==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 02-OCT-07 2RG7 . COMPND 2 MOLECULE: PERIPLASMIC HEME BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SHIGELLA DYSENTERIAE; . AUTHOR W.W.HO,H.LI . 1020 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44248.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 713 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 131 12.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 3.1 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 . 2 0.2 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 . 58 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 140 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 308 30.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 1.8 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 9 4 0 4 3 9 0 0 4 0 4 0 0 0 0 0 0 0 0 1 3 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 2 9 9 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 PARALLEL BRIDGES PER LADDER . 7 6 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 3 3 2 1 0 0 0 1 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 23 A A 0 0 51 0, 0.0 3,-0.2 0, 0.0 22,-0.1 0.000 360.0 360.0 360.0 -23.3 10.2 25.1 -40.2 2 24 A E + 0 0 147 1,-0.3 2,-0.5 22,-0.0 0, 0.0 0.816 360.0 30.1 -93.5 -42.6 6.5 25.9 -40.3 3 25 A R S S- 0 0 93 2,-0.0 57,-3.0 22,-0.0 58,-1.5 -0.967 84.3-169.6-120.6 110.5 5.3 22.3 -40.2 4 26 A I E -ab 24 61A 0 19,-3.9 21,-3.1 -2,-0.5 22,-1.2 -0.867 18.0-165.0-110.7 135.7 7.8 20.1 -38.3 5 27 A V E -ab 26 62A 0 56,-2.1 58,-2.1 -2,-0.4 2,-0.5 -0.971 17.7-159.1-114.2 116.6 8.0 16.3 -38.1 6 28 A V E -ab 27 63A 0 20,-2.4 22,-0.7 -2,-0.6 2,-0.6 -0.850 11.3-169.1-103.1 128.1 10.3 15.2 -35.2 7 29 A A E + b 0 64A 0 56,-3.1 58,-0.6 -2,-0.5 20,-0.1 -0.864 63.2 57.5-115.7 96.7 11.9 11.8 -35.0 8 30 A G S >> S- 0 0 0 -2,-0.6 4,-1.8 56,-0.1 3,-0.6 -0.014 72.1-132.5 144.8 105.9 13.5 11.3 -31.6 9 31 A G H 3> S+ 0 0 12 1,-0.3 4,-1.9 2,-0.2 5,-0.2 0.843 105.4 46.3 -43.5 -53.5 11.7 11.6 -28.2 10 32 A S H 3> S+ 0 0 13 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.857 109.9 56.0 -63.9 -32.6 14.1 13.8 -26.4 11 33 A L H <> S+ 0 0 0 -3,-0.6 4,-2.4 1,-0.2 -1,-0.2 0.905 105.5 51.9 -66.1 -37.0 14.3 16.1 -29.4 12 34 A T H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.916 109.8 49.1 -64.2 -43.0 10.5 16.5 -29.3 13 35 A E H X S+ 0 0 15 -4,-1.9 4,-3.0 2,-0.2 5,-0.2 0.911 110.5 50.0 -62.8 -44.0 10.7 17.5 -25.6 14 36 A L H X S+ 0 0 4 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.929 110.4 50.8 -61.2 -43.1 13.4 20.0 -26.2 15 37 A I H <>S+ 0 0 0 -4,-2.4 5,-2.2 2,-0.2 6,-0.3 0.930 113.5 44.3 -61.3 -44.9 11.4 21.5 -29.0 16 38 A Y H ><5S+ 0 0 38 -4,-2.4 3,-2.0 4,-0.2 5,-0.4 0.931 111.3 52.7 -66.4 -44.6 8.3 21.8 -26.9 17 39 A A H 3<5S+ 0 0 58 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.819 104.9 57.9 -60.8 -29.0 10.2 23.2 -23.9 18 40 A M T 3<5S- 0 0 2 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.305 122.3-106.3 -85.0 11.8 11.7 25.8 -26.2 19 41 A G T < 5S+ 0 0 63 -3,-2.0 3,-0.2 -5,-0.1 -3,-0.2 0.640 94.5 105.2 77.1 16.7 8.2 27.1 -27.0 20 42 A A > < + 0 0 1 -5,-2.2 3,-1.6 -6,-0.2 4,-0.3 0.243 34.7 114.9-111.8 14.3 8.0 25.7 -30.6 21 43 A G G > + 0 0 7 -5,-0.4 3,-1.3 -6,-0.3 -1,-0.1 0.748 66.4 70.1 -54.4 -26.2 5.6 22.7 -29.9 22 44 A E G 3 S+ 0 0 177 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.838 91.2 57.9 -62.5 -34.7 3.0 24.4 -32.1 23 45 A R G < S+ 0 0 60 -3,-1.6 -19,-3.9 -20,-0.1 2,-0.4 0.543 82.3 107.2 -75.3 -5.9 4.9 23.8 -35.3 24 46 A V E < +a 4 0A 9 -3,-1.3 -19,-0.2 -4,-0.3 3,-0.1 -0.615 32.4 162.9 -78.7 126.0 5.0 20.0 -34.7 25 47 A V E + 0 0 24 -21,-3.1 2,-0.3 -2,-0.4 -20,-0.2 0.500 67.3 16.8-116.0 -13.6 2.7 18.0 -37.0 26 48 A G E -a 5 0A 0 -22,-1.2 -20,-2.4 14,-0.1 -1,-0.4 -0.971 59.1-171.1-161.0 144.0 4.1 14.5 -36.5 27 49 A V E -ac 6 42A 0 14,-2.3 16,-2.3 -2,-0.3 -20,-0.2 -0.778 25.1-107.3-128.8 175.2 6.4 12.7 -34.1 28 50 A D > - 0 0 0 -22,-0.7 3,-1.7 14,-0.3 17,-0.2 -0.405 37.9 -94.4 -99.2 177.8 8.0 9.2 -33.9 29 51 A E T 3 S+ 0 0 64 15,-1.1 16,-0.1 1,-0.3 15,-0.1 0.779 121.5 59.2 -62.4 -28.9 7.3 6.1 -31.9 30 52 A T T 3 S+ 0 0 52 14,-0.3 2,-0.5 2,-0.0 -1,-0.3 0.464 84.7 98.5 -81.8 1.4 9.8 7.1 -29.2 31 53 A T < + 0 0 2 -3,-1.7 -4,-0.1 1,-0.2 -21,-0.1 -0.787 30.6 139.2 -90.3 125.7 7.9 10.3 -28.6 32 54 A S + 0 0 63 -2,-0.5 -1,-0.2 1,-0.3 6,-0.1 0.316 43.9 105.3-143.2 -1.3 5.6 10.0 -25.6 33 55 A Y + 0 0 90 -24,-0.1 -1,-0.3 4,-0.1 -20,-0.1 -0.993 58.2 33.7-145.7 145.4 6.0 13.3 -23.9 34 56 A P S > S- 0 0 10 0, 0.0 3,-2.0 0, 0.0 4,-0.3 0.601 80.1-125.1 -76.5 173.5 4.7 15.9 -23.4 35 57 A P G > S+ 0 0 86 0, 0.0 3,-1.6 0, 0.0 4,-0.3 0.753 104.1 69.3 -53.3 -29.4 1.0 14.7 -23.3 36 58 A E G 3 S+ 0 0 98 1,-0.3 3,-0.3 2,-0.2 4,-0.1 0.598 89.2 65.2 -68.9 -9.7 -0.1 17.1 -26.1 37 59 A T G X S+ 0 0 1 -3,-2.0 3,-1.5 1,-0.2 -1,-0.3 0.625 79.8 82.5 -85.2 -14.6 1.9 15.1 -28.6 38 60 A A T < S+ 0 0 45 -3,-1.6 518,-0.6 -4,-0.3 -1,-0.2 0.837 86.9 54.3 -58.5 -35.4 -0.4 12.1 -28.0 39 61 A K T 3 S+ 0 0 83 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.588 94.3 95.8 -76.1 -10.2 -3.0 13.5 -30.5 40 62 A L S < S- 0 0 20 -3,-1.5 516,-0.4 1,-0.1 2,-0.2 -0.418 87.1 -96.3 -83.7 156.8 -0.4 13.8 -33.2 41 63 A P - 0 0 25 0, 0.0 -14,-2.3 0, 0.0 2,-0.4 -0.492 39.5-149.9 -69.7 136.7 0.4 11.2 -35.9 42 64 A H B -c 27 0A 9 512,-2.5 512,-0.4 -16,-0.2 -14,-0.3 -0.924 9.4-164.8-114.1 134.9 3.3 8.9 -35.1 43 65 A I - 0 0 17 -16,-2.3 -14,-0.2 -2,-0.4 3,-0.1 -0.182 36.0 -74.0 -97.0-163.8 5.6 7.4 -37.6 44 66 A G S S- 0 0 26 1,-0.2 -15,-1.1 -16,-0.2 -14,-0.3 0.043 70.3 -48.3 -83.8-166.2 8.0 4.4 -36.9 45 67 A Y > - 0 0 96 3,-0.2 3,-3.3 -17,-0.2 -1,-0.2 -0.422 56.3-119.0 -63.0 135.9 11.3 4.1 -35.0 46 68 A W T 3 S+ 0 0 17 1,-0.3 23,-5.6 2,-0.1 3,-0.3 0.594 116.8 55.5 -56.8 -6.7 13.6 6.9 -36.1 47 69 A K T 3 S+ 0 0 95 21,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.543 110.3 44.3-100.6 -10.3 15.9 4.2 -37.3 48 70 A Q S < S+ 0 0 129 -3,-3.3 -3,-0.2 21,-0.2 -1,-0.2 -0.510 81.2 165.6-130.7 61.9 13.3 2.6 -39.5 49 71 A L - 0 0 8 -3,-0.3 2,-0.4 -5,-0.1 24,-0.1 -0.424 23.9-149.9 -80.4 155.0 11.7 5.6 -41.2 50 72 A S > - 0 0 43 1,-0.1 4,-1.5 -2,-0.1 5,-0.2 -0.995 14.1-142.6-127.1 129.5 9.4 5.5 -44.3 51 73 A S H > S+ 0 0 31 -2,-0.4 4,-3.1 1,-0.2 5,-0.3 0.914 103.7 56.8 -55.1 -41.6 9.2 8.3 -46.8 52 74 A E H > S+ 0 0 88 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.939 103.7 49.4 -54.4 -56.2 5.5 7.5 -47.1 53 75 A G H 4 S+ 0 0 9 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.787 119.5 37.8 -57.7 -31.2 4.7 8.0 -43.4 54 76 A I H >< S+ 0 0 0 -4,-1.5 3,-2.1 -3,-0.3 -2,-0.2 0.922 113.5 51.4 -87.0 -50.9 6.5 11.3 -43.2 55 77 A L H >< S+ 0 0 50 -4,-3.1 3,-2.5 1,-0.3 -2,-0.2 0.850 98.0 67.2 -56.2 -36.4 5.6 12.9 -46.6 56 78 A S T 3< S+ 0 0 53 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.1 0.689 95.4 60.6 -59.7 -14.5 1.9 12.3 -46.1 57 79 A L T < S- 0 0 21 -3,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.290 106.3-126.6 -96.6 10.3 2.2 14.8 -43.3 58 80 A R < - 0 0 202 -3,-2.5 2,-0.2 1,-0.1 -3,-0.1 0.923 40.0-174.1 46.0 56.3 3.3 17.7 -45.6 59 81 A P - 0 0 12 0, 0.0 -55,-0.2 0, 0.0 -1,-0.1 -0.551 28.7-164.1 -83.5 149.2 6.4 18.5 -43.5 60 82 A D S S+ 0 0 68 -57,-3.0 23,-3.3 1,-0.4 2,-0.3 0.788 82.4 14.1 -92.2 -39.1 8.7 21.5 -44.3 61 83 A S E -bd 4 83A 1 -58,-1.5 -56,-2.1 21,-0.2 2,-0.5 -0.993 62.4-150.3-140.9 144.7 11.4 20.1 -42.1 62 84 A V E -bd 5 84A 0 21,-2.1 23,-3.2 -2,-0.3 2,-0.6 -0.971 15.4-161.9-113.9 120.8 12.3 16.8 -40.5 63 85 A I E +bd 6 85A 0 -58,-2.1 -56,-3.1 -2,-0.5 2,-0.3 -0.923 33.6 120.8-107.7 121.2 14.3 17.0 -37.3 64 86 A T E -bd 7 86A 0 21,-2.7 23,-1.7 -2,-0.6 2,-0.2 -0.906 59.0 -56.3-159.4-174.0 16.1 13.9 -36.2 65 87 A W E > - d 0 87A 21 -58,-0.6 3,-3.0 -2,-0.3 21,-0.0 -0.502 44.2-117.3 -80.5 145.9 19.4 12.2 -35.3 66 88 A Q T 3 S+ 0 0 114 21,-2.2 -1,-0.1 1,-0.3 20,-0.1 0.674 119.0 44.8 -53.8 -18.8 22.4 12.0 -37.7 67 89 A D T 3 S+ 0 0 51 20,-0.3 -1,-0.3 3,-0.0 4,-0.1 0.134 90.2 130.1-113.0 20.1 22.0 8.2 -37.7 68 90 A A < - 0 0 3 -3,-3.0 -21,-0.3 -61,-0.1 6,-0.1 -0.305 58.6 -15.2 -75.3 158.0 18.2 8.2 -38.1 69 91 A G S S- 0 0 9 -23,-5.6 -21,-0.2 -24,-0.1 -22,-0.1 0.662 97.4 -47.1 29.9 164.9 16.2 6.2 -40.6 70 92 A P > - 0 0 54 0, 0.0 4,-1.6 0, 0.0 3,-0.5 -0.256 51.3-127.9 -56.0 144.8 17.3 4.4 -43.8 71 93 A Q H > S+ 0 0 160 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.807 108.2 62.8 -66.4 -26.7 19.6 6.6 -45.9 72 94 A I H > S+ 0 0 107 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.871 103.5 49.4 -65.0 -35.4 17.4 5.9 -48.9 73 95 A V H > S+ 0 0 9 -3,-0.5 4,-3.0 2,-0.2 5,-0.2 0.940 107.9 50.6 -68.8 -49.9 14.4 7.6 -47.1 74 96 A L H X S+ 0 0 15 -4,-1.6 4,-2.3 1,-0.3 -1,-0.2 0.897 111.2 51.1 -55.6 -39.8 16.3 10.7 -46.1 75 97 A D H X S+ 0 0 95 -4,-2.0 4,-2.0 2,-0.2 -1,-0.3 0.857 109.9 49.2 -65.8 -34.9 17.4 11.0 -49.7 76 98 A Q H X S+ 0 0 76 -4,-1.4 4,-1.2 2,-0.2 -2,-0.2 0.895 110.9 50.1 -71.3 -37.7 13.8 10.6 -50.7 77 99 A L H <>S+ 0 0 0 -4,-3.0 5,-2.0 1,-0.2 -2,-0.2 0.866 111.0 49.5 -66.3 -35.6 12.8 13.3 -48.2 78 100 A R H ><5S+ 0 0 110 -4,-2.3 3,-2.1 -5,-0.2 -1,-0.2 0.877 103.9 58.9 -71.5 -36.0 15.5 15.5 -49.6 79 101 A A H 3<5S+ 0 0 75 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.812 101.8 55.3 -61.8 -29.7 14.3 14.9 -53.1 80 102 A Q T 3<5S- 0 0 129 -4,-1.2 -1,-0.3 -3,-0.1 -2,-0.2 0.267 121.6-112.6 -85.5 12.1 10.9 16.4 -52.0 81 103 A K T < 5 + 0 0 189 -3,-2.1 2,-0.5 1,-0.2 -3,-0.2 0.878 62.5 159.1 58.1 39.5 12.8 19.4 -50.9 82 104 A V < - 0 0 11 -5,-2.0 2,-1.0 -6,-0.1 -1,-0.2 -0.831 46.7-119.5 -93.9 130.3 12.1 18.7 -47.3 83 105 A N E -d 61 0A 88 -23,-3.3 -21,-2.1 -2,-0.5 2,-0.6 -0.575 30.4-163.6 -74.0 100.2 14.5 20.4 -44.9 84 106 A V E -d 62 0A 11 -2,-1.0 2,-0.5 -23,-0.2 -21,-0.2 -0.777 5.0-170.5 -91.1 117.1 16.2 17.5 -43.0 85 107 A V E -d 63 0A 15 -23,-3.2 -21,-2.7 -2,-0.6 2,-0.4 -0.923 4.5-168.6-108.8 123.9 18.0 18.7 -39.8 86 108 A T E -d 64 0A 39 -2,-0.5 -21,-0.3 -23,-0.2 -23,-0.0 -0.914 5.7-164.5-118.2 141.9 20.2 16.2 -38.0 87 109 A L E -d 65 0A 0 -23,-1.7 -21,-2.2 -2,-0.4 2,-0.3 -0.909 32.1-103.1-120.8 148.9 21.8 16.4 -34.5 88 110 A P + 0 0 23 0, 0.0 12,-0.1 0, 0.0 -23,-0.0 -0.548 37.5 173.1 -70.7 128.7 24.6 14.3 -33.1 89 111 A R + 0 0 98 -2,-0.3 7,-0.0 3,-0.1 8,-0.0 0.773 59.2 77.9-102.8 -37.4 23.2 11.7 -30.7 90 112 A V S S+ 0 0 99 1,-0.1 2,-1.8 2,-0.1 -1,-0.0 0.818 74.6 70.4 -45.5 -55.9 26.3 9.7 -29.9 91 113 A P S S- 0 0 48 0, 0.0 2,-2.6 0, 0.0 5,-0.1 -0.523 71.0-163.5 -71.7 97.5 28.2 11.8 -27.5 92 114 A A + 0 0 15 -2,-1.8 2,-0.3 66,-0.4 66,-0.1 -0.459 46.4 121.2 -76.8 71.0 25.8 11.2 -24.6 93 115 A T S > S- 0 0 65 -2,-2.6 4,-2.3 1,-0.1 5,-0.1 -0.912 77.0-116.1-132.8 161.3 27.2 14.2 -22.7 94 116 A L H > S+ 0 0 37 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.826 115.6 58.0 -64.1 -32.0 26.0 17.5 -21.3 95 117 A E H > S+ 0 0 164 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.967 109.3 42.8 -63.2 -51.1 28.3 19.3 -23.7 96 118 A Q H > S+ 0 0 41 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.878 113.2 54.2 -62.0 -38.3 26.6 17.6 -26.7 97 119 A M H X S+ 0 0 5 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.958 111.2 43.4 -60.4 -52.4 23.2 18.2 -25.2 98 120 A Y H X S+ 0 0 25 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.888 113.0 52.9 -60.7 -40.2 23.7 21.9 -24.7 99 121 A A H X S+ 0 0 47 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.866 111.4 47.6 -63.8 -33.7 25.2 22.1 -28.2 100 122 A N H X S+ 0 0 11 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.888 107.6 54.3 -74.0 -38.7 22.1 20.4 -29.5 101 123 A I H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.876 112.9 44.7 -61.6 -36.9 19.7 22.7 -27.6 102 124 A R H X S+ 0 0 116 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.903 111.4 50.6 -74.9 -41.7 21.5 25.6 -29.2 103 125 A Q H X S+ 0 0 67 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.907 114.3 47.2 -60.7 -40.8 21.5 24.1 -32.7 104 126 A L H X S+ 0 0 1 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.932 110.1 49.7 -65.9 -49.7 17.8 23.4 -32.3 105 127 A A H <>S+ 0 0 1 -4,-2.2 5,-3.5 2,-0.2 -1,-0.2 0.786 111.1 54.1 -61.1 -26.4 17.0 26.9 -31.0 106 128 A K H ><5S+ 0 0 158 -4,-1.7 3,-1.8 3,-0.2 -2,-0.2 0.975 110.2 42.6 -69.7 -58.3 18.9 28.2 -34.0 107 129 A T H 3<5S+ 0 0 45 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.778 118.2 48.7 -58.7 -27.8 16.9 26.2 -36.6 108 130 A L T 3<5S- 0 0 1 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.393 107.8-125.3 -93.7 0.4 13.8 27.2 -34.7 109 131 A Q T < 5S+ 0 0 164 -3,-1.8 -3,-0.2 -5,-0.2 -4,-0.1 0.901 79.6 114.9 55.4 42.7 14.6 30.9 -34.5 110 132 A V >>< + 0 0 13 -5,-3.5 4,-1.6 -8,-0.1 3,-0.8 -0.271 26.3 150.4-135.3 48.9 14.2 30.8 -30.7 111 133 A P H 3> S+ 0 0 77 0, 0.0 4,-2.4 0, 0.0 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183 A A H > S+ 0 0 0 73,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.879 106.1 51.3 -55.0 -41.2 21.6 5.9 -18.8 162 184 A D H > S+ 0 0 28 -6,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.854 108.2 52.1 -67.0 -33.9 25.3 5.8 -17.9 163 185 A A H X S+ 0 0 15 -4,-1.5 4,-2.7 -3,-0.4 -2,-0.2 0.903 111.2 47.6 -68.2 -39.5 25.5 9.6 -18.2 164 186 A I H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.897 108.7 52.5 -69.9 -39.6 22.5 10.0 -15.9 165 187 A L H <>S+ 0 0 2 -4,-2.4 5,-2.5 2,-0.2 4,-0.2 0.913 113.0 46.8 -61.2 -41.0 23.9 7.6 -13.2 166 188 A S H ><5S+ 0 0 54 -4,-1.8 3,-2.6 1,-0.2 -2,-0.2 0.958 110.0 50.1 -64.2 -53.6 27.1 9.6 -13.2 167 189 A L H 3<5S+ 0 0 27 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.857 107.8 57.3 -52.5 -34.2 25.4 12.9 -13.0 168 190 A A T 3<5S- 0 0 0 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.544 122.6-108.8 -74.9 -9.0 23.4 11.4 -10.1 169 191 A G T < 5S+ 0 0 19 -3,-2.6 -30,-0.5 1,-0.3 2,-0.2 0.505 77.2 124.8 95.1 4.2 26.7 10.7 -8.4 170 192 A A E < -e 139 0B 7 -5,-2.5 2,-0.5 -6,-0.2 -1,-0.3 -0.625 59.1-125.3 -95.7 157.4 26.8 6.9 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4>S+ 0 0 0 -28,-1.4 5,-4.2 1,-0.2 -1,-0.2 0.889 109.6 42.4 -52.2 -42.1 21.4 -5.0 -4.6 221 243 A W H >45S+ 0 0 40 -6,-0.4 3,-1.5 3,-0.2 -1,-0.2 0.955 113.7 49.1 -71.8 -51.4 18.7 -7.6 -4.6 222 244 A K H 3<5S+ 0 0 120 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.859 118.0 40.9 -58.5 -35.8 19.5 -9.2 -1.3 223 245 A N T 3<5S- 0 0 112 -4,-3.0 -1,-0.3 -30,-0.1 -2,-0.2 0.350 114.3-114.9 -94.4 7.1 19.7 -5.8 0.4 224 246 A Q T < 5 + 0 0 160 -3,-1.5 2,-0.3 -5,-0.2 -3,-0.2 0.911 66.2 145.1 60.7 45.2 16.6 -4.4 -1.4 225 247 A R < + 0 0 70 -5,-4.2 -30,-2.4 -6,-0.2 2,-0.6 -0.431 21.1 132.6-108.7 55.4 18.6 -1.8 -3.2 226 248 A I E -g 195 0B 37 -2,-0.3 2,-0.3 -32,-0.2 -30,-0.2 -0.938 37.3-164.0-111.5 116.8 16.6 -1.9 -6.4 227 249 A I E -g 196 0B 8 -32,-2.8 -30,-2.6 -2,-0.6 2,-0.3 -0.767 6.2-145.3-102.0 145.2 15.5 1.5 -7.8 228 250 A T E +g 197 0B 57 -2,-0.3 2,-0.3 -32,-0.2 -30,-0.2 -0.792 17.9 176.8-108.9 151.9 12.9 2.2 -10.4 229 251 A V E -g 198 0B 8 -32,-1.2 -30,-1.3 -2,-0.3 -29,-0.4 -0.974 38.0-100.3-155.2 139.0 12.8 4.9 -13.1 230 252 A D >> - 0 0 67 -2,-0.3 3,-2.1 -32,-0.2 4,-0.6 -0.401 28.8-137.6 -61.1 126.2 10.5 5.8 -16.0 231 253 A Q H >> S+ 0 0 34 1,-0.3 3,-1.3 2,-0.2 4,-0.8 0.853 101.4 61.9 -52.8 -39.1 12.0 4.4 -19.2 232 254 A N H 34 S+ 0 0 65 1,-0.3 -1,-0.3 2,-0.2 4,-0.2 0.562 103.2 50.0 -67.6 -9.6 11.2 7.7 -21.0 233 255 A L H <4 S+ 0 0 24 -3,-2.1 -1,-0.3 2,-0.1 -2,-0.2 0.511 112.0 47.1-103.8 -8.1 13.4 9.6 -18.7 234 256 A I H << S+ 0 0 2 -3,-1.3 -73,-0.3 -4,-0.6 -2,-0.2 0.440 100.8 60.5-115.2 0.3 16.4 7.3 -19.1 235 257 A L S < S+ 0 0 78 -4,-0.8 2,-0.3 -75,-0.1 -75,-0.2 0.621 107.6 29.1-103.2 -14.6 16.7 6.8 -22.9 236 258 A G S S- 0 0 21 -4,-0.2 2,-1.0 -76,-0.1 -1,-0.1 -0.940 76.6-114.9-140.7 161.9 17.3 10.4 -24.1 237 259 A M + 0 0 22 -2,-0.3 -3,-0.1 -3,-0.1 -4,-0.1 -0.815 56.9 149.6-100.5 95.3 18.8 13.6 -22.7 238 260 A G > - 0 0 6 -2,-1.0 3,-1.8 -5,-0.2 4,-0.2 -0.480 63.2 -78.7-116.2-172.8 15.8 16.0 -22.5 239 261 A P T 3 S+ 0 0 24 0, 0.0 3,-0.3 0, 0.0 4,-0.2 0.538 124.0 60.1 -66.1 -7.1 14.6 19.0 -20.4 240 262 A R T 3> S+ 0 0 44 1,-0.2 4,-2.0 2,-0.1 3,-0.3 0.273 71.8 105.8-101.6 10.0 13.6 16.6 -17.6 241 263 A I H <> S+ 0 0 4 -3,-1.8 4,-2.5 1,-0.2 5,-0.2 0.886 76.9 53.0 -58.7 -38.3 17.1 15.4 -17.1 242 264 A A H > S+ 0 0 2 -3,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.880 107.4 53.1 -64.8 -36.2 17.6 17.4 -13.9 243 265 A D H > S+ 0 0 71 -3,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.929 112.0 42.8 -65.6 -45.2 14.4 15.8 -12.5 244 266 A V H X S+ 0 0 9 -4,-2.0 4,-3.0 2,-0.2 5,-0.2 0.908 115.1 50.9 -67.0 -42.1 15.5 12.2 -13.1 245 267 A V H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.908 113.5 44.3 -62.6 -40.6 19.0 13.0 -11.9 246 268 A E H X S+ 0 0 52 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.899 115.5 47.7 -71.6 -40.1 17.6 14.6 -8.7 247 269 A S H X S+ 0 0 48 -4,-2.5 4,-1.4 -5,-0.2 -2,-0.2 0.906 114.6 46.3 -65.6 -42.0 15.1 11.8 -8.1 248 270 A L H X S+ 0 0 2 -4,-3.0 4,-1.9 2,-0.2 3,-0.3 0.932 112.5 50.6 -66.3 -44.3 17.8 9.2 -8.8 249 271 A H H X S+ 0 0 18 -4,-2.5 4,-1.4 -5,-0.2 -2,-0.2 0.905 107.6 53.5 -59.6 -43.1 20.2 11.0 -6.5 250 272 A Q H < S+ 0 0 122 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.829 111.3 46.2 -61.9 -34.2 17.6 11.1 -3.7 251 273 A Q H < S+ 0 0 60 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.789 106.6 56.6 -80.5 -28.9 17.1 7.4 -3.9 252 274 A L H < S+ 0 0 2 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.799 124.2 25.9 -71.5 -26.8 20.8 6.5 -4.0 253 275 A W S < S- 0 0 42 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.1 -0.629 97.0-153.3-137.3 74.2 21.2 8.4 -0.7 254 276 A P 0 0 79 0, 0.0 -3,-0.1 0, 0.0 -4,-0.0 0.159 360.0 360.0 -49.1 157.9 17.7 8.3 1.1 255 277 A Q 0 0 239 -5,-0.1 -4,-0.1 0, 0.0 -5,-0.0 0.941 360.0 360.0 58.4 360.0 16.1 10.7 3.6 256 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 257 23 B A 0 0 55 0, 0.0 3,-0.2 0, 0.0 61,-0.0 0.000 360.0 360.0 360.0 -15.7 -7.0 -10.8 8.3 258 24 B E + 0 0 111 1,-0.4 2,-0.7 22,-0.0 0, 0.0 0.911 360.0 24.9 -91.7 -64.4 -3.2 -10.4 8.7 259 25 B R S S- 0 0 76 55,-0.1 58,-1.8 22,-0.0 57,-1.6 -0.924 85.0-167.7-104.5 115.8 -2.0 -14.0 8.6 260 26 B I E -lm 280 317F 0 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0 4 -4,-2.4 4,-1.1 2,-0.2 -2,-0.2 0.960 110.7 48.6 -65.3 -48.3 -10.4 -16.6 -5.4 271 37 B I H ><>S+ 0 0 0 -4,-2.7 5,-1.3 2,-0.2 3,-1.0 0.945 113.8 43.9 -56.5 -54.7 -8.3 -14.8 -2.8 272 38 B Y H ><5S+ 0 0 45 -4,-2.5 3,-2.7 1,-0.3 5,-0.4 0.945 110.4 56.3 -57.7 -46.9 -5.2 -14.6 -4.9 273 39 B A H 3<5S+ 0 0 53 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.741 105.3 53.9 -56.4 -23.2 -7.2 -13.5 -7.9 274 40 B M T <<5S- 0 0 2 -4,-1.1 -1,-0.3 -3,-1.0 -2,-0.2 0.209 120.0-110.9 -96.2 14.2 -8.5 -10.7 -5.7 275 41 B G T X 5S+ 0 0 54 -3,-2.7 3,-0.6 -5,-0.1 -3,-0.2 0.256 92.1 108.1 78.6 -12.0 -5.0 -9.5 -4.9 276 42 B A G > < + 0 0 0 -5,-1.3 3,-1.2 1,-0.2 -4,-0.2 0.134 37.0 110.5 -86.1 22.6 -5.1 -10.5 -1.2 277 43 B G G > + 0 0 12 -5,-0.4 3,-1.6 -6,-0.3 -1,-0.2 0.663 59.0 80.8 -69.4 -13.3 -2.7 -13.5 -1.6 278 44 B E G < S+ 0 0 127 -3,-0.6 -1,-0.3 1,-0.3 -2,-0.1 0.378 89.8 54.6 -73.1 4.9 -0.1 -11.6 0.4 279 45 B R G < S+ 0 0 50 -3,-1.2 -19,-4.1 -20,-0.1 2,-0.5 0.342 80.1 107.9-118.4 1.7 -1.9 -12.7 3.5 280 46 B V E < +l 260 0F 10 -3,-1.6 -19,-0.2 -21,-0.2 3,-0.1 -0.719 27.9 159.0 -85.6 125.6 -1.9 -16.4 2.9 281 47 B V E + 0 0 22 -21,-2.8 2,-0.3 -2,-0.5 -20,-0.2 0.343 67.7 18.0-124.2 -1.9 0.5 -18.3 5.2 282 48 B G E -l 261 0F 0 -22,-1.0 -20,-2.3 14,-0.1 -1,-0.4 -0.941 60.2-174.5-168.7 146.4 -1.0 -21.8 4.9 283 49 B V E -ln 262 298F 0 14,-2.1 16,-1.5 -2,-0.3 -20,-0.2 -0.927 24.8-104.9-142.2 166.9 -3.3 -23.8 2.7 284 50 B D > - 0 0 0 -22,-1.0 3,-1.4 -2,-0.3 17,-0.2 -0.227 40.4 -92.6 -88.3 179.4 -5.0 -27.1 2.6 285 51 B E T 3 S+ 0 0 92 1,-0.3 16,-0.1 13,-0.1 -1,-0.1 0.741 120.1 60.5 -62.6 -28.0 -4.3 -30.3 0.6 286 52 B T T 3 S+ 0 0 50 14,-0.1 2,-0.4 2,-0.0 -1,-0.3 0.583 83.0 98.5 -80.3 -8.1 -6.8 -29.3 -2.2 287 53 B T < + 0 0 3 -3,-1.4 -4,-0.1 1,-0.1 -22,-0.0 -0.673 28.9 139.4 -82.2 130.1 -4.8 -26.2 -2.9 288 54 B S + 0 0 65 -2,-0.4 -1,-0.1 1,-0.4 6,-0.1 0.189 46.3 102.3-151.2 10.6 -2.5 -26.5 -5.9 289 55 B Y + 0 0 32 1,-0.2 -1,-0.4 -24,-0.1 -20,-0.1 -0.966 57.8 37.5-158.2 143.2 -3.0 -23.2 -7.7 290 56 B P S > S- 0 0 8 0, 0.0 3,-3.3 0, 0.0 4,-0.3 0.555 81.6-126.9 -74.7 158.0 -1.7 -20.5 -8.1 291 57 B P G > S+ 0 0 54 0, 0.0 3,-2.5 0, 0.0 4,-0.4 0.782 105.0 69.7 -37.9 -42.6 1.9 -21.8 -8.3 292 58 B E G > S+ 0 0 78 1,-0.3 3,-0.6 2,-0.2 4,-0.2 0.693 89.4 64.6 -55.2 -19.5 3.0 -19.4 -5.6 293 59 B T G X S+ 0 0 1 -3,-3.3 3,-1.2 1,-0.2 -1,-0.3 0.682 81.5 79.5 -78.4 -17.1 1.0 -21.4 -3.1 294 60 B A G < S+ 0 0 44 -3,-2.5 518,-0.5 -4,-0.3 -1,-0.2 0.792 90.5 52.1 -60.7 -30.2 3.3 -24.5 -3.6 295 61 B K G < S+ 0 0 71 -3,-0.6 -1,-0.3 -4,-0.4 -2,-0.1 0.600 93.4 93.0 -82.6 -12.3 6.0 -23.0 -1.4 296 62 B L S < S- 0 0 23 -3,-1.2 516,-0.3 -4,-0.2 -14,-0.1 -0.486 89.0 -98.4 -80.8 151.0 3.5 -22.4 1.4 297 63 B P - 0 0 24 0, 0.0 -14,-2.1 0, 0.0 2,-0.3 -0.444 36.8-146.1 -70.8 140.6 2.9 -25.0 4.1 298 64 B H B -nO 283 810F 9 512,-2.7 512,-1.0 -16,-0.2 -14,-0.3 -0.733 14.2-170.4-104.3 157.8 -0.0 -27.3 3.7 299 65 B I - 0 0 14 -16,-1.5 -15,-0.2 -2,-0.3 10,-0.2 0.761 47.6 -76.9-115.2 -44.0 -2.2 -28.8 6.4 300 66 B G - 0 0 13 -17,-0.2 4,-0.3 5,-0.1 6,-0.2 -0.391 62.1 -44.2 143.7 139.0 -4.6 -31.4 5.0 301 67 B Y > - 0 0 66 1,-0.2 3,-3.9 -17,-0.2 4,-0.2 0.168 52.2-131.2 -23.2 115.5 -7.8 -32.0 3.1 302 68 B W G > S+ 0 0 15 1,-0.3 23,-1.1 2,-0.3 3,-0.6 0.773 111.8 58.0 -47.1 -30.9 -10.3 -29.5 4.5 303 69 B K G 3 S+ 0 0 124 1,-0.2 -1,-0.3 21,-0.2 -2,-0.1 0.341 121.8 26.8 -82.4 5.9 -12.7 -32.5 4.7 304 70 B Q G < S+ 0 0 116 -3,-3.9 -2,-0.3 -4,-0.3 -1,-0.2 0.037 94.0 177.6-149.2 13.9 -10.0 -34.0 6.9 305 71 B L < - 0 0 2 20,-1.6 2,-0.3 -3,-0.6 -4,-0.1 0.084 27.3-125.9 -31.7 120.1 -8.6 -30.7 8.1 306 72 B S > - 0 0 26 -6,-0.2 4,-1.1 1,-0.1 -1,-0.1 -0.560 10.6-151.9 -78.9 136.1 -5.8 -31.3 10.6 307 73 B S H > S+ 0 0 31 -2,-0.3 4,-1.4 2,-0.2 3,-0.2 0.978 93.4 40.6 -68.7 -60.3 -6.0 -29.5 14.0 308 74 B E H > S+ 0 0 89 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.861 107.5 64.3 -58.6 -41.1 -2.3 -29.2 14.8 309 75 B G H 4 S+ 0 0 5 2,-0.2 4,-0.3 -10,-0.2 -1,-0.2 0.935 108.4 37.9 -49.1 -57.0 -1.3 -28.2 11.3 310 76 B I H >< S+ 0 0 1 -4,-1.1 3,-3.3 1,-0.2 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