0 75 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.911 112.4 52.3 -66.9 -41.4 -21.9 35.0 20.5 212 218 A V H 4 S+ 0 0 3 1,-0.2 -8,-0.3 2,-0.2 4,-0.2 0.924 114.5 42.4 -59.7 -48.1 -18.5 35.2 18.9 213 219 A L H >< S+ 0 0 10 -4,-2.5 3,-1.1 1,-0.2 -2,-0.2 0.904 112.5 53.8 -66.2 -40.1 -19.9 34.0 15.5 214 220 A N H 3< S+ 0 0 102 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.810 111.9 44.9 -64.3 -26.8 -23.0 36.2 15.8 215 221 A N T 3< S+ 0 0 70 -4,-1.6 2,-0.5 -5,-0.2 -1,-0.2 0.286 86.4 109.1-107.3 9.2 -20.9 39.3 16.4 216 222 A F < - 0 0 14 -3,-1.1 2,-0.6 -4,-0.2 -13,-0.1 -0.757 51.2-163.2 -83.1 126.9 -18.4 38.7 13.7 217 223 A X - 0 0 129 -2,-0.5 -37,-0.1 -44,-0.2 3,-0.1 -0.939 15.0-135.2-115.1 114.7 -18.7 41.1 10.7 218 224 A L - 0 0 51 -2,-0.6 3,-0.1 1,-0.1 -37,-0.0 -0.453 32.7-109.0 -64.1 133.3 -17.0 40.1 7.5 219 225 A P - 0 0 8 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.292 29.4-107.9 -57.8 149.7 -15.2 43.1 6.0 220 226 A T - 0 0 111 -3,-0.1 2,-0.4 2,-0.0 -35,-0.0 -0.656 39.2-165.6 -77.6 132.6 -16.5 44.8 2.9 221 227 A D - 0 0 25 -2,-0.4 4,-0.1 2,-0.1 6,-0.1 -0.978 25.2-141.2-126.3 137.7 -14.2 44.0 -0.1 222 228 A A S S+ 0 0 103 -2,-0.4 2,-0.3 -27,-0.1 -1,-0.1 0.656 91.8 52.3 -71.1 -19.4 -14.1 45.7 -3.5 223 229 A V S S- 0 0 42 -28,-0.1 3,-0.4 3,-0.0 2,-0.3 -0.813 88.5-118.2-114.5 158.3 -13.6 42.4 -5.2 224 230 A N S S+ 0 0 133 -2,-0.3 -2,-0.1 1,-0.2 0, 0.0 -0.669 80.3 12.8 -98.2 153.2 -15.7 39.2 -4.7 225 231 A N S S+ 0 0 114 -2,-0.3 -218,-2.9 42,-0.1 -217,-0.2 0.787 88.1 110.5 64.1 32.6 -14.8 35.7 -3.4 226 232 A H + 0 0 4 -3,-0.4 -27,-2.2 -220,-0.2 2,-0.4 0.108 52.1 87.2-126.1 22.5 -11.4 36.7 -1.9 227 233 A L E -g 199 0A 10 -29,-0.2 2,-0.4 -6,-0.1 -27,-0.2 -0.976 47.6-173.6-123.3 141.8 -12.0 36.4 1.8 228 234 A I E -g 200 0A 0 -29,-2.3 -27,-2.6 -2,-0.4 2,-0.4 -0.966 17.3-139.0-124.2 140.0 -11.7 33.4 4.1 229 235 A V E -gh 201 270A 0 40,-2.1 42,-2.2 -2,-0.4 2,-0.4 -0.839 19.4-154.8-100.0 143.2 -12.7 33.2 7.8 230 236 A Q E +gh 202 271A 0 -29,-2.3 -27,-1.6 -2,-0.4 2,-0.3 -0.959 17.6 168.6-121.3 135.6 -10.4 31.4 10.3 231 237 A V E - h 0 272A 0 40,-2.2 42,-2.4 -2,-0.4 43,-0.6 -0.874 23.8-132.6-129.0 166.8 -11.0 29.7 13.6 232 238 A H E - h 0 274A 7 -26,-3.0 2,-0.4 -2,-0.3 43,-0.2 -0.885 14.6-158.5-117.0 154.3 -8.9 27.4 15.8 233 239 A S E + h 0 275A 2 41,-2.7 43,-0.7 -2,-0.3 -26,-0.1 -0.909 33.5 149.8-141.7 114.3 -9.9 24.2 17.5 234 240 A Y - 0 0 33 -2,-0.4 4,-0.5 41,-0.2 5,-0.4 -0.155 50.4-172.2-119.7 36.3 -8.5 22.3 20.4 235 241 A D + 0 0 36 2,-0.1 2,-0.1 3,-0.1 41,-0.1 -0.540 59.5 39.3 -92.0 151.3 -11.9 20.9 21.4 236 242 A P S > S- 0 0 23 0, 0.0 3,-2.0 0, 0.0 4,-0.2 0.564 105.7-115.5 -67.3 137.5 -13.0 19.3 23.6 237 243 A W T 3 S+ 0 0 135 1,-0.3 -2,-0.1 -2,-0.1 42,-0.1 -0.184 91.3 1.2 -47.7 126.0 -10.8 21.6 25.7 238 244 A N T >> S+ 0 0 2 -4,-0.5 3,-1.3 40,-0.3 4,-0.9 0.641 81.6 142.4 74.7 16.8 -8.1 19.6 27.6 239 245 A F H <> + 0 0 2 -3,-2.0 4,-2.9 -5,-0.4 3,-0.5 0.819 62.9 68.3 -58.6 -32.0 -9.2 16.2 26.1 240 246 A F H 34 S+ 0 0 12 37,-0.4 -1,-0.3 1,-0.3 38,-0.1 0.834 109.1 36.3 -58.1 -30.8 -5.5 15.2 25.8 241 247 A N H <4 S+ 0 0 15 -3,-1.3 150,-0.3 148,-0.1 -1,-0.3 0.584 126.8 35.5 -96.7 -13.8 -5.4 15.1 29.6 242 248 A T H < S+ 0 0 78 -4,-0.9 2,-0.4 -3,-0.5 -2,-0.2 0.611 101.4 74.5-117.2 -14.7 -8.9 13.8 30.4 243 249 A K < - 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