==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 20-FEB-04 1SFR . COMPND 2 MOLECULE: ANTIGEN 85-A; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR D.R.RONNING,V.VISSA,G.S.BESRA,J.T.BELISLE,J.C.SACCHETTINI, . 854 3 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31770.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 619 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 90 10.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 63 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.6 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 . 7 0.8 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 0.1 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 . 64 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 83 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 252 29.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 2.1 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 9 4 1 3 0 5 3 3 0 0 0 0 0 0 1 0 0 0 3 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 3 6 3 3 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 . 8 0 2 3 0 0 3 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 1 2 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 A 0 0 56 0, 0.0 10,-2.9 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 142.6 75.7 63.8 -5.6 2 1 A F B -A 10 0A 116 8,-0.2 8,-0.3 1,-0.1 7,-0.1 -0.550 360.0-141.8 -79.6 142.9 75.4 66.4 -2.9 3 2 A S S S+ 0 0 53 6,-2.2 -1,-0.1 1,-0.2 7,-0.1 0.818 84.3 3.0 -71.6 -32.3 72.4 68.8 -3.0 4 3 A R S > S- 0 0 175 5,-0.5 3,-1.4 3,-0.4 -1,-0.2 -0.995 83.1 -97.2-153.6 150.6 74.6 71.7 -2.0 5 4 A P T 3 S+ 0 0 116 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.470 108.2 21.4 -69.9 139.4 78.2 72.5 -1.2 6 5 A G T 3 S+ 0 0 84 1,-0.2 0, 0.0 -2,-0.1 0, 0.0 0.400 104.5 94.8 87.8 -6.5 79.0 72.4 2.5 7 6 A L < - 0 0 106 -3,-1.4 -3,-0.4 2,-0.1 -1,-0.2 -0.957 69.2-138.8-120.8 141.6 76.0 70.2 3.5 8 7 A P + 0 0 34 0, 0.0 21,-0.5 0, 0.0 2,-0.2 0.501 64.8 114.8 -74.8 -8.6 76.1 66.4 3.9 9 8 A V - 0 0 20 19,-0.1 -6,-2.2 -5,-0.1 -5,-0.5 -0.474 44.9-172.9 -70.6 131.7 72.8 65.7 2.2 10 9 A E E -AB 2 27A 9 17,-3.7 17,-3.0 -8,-0.3 2,-0.5 -0.841 21.1-144.4-122.0 158.0 73.0 63.7 -1.0 11 10 A Y E - B 0 26A 108 -10,-2.9 2,-0.3 -2,-0.3 15,-0.2 -0.990 28.9-168.5-120.1 130.3 70.5 62.7 -3.7 12 11 A L E - B 0 25A 6 13,-2.2 13,-2.1 -2,-0.5 2,-0.6 -0.857 27.2-144.1-123.4 158.9 71.2 59.2 -5.2 13 12 A Q E - B 0 24A 105 -2,-0.3 11,-0.2 11,-0.2 -2,-0.0 -0.884 26.2-172.3-119.4 92.9 70.1 57.1 -8.1 14 13 A V E - B 0 23A 0 9,-2.7 9,-3.7 -2,-0.6 92,-0.1 -0.796 21.5-126.9 -93.3 119.7 70.1 53.5 -6.8 15 14 A P E - B 0 22A 56 0, 0.0 7,-0.3 0, 0.0 94,-0.1 -0.380 18.3-161.5 -65.7 139.5 69.5 50.9 -9.4 16 15 A S E >> - B 0 21A 2 5,-2.7 5,-1.6 1,-0.1 4,-0.8 -0.904 10.5-175.7-125.4 98.3 66.7 48.4 -8.8 17 16 A P T >45S+ 0 0 105 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 0.918 87.1 55.1 -58.3 -43.7 67.0 45.2 -10.9 18 17 A S T 345S+ 0 0 38 1,-0.3 80,-0.1 79,-0.1 78,-0.0 0.797 117.9 34.4 -60.9 -30.7 63.7 43.9 -9.5 19 18 A M T 345S- 0 0 7 -3,-0.4 76,-0.4 2,-0.2 -1,-0.3 0.382 104.9-128.6-105.7 2.3 61.9 47.1 -10.6 20 19 A G T <<5S+ 0 0 68 -4,-0.8 2,-0.3 -3,-0.8 -2,-0.1 0.829 75.4 70.3 54.9 38.1 63.9 47.6 -13.7 21 20 A R E S- 0 0 30 83,-0.1 3,-1.7 3,-0.1 -1,-0.5 -0.287 73.5 -29.0 105.8 169.6 80.2 58.0 8.9 32 31 A A T 3 S- 0 0 89 1,-0.3 84,-0.2 -3,-0.1 83,-0.1 -0.400 128.2 -5.4 -63.6 128.1 82.0 54.8 7.8 33 32 A N T 3 S+ 0 0 100 82,-2.7 -1,-0.3 1,-0.2 83,-0.2 0.731 94.5 156.4 59.5 27.0 80.2 51.6 8.8 34 33 A S B < -i 116 0B 9 -3,-1.7 83,-1.9 81,-0.6 -1,-0.2 -0.446 49.4 -95.1 -79.2 154.8 77.6 53.6 10.7 35 34 A P - 0 0 7 0, 0.0 33,-3.0 0, 0.0 2,-0.3 -0.312 42.1-119.2 -67.2 156.4 74.1 52.1 11.4 36 35 A A E -d 68 0A 0 81,-0.3 86,-2.8 83,-0.3 2,-0.5 -0.768 16.1-160.5-104.4 144.9 71.3 53.0 9.0 37 36 A L E -de 69 122A 0 31,-3.0 33,-3.0 -2,-0.3 2,-0.6 -0.965 12.6-159.0-119.3 108.4 68.0 54.7 9.7 38 37 A Y E -de 70 123A 3 84,-3.4 86,-3.1 -2,-0.5 2,-0.6 -0.813 3.1-161.6 -91.5 121.5 65.5 54.1 6.9 39 38 A L E - e 0 124A 0 31,-2.8 2,-0.4 -2,-0.6 86,-0.2 -0.907 8.2-154.6-104.5 115.1 62.7 56.7 6.8 40 39 A L E - e 0 125A 0 84,-3.2 86,-0.7 -2,-0.6 89,-0.1 -0.723 11.8-129.4 -93.9 140.1 59.6 55.5 4.9 41 40 A D - 0 0 6 -2,-0.4 88,-0.5 33,-0.2 85,-0.1 -0.252 24.2-102.0 -80.5 169.7 57.2 58.0 3.3 42 41 A G > - 0 0 5 86,-0.1 3,-1.3 87,-0.1 35,-0.2 -0.092 46.6 -77.1 -83.7-176.3 53.5 58.2 3.6 43 42 A L T 3 S+ 0 0 24 1,-0.3 34,-2.0 33,-0.1 2,-0.2 0.817 126.7 49.7 -51.3 -40.4 50.6 57.1 1.3 44 43 A R T 3 S+ 0 0 130 32,-0.2 -1,-0.3 33,-0.1 32,-0.1 -0.169 78.3 171.0 -97.6 42.1 51.0 60.1 -1.1 45 44 A A < - 0 0 4 -3,-1.3 31,-0.4 30,-0.2 30,-0.2 -0.263 22.0-143.6 -55.9 127.3 54.8 59.8 -1.6 46 45 A Q - 0 0 101 3,-0.5 28,-0.9 28,-0.1 5,-0.1 -0.444 12.8-127.0 -89.1 165.5 56.0 62.1 -4.4 47 46 A D S S+ 0 0 119 26,-0.1 3,-0.1 -2,-0.1 -23,-0.1 0.425 101.1 55.3 -93.2 0.0 58.8 61.4 -6.9 48 47 A D S S- 0 0 71 1,-0.4 2,-0.3 -24,-0.0 -1,-0.1 0.884 118.1 -4.1 -95.2 -53.8 60.8 64.5 -6.3 49 48 A F S S- 0 0 88 -24,-0.0 -3,-0.5 -23,-0.0 -1,-0.4 -0.940 73.1 -99.6-139.6 160.4 61.5 64.3 -2.5 50 49 A S >> - 0 0 0 -2,-0.3 4,-2.4 21,-0.1 3,-0.8 -0.538 31.9-122.3 -77.8 145.7 60.6 62.3 0.5 51 50 A G H 3> S+ 0 0 5 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.818 111.7 64.1 -56.1 -29.9 57.8 63.6 2.7 52 51 A W H 3> S+ 0 0 0 2,-0.2 4,-1.1 1,-0.2 6,-0.6 0.885 108.7 36.0 -62.6 -41.3 60.4 63.5 5.5 53 52 A D H <4 S+ 0 0 58 -3,-0.8 -2,-0.2 2,-0.2 -1,-0.2 0.864 117.4 53.3 -81.3 -33.5 62.7 66.1 3.9 54 53 A I H < S+ 0 0 75 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.896 124.5 24.4 -65.0 -41.6 59.7 68.1 2.5 55 54 A N H < S+ 0 0 77 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.428 119.2 45.3-108.0 -0.2 58.1 68.4 5.9 56 55 A T < - 0 0 11 -4,-1.1 3,-0.4 -5,-0.2 4,-0.2 -0.988 68.7-123.0-148.4 158.3 60.8 68.0 8.6 57 56 A P > + 0 0 53 0, 0.0 4,-3.5 0, 0.0 5,-0.3 0.069 65.2 134.9 -80.9 25.0 64.3 69.0 9.7 58 57 A A H > + 0 0 0 -6,-0.6 4,-2.6 1,-0.2 5,-0.2 0.899 69.2 42.4 -40.3 -65.0 65.1 65.3 9.7 59 58 A F H > S+ 0 0 6 -3,-0.4 4,-0.8 1,-0.2 -1,-0.2 0.920 117.4 47.9 -52.0 -48.1 68.5 65.5 7.9 60 59 A E H >4 S+ 0 0 154 1,-0.2 3,-0.7 2,-0.2 -1,-0.2 0.905 111.8 50.2 -61.4 -41.2 69.5 68.6 10.0 61 60 A W H 3< S+ 0 0 62 -4,-3.5 -1,-0.2 1,-0.2 -2,-0.2 0.873 116.1 41.7 -65.2 -37.2 68.4 66.8 13.2 62 61 A Y H >< S+ 0 0 2 -4,-2.6 3,-2.1 -5,-0.3 5,-0.5 0.421 80.2 124.0 -94.4 4.6 70.4 63.7 12.4 63 62 A D T << S+ 0 0 58 -4,-0.8 -33,-0.1 -3,-0.7 5,-0.1 -0.482 89.7 4.3 -65.5 127.3 73.5 65.4 11.1 64 63 A Q T 3 S+ 0 0 114 -35,-0.3 224,-3.0 -2,-0.2 -1,-0.3 0.622 93.8 121.8 72.4 14.6 76.4 64.1 13.2 65 64 A S S < S- 0 0 5 -3,-2.1 -2,-0.1 2,-0.3 3,-0.1 0.641 83.9-114.9 -80.6 -15.8 74.2 61.7 15.1 66 65 A G S S+ 0 0 1 -4,-0.3 220,-0.5 1,-0.3 2,-0.4 0.543 84.3 110.2 91.0 7.0 76.3 58.7 14.0 67 66 A L - 0 0 1 -5,-0.5 2,-0.7 -33,-0.1 -1,-0.3 -0.943 68.0-131.5-117.3 137.9 73.3 57.4 12.0 68 67 A S E - d 0 36A 0 -33,-3.0 -31,-3.0 -2,-0.4 2,-0.5 -0.790 23.0-143.3 -89.8 116.2 73.1 57.3 8.2 69 68 A V E -Cd 28 37A 0 -41,-1.9 -41,-1.6 -2,-0.7 2,-0.5 -0.687 17.0-171.2 -84.7 123.4 69.7 58.7 7.2 70 69 A V E +Cd 27 38A 0 -33,-3.0 -31,-2.8 -2,-0.5 -43,-0.2 -0.953 7.3 178.8-118.6 116.4 68.2 56.9 4.2 71 70 A M E -C 26 0A 0 -45,-2.9 -45,-2.4 -2,-0.5 -21,-0.1 -0.845 14.2-156.0-117.8 94.3 65.1 58.3 2.5 72 71 A P E -C 25 0A 0 0, 0.0 2,-0.4 0, 0.0 -47,-0.2 -0.352 16.3-137.5 -64.7 155.6 63.8 56.4 -0.5 73 72 A V + 0 0 6 -49,-2.1 -49,-0.4 -23,-0.1 2,-0.1 -0.961 54.5 7.8-120.0 132.2 61.8 58.5 -2.9 74 73 A G + 0 0 2 -28,-0.9 -33,-0.2 -2,-0.4 -28,-0.1 -0.451 50.5 126.6 100.8-175.5 58.6 57.5 -4.7 75 74 A G > - 0 0 2 -30,-0.2 3,-2.5 -2,-0.1 4,-0.4 0.878 41.6-158.2 88.1 43.0 56.2 54.5 -4.4 76 75 A Q T 3 S- 0 0 50 -31,-0.4 -32,-0.2 1,-0.3 -33,-0.1 -0.280 79.9 -2.0 -54.8 134.0 52.8 56.2 -3.9 77 76 A S T 3 S+ 0 0 0 -34,-2.0 -1,-0.3 -35,-0.2 -34,-0.1 0.625 98.7 125.8 57.7 15.8 50.4 53.7 -2.3 78 77 A S X - 0 0 0 -3,-2.5 3,-1.4 -35,-0.2 -2,-0.1 0.785 57.4-151.3 -73.8 -28.7 53.1 51.1 -2.5 79 78 A F T 3 - 0 0 15 -4,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.733 57.8 -88.1 59.7 22.1 53.1 50.1 1.2 80 79 A Y T 3 S+ 0 0 3 -5,-0.3 -1,-0.3 1,-0.2 2,-0.2 0.878 93.8 135.3 41.2 49.1 56.8 49.4 0.5 81 80 A S < - 0 0 5 -3,-1.4 17,-1.8 17,-0.1 2,-0.8 -0.704 67.3-105.8-120.1 169.0 55.8 45.9 -0.6 82 81 A D B -J 97 0C 53 15,-0.3 15,-0.2 -2,-0.2 2,-0.1 -0.880 45.6-144.2 -96.2 109.3 56.5 43.4 -3.4 83 82 A W - 0 0 4 13,-2.3 97,-0.2 -2,-0.8 98,-0.1 -0.399 14.0-142.8 -76.1 149.8 53.3 43.5 -5.5 84 83 A Y S S+ 0 0 119 96,-1.2 96,-0.2 95,-0.7 -1,-0.1 0.931 89.1 28.1 -73.1 -49.7 51.7 40.5 -7.3 85 84 A Q S S- 0 0 107 94,-2.9 11,-0.3 1,-0.1 -2,-0.1 -0.608 105.1 -76.6-108.2 167.9 50.7 42.6 -10.3 86 85 A P - 0 0 70 0, 0.0 2,-1.3 0, 0.0 9,-0.2 -0.320 50.0-108.0 -63.5 149.9 52.1 45.7 -11.8 87 86 A A E -K 94 0D 1 7,-2.9 7,-1.2 -4,-0.1 2,-0.6 -0.686 46.2-178.5 -83.2 96.0 51.4 48.9 -10.0 88 87 A a E +K 93 0D 47 -2,-1.3 5,-0.3 5,-0.2 88,-0.3 -0.871 10.7 152.9-104.5 117.8 48.9 50.6 -12.3 89 88 A G E > -K 92 0D 19 3,-2.5 3,-1.1 -2,-0.6 85,-0.2 -0.440 63.5 -71.2-122.0-163.2 47.5 54.0 -11.4 90 89 A K T 3 S+ 0 0 183 83,-2.5 84,-0.1 1,-0.3 3,-0.1 0.828 129.7 53.6 -62.7 -31.4 46.1 57.0 -13.3 91 90 A A T 3 S- 0 0 102 82,-0.4 -1,-0.3 1,-0.3 2,-0.1 -0.143 121.6 -89.5 -97.8 37.8 49.6 57.8 -14.5 92 91 A G E < -K 89 0D 43 -3,-1.1 -3,-2.5 2,-0.0 -1,-0.3 -0.307 56.3 -56.7 89.5-175.4 50.4 54.4 -16.0 93 92 A a E +K 88 0D 77 -5,-0.3 2,-0.3 -3,-0.1 -5,-0.2 -0.708 43.2 174.1-110.1 160.4 52.0 51.3 -14.6 94 93 A Q E -K 87 0D 68 -7,-1.2 -7,-2.9 -2,-0.2 2,-0.5 -0.955 37.5 -98.1-152.7 164.5 55.3 50.5 -12.8 95 94 A T - 0 0 55 -76,-0.4 2,-0.6 -2,-0.3 -74,-0.0 -0.813 31.6-162.4 -95.0 127.1 56.9 47.6 -11.1 96 95 A Y + 0 0 1 -2,-0.5 -13,-2.3 -11,-0.3 3,-0.1 -0.919 32.8 142.5-111.7 105.9 56.6 47.7 -7.3 97 96 A K B > +J 82 0C 57 -2,-0.6 4,-2.4 -15,-0.2 -15,-0.3 -0.442 16.8 147.7-137.7 57.4 59.1 45.4 -5.6 98 97 A W H > + 0 0 1 -17,-1.8 4,-2.8 2,-0.2 -16,-0.2 0.776 66.2 56.8 -68.6 -30.5 59.9 47.6 -2.6 99 98 A E H > S+ 0 0 15 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.922 111.5 45.7 -68.4 -38.3 60.5 44.8 -0.1 100 99 A T H >>S+ 0 0 41 2,-0.2 5,-1.2 1,-0.2 4,-1.1 0.955 113.8 48.1 -66.0 -49.7 63.2 43.4 -2.4 101 100 A F H <>S+ 0 0 0 -4,-2.4 5,-3.1 1,-0.2 3,-0.4 0.916 116.8 43.1 -56.6 -45.5 64.7 46.9 -3.0 102 101 A L H <5S+ 0 0 0 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.763 117.3 44.6 -74.3 -26.4 64.7 47.7 0.7 103 102 A T H <5S- 0 0 32 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.431 134.8 -4.7-102.6 4.4 66.0 44.3 1.9 104 103 A S T X5S+ 0 0 61 -4,-1.1 4,-2.3 -3,-0.4 5,-0.3 0.323 124.0 52.1-154.1 -57.9 68.8 43.6 -0.6 105 104 A E H > S+ 0 0 9 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.964 115.0 45.3 -52.0 -55.6 71.5 47.7 1.6 108 107 A G H X S+ 0 0 31 -4,-2.3 4,-2.5 1,-0.2 5,-0.3 0.935 113.7 49.0 -53.3 -51.2 74.0 46.1 -0.7 109 108 A W H X S+ 0 0 55 -4,-2.8 4,-2.2 -5,-0.3 5,-0.3 0.878 112.7 47.7 -59.5 -38.5 74.4 49.3 -2.8 110 109 A L H X S+ 0 0 1 -4,-2.9 4,-1.7 2,-0.2 6,-1.3 0.815 111.4 50.3 -73.2 -30.8 74.9 51.5 0.3 111 110 A Q H X S+ 0 0 95 -4,-2.4 4,-0.8 4,-0.3 -2,-0.2 0.933 116.4 41.1 -71.0 -44.7 77.4 49.2 1.8 112 111 A A H < S+ 0 0 74 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.836 129.1 26.8 -72.7 -34.9 79.5 49.0 -1.4 113 112 A N H < S+ 0 0 77 -4,-2.2 -3,-0.2 -5,-0.3 -2,-0.2 0.644 136.1 21.5-106.3 -16.6 79.2 52.7 -2.3 114 113 A R H < S- 0 0 73 -4,-1.7 -3,-0.2 -5,-0.3 -81,-0.1 0.317 95.8-118.8-133.0 7.2 78.7 54.6 0.9 115 114 A H < + 0 0 120 -4,-0.8 -82,-2.7 -5,-0.2 -81,-0.6 0.925 52.9 162.1 53.0 52.4 80.0 52.2 3.6 116 115 A V B -i 34 0B 3 -6,-1.3 -1,-0.2 -9,-0.2 -2,-0.1 -0.883 47.1-111.5-102.5 131.0 76.7 51.9 5.4 117 116 A K - 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0 0 26 -6,-2.1 2,-0.5 -3,-0.2 -1,-0.1 -0.345 38.5-120.0 -85.3 170.6 45.9 52.2 -7.7 176 175 A K >> - 0 0 114 -88,-0.3 3,-1.4 1,-0.1 4,-0.7 -0.957 5.3-148.8-119.1 122.4 44.1 48.9 -6.9 177 176 A A H >>>S+ 0 0 12 -2,-0.5 4,-2.0 1,-0.3 3,-1.0 0.833 96.9 60.3 -54.5 -38.1 44.7 47.0 -3.7 178 177 A S H 3>5S+ 0 0 43 1,-0.3 4,-1.1 2,-0.2 -1,-0.3 0.782 96.8 60.8 -65.7 -23.8 44.1 43.6 -5.2 179 178 A D H <45S+ 0 0 23 -3,-1.4 -94,-2.9 2,-0.2 -95,-0.7 0.785 111.1 42.0 -71.6 -24.6 47.1 44.2 -7.6 180 179 A M H <<5S- 0 0 1 -3,-1.0 -96,-1.2 -4,-0.7 -2,-0.2 0.959 142.2 -3.0 -84.7 -63.9 49.2 44.5 -4.5 181 180 A W H <5S- 0 0 8 -4,-2.0 8,-0.4 1,-0.3 7,-0.3 0.256 97.8-129.9-116.2 12.0 48.1 41.7 -2.1 182 181 A G << - 0 0 7 -4,-1.1 -1,-0.3 -5,-0.6 -2,-0.1 -0.235 58.5 -8.7 73.5-164.6 45.2 40.3 -4.2 183 182 A P S > S- 0 0 77 0, 0.0 3,-3.0 0, 0.0 6,-0.3 -0.274 81.1 -97.0 -65.4 154.6 41.6 39.6 -2.9 184 183 A K T 3 S+ 0 0 144 1,-0.3 5,-0.1 4,-0.1 -2,-0.0 0.730 122.7 53.6 -43.9 -34.5 41.0 39.9 0.8 185 184 A E T 3 S+ 0 0 104 4,-0.1 -1,-0.3 3,-0.1 527,-0.1 0.510 80.6 116.7 -85.1 -1.2 41.3 36.2 1.4 186 185 A D S X S- 0 0 37 -3,-3.0 3,-1.8 1,-0.1 4,-0.5 -0.424 76.4-121.2 -67.2 137.5 44.7 36.0 -0.2 187 186 A P T 3> S+ 0 0 78 0, 0.0 4,-1.3 0, 0.0 5,-0.2 0.738 104.6 77.3 -49.9 -27.9 47.5 34.9 2.3 188 187 A A H 3> S+ 0 0 12 -7,-0.3 4,-2.0 1,-0.2 3,-0.1 0.860 87.2 60.2 -54.0 -38.3 49.4 38.2 1.5 189 188 A W H <4 S+ 0 0 5 -3,-1.8 -1,-0.2 -8,-0.4 -32,-0.2 0.938 108.7 38.2 -58.8 -53.5 47.0 40.1 3.8 190 189 A Q H 4 S+ 0 0 36 -4,-0.5 3,-0.5 1,-0.2 -1,-0.2 0.656 113.5 59.4 -75.1 -10.9 47.6 38.3 7.0 191 190 A R H < S+ 0 0 72 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.847 109.4 42.2 -80.8 -35.4 51.3 38.1 6.2 192 191 A N S < S+ 0 0 8 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.104 90.1 106.2 -97.7 22.5 51.5 41.9 6.0 193 192 A D > - 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0 0 116 -88,-0.4 3,-2.1 -2,-0.2 4,-0.9 -0.886 7.7-150.3-105.2 112.9 31.6 68.7 23.6 466 176 B A H >> S+ 0 0 11 -2,-0.7 4,-2.2 1,-0.3 3,-0.8 0.817 97.4 63.5 -47.0 -34.3 30.7 65.1 23.9 467 177 B S H 3> S+ 0 0 61 1,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.837 93.6 59.4 -63.3 -32.7 31.4 65.3 27.6 468 178 B D H <4 S+ 0 0 37 -3,-2.1 -94,-2.9 2,-0.2 -95,-0.8 0.817 111.8 43.9 -64.5 -27.0 28.6 67.8 28.1 469 179 B M H << S- 0 0 0 -4,-0.9 -96,-1.2 -3,-0.8 -2,-0.2 0.971 140.9 -3.1 -81.6 -63.5 26.3 65.1 26.7 470 180 B W H < S- 0 0 7 -4,-2.2 7,-0.3 1,-0.3 8,-0.3 0.213 96.0-130.4-117.4 15.0 27.4 61.9 28.5 471 181 B G < - 0 0 9 -4,-2.0 -1,-0.3 -5,-0.4 -2,-0.1 -0.224 60.4 -7.7 69.2-162.3 30.4 63.1 30.5 472 182 B P S > S- 0 0 71 0, 0.0 3,-1.8 0, 0.0 6,-0.3 -0.162 76.3-103.9 -62.0 161.2 33.9 61.4 30.5 473 183 B K T 3 S+ 0 0 82 1,-0.3 6,-0.1 4,-0.1 5,-0.1 0.674 122.2 62.5 -62.1 -15.4 34.3 58.1 28.7 474 184 B E T 3 S+ 0 0 154 4,-0.1 -1,-0.3 3,-0.0 -3,-0.1 0.661 79.8 105.0 -83.5 -18.6 34.3 56.6 32.2 475 185 B D S X> S- 0 0 35 -3,-1.8 3,-1.4 1,-0.1 4,-0.6 -0.367 78.6-127.5 -65.3 138.7 30.7 57.7 32.9 476 186 B P H 3> S+ 0 0 95 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.633 98.5 83.6 -63.0 -12.4 28.1 55.0 32.8 477 187 B A H 3> S+ 0 0 11 -7,-0.3 4,-1.6 1,-0.2 -6,-0.1 0.855 88.4 53.1 -59.5 -35.8 26.1 57.1 30.3 478 188 B W H <4 S+ 0 0 5 -3,-1.4 3,-0.3 -8,-0.3 -32,-0.2 0.949 110.2 43.4 -65.6 -52.0 28.2 55.8 27.5 479 189 B Q H >< S+ 0 0 90 -4,-0.6 3,-1.5 1,-0.2 -2,-0.2 0.901 112.5 56.9 -61.4 -37.7 27.7 52.1 28.2 480 190 B R H 3< S+ 0 0 78 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.850 108.3 45.2 -61.2 -36.9 24.0 52.9 28.8 481 191 B N T 3< S+ 0 0 8 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.183 87.6 106.2 -96.0 19.4 23.7 54.4 25.3 482 192 B D <> - 0 0 0 -3,-1.5 4,-0.9 1,-0.2 3,-0.2 -0.854 52.6-164.2-102.0 106.3 25.5 51.6 23.6 483 193 B P T >4 S+ 0 0 0 0, 0.0 3,-0.8 0, 0.0 4,-0.2 0.886 88.9 54.8 -55.4 -42.1 23.1 49.3 21.6 484 194 B L G >4 S+ 0 0 24 -41,-2.0 3,-1.0 1,-0.3 4,-0.2 0.911 107.9 48.7 -60.1 -43.2 25.7 46.5 21.3 485 195 B L G 34 S+ 0 0 68 1,-0.2 -1,-0.3 -3,-0.2 3,-0.1 0.650 120.7 38.1 -71.4 -13.7 26.2 46.4 25.1 486 196 B N G XX S+ 0 0 21 -4,-0.9 3,-1.3 -3,-0.8 4,-1.0 0.171 73.3 119.6-123.0 19.0 22.5 46.3 25.6 487 197 B V H <> + 0 0 15 -3,-1.0 4,-1.8 1,-0.3 5,-0.1 0.780 66.9 73.2 -54.7 -25.7 21.4 44.1 22.7 488 198 B G H 3> S+ 0 0 42 1,-0.2 4,-2.9 2,-0.2 -1,-0.3 0.909 92.0 52.1 -56.2 -45.8 20.0 41.8 25.4 489 199 B K H <> S+ 0 0 88 -3,-1.3 4,-3.0 1,-0.2 5,-0.3 0.934 106.9 52.5 -58.2 -47.4 17.1 44.1 26.2 490 200 B L H <>S+ 0 0 0 -4,-1.0 5,-1.8 1,-0.2 -1,-0.2 0.875 112.3 47.6 -56.0 -37.2 16.1 44.3 22.5 491 201 B I H ><5S+ 0 0 25 -4,-1.8 3,-0.9 3,-0.2 -2,-0.2 0.933 112.2 47.9 -69.7 -46.2 16.1 40.5 22.6 492 202 B A H 3<5S+ 0 0 84 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.921 113.7 45.5 -61.2 -46.8 14.1 40.2 25.8 493 203 B N T 3<5S- 0 0 73 -4,-3.0 -1,-0.3 -5,-0.2 -2,-0.2 0.478 106.0-130.1 -76.4 -1.4 11.4 42.7 24.7 494 204 B N T < 5 - 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