==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PENTAPEPTIDE REPEAT PROTEIN 09-MAR-05 2BM6 . COMPND 2 MOLECULE: PENTAPEPTIDE REPEAT FAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR S.S.HEGDE,M.W.VETTING,S.L.RODERICK,L.A.MITCHENALL,A.MAXWELL, . 178 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8610.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 149 83.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 67 37.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 28 15.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 19 0 4 1 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 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 3 0 0 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 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 3 A Q 0 0 169 0, 0.0 2,-0.7 0, 0.0 21,-0.2 0.000 360.0 360.0 360.0 124.2 5.4 23.2 6.2 2 4 A W E +a 22 0A 64 19,-2.5 21,-2.0 3,-0.0 2,-0.4 -0.927 360.0 176.9-109.5 106.7 8.9 23.4 5.0 3 5 A V E -a 23 0A 58 -2,-0.7 21,-0.2 19,-0.2 22,-0.1 -0.924 52.9 -12.7-119.3 138.5 10.1 19.8 4.7 4 6 A D E S+ 0 0 104 19,-2.3 2,-0.3 -2,-0.4 21,-0.2 0.871 101.6 105.5 40.1 60.0 13.4 18.4 3.5 5 7 A C E -a 25 0A 41 19,-0.7 21,-2.2 18,-0.2 2,-0.3 -0.939 57.6-127.3-152.0 169.0 14.8 21.5 1.8 6 8 A E E -a 26 0A 146 -2,-0.3 2,-0.4 19,-0.2 21,-0.2 -0.848 7.2-161.7-123.4 163.4 17.4 24.2 2.4 7 9 A F E -a 27 0A 31 19,-2.5 21,-3.1 -2,-0.3 2,-0.4 -0.958 12.4-173.7-147.0 120.3 17.6 27.9 2.5 8 10 A T E -a 28 0A 94 -2,-0.4 21,-0.2 19,-0.2 3,-0.1 -0.963 67.6 -12.1-121.9 135.7 20.8 29.8 2.2 9 11 A G S S+ 0 0 55 19,-2.6 2,-0.2 -2,-0.4 21,-0.2 0.735 88.6 160.9 50.5 27.1 21.5 33.5 2.6 10 12 A R - 0 0 117 18,-0.3 21,-2.9 1,-0.0 2,-0.7 -0.552 37.6-137.2 -81.1 144.1 17.7 34.1 2.5 11 13 A D B +k 31 0B 76 -2,-0.2 21,-0.1 19,-0.2 19,-0.1 -0.892 30.7 164.3-104.9 108.8 16.2 37.3 3.9 12 14 A F > + 0 0 0 19,-2.2 3,-1.4 -2,-0.7 -1,-0.1 0.197 22.4 166.0-106.6 14.8 13.1 36.7 5.9 13 15 A R T 3 - 0 0 131 1,-0.2 21,-0.2 18,-0.1 3,-0.1 0.044 62.9 -12.5 -51.6 131.5 13.0 40.1 7.6 14 16 A D T 3 S+ 0 0 108 19,-3.5 -1,-0.2 1,-0.2 2,-0.2 0.725 94.6 147.6 55.6 27.1 10.0 41.3 9.4 15 17 A E < - 0 0 79 -3,-1.4 21,-2.5 18,-0.3 2,-0.9 -0.537 55.2-121.2 -87.0 155.2 7.9 38.5 8.0 16 18 A D B +q 36 0C 108 19,-0.2 21,-0.2 -2,-0.2 19,-0.1 -0.881 44.6 157.3 -92.6 109.7 5.1 36.9 9.8 17 19 A L > + 0 0 21 19,-3.3 3,-1.8 -2,-0.9 -1,-0.1 -0.009 18.6 153.7-116.0 25.0 6.1 33.2 10.0 18 20 A S T 3 + 0 0 44 1,-0.2 21,-0.2 18,-0.2 19,-0.1 -0.219 65.6 15.3 -57.5 143.3 4.0 32.4 13.0 19 21 A R T 3 S+ 0 0 183 19,-2.6 -1,-0.2 1,-0.2 21,-0.2 0.573 86.1 162.9 69.5 11.5 2.9 28.7 13.3 20 22 A L < - 0 0 20 -3,-1.8 21,-2.9 18,-0.3 2,-0.4 -0.330 24.0-155.6 -60.3 141.4 5.5 27.7 10.8 21 23 A H E + b 0 41A 71 19,-0.2 -19,-2.5 2,-0.0 2,-0.4 -0.966 14.4 179.0-120.2 130.1 6.3 23.9 10.8 22 24 A T E -ab 2 42A 6 19,-2.8 21,-1.5 -2,-0.4 2,-0.4 -0.989 13.8-173.6-133.6 149.8 9.6 22.6 9.6 23 25 A E E S-ab 3 43A 59 -21,-2.0 -19,-2.3 -2,-0.4 21,-0.2 -0.940 79.8 -15.4-141.5 111.3 11.0 19.2 9.4 24 26 A R E S+ 0 0 116 19,-1.8 -19,-0.7 -2,-0.4 2,-0.5 0.929 86.2 157.6 59.7 43.1 14.6 18.8 8.3 25 27 A A E -a 5 0A 0 -21,-0.2 21,-2.7 18,-0.2 2,-0.7 -0.882 28.9-154.5 -98.5 129.4 14.8 22.3 7.0 26 28 A M E -ac 6 46A 65 -21,-2.2 -19,-2.5 -2,-0.5 2,-0.5 -0.915 11.6-174.1-109.7 109.9 18.4 23.5 6.8 27 29 A F E -ac 7 47A 1 19,-3.0 21,-3.2 -2,-0.7 2,-0.5 -0.913 1.3-175.9-104.0 128.1 18.8 27.3 7.0 28 30 A S E -ac 8 48A 29 -21,-3.1 -19,-2.6 -2,-0.5 -18,-0.3 -0.974 69.1 -14.1-126.5 123.7 22.2 28.8 6.6 29 31 A E S S+ 0 0 97 19,-2.7 2,-0.3 -2,-0.5 21,-0.2 0.852 87.7 159.8 59.7 38.1 23.0 32.5 7.0 30 32 A C - 0 0 1 18,-0.3 21,-2.0 -21,-0.2 2,-0.7 -0.702 38.7-129.9 -93.1 144.8 19.3 33.4 6.8 31 33 A D B +kl 11 51B 43 -21,-2.9 -19,-2.2 -2,-0.3 -18,-0.1 -0.856 30.4 169.0 -97.6 111.5 18.1 36.7 8.2 32 34 A F > + 0 0 2 19,-2.9 3,-1.7 -2,-0.7 -1,-0.1 -0.033 21.1 153.0-109.7 33.6 15.2 36.5 10.6 33 35 A S T 3 S- 0 0 4 1,-0.3 -19,-3.5 19,-0.1 -18,-0.3 -0.357 73.8 -1.3 -66.4 136.8 15.3 40.0 12.0 34 36 A G T 3 S+ 0 0 20 19,-2.8 -1,-0.3 1,-0.2 2,-0.2 0.553 96.8 150.3 63.4 6.6 12.0 41.3 13.2 35 37 A V < - 0 0 0 -3,-1.7 21,-2.6 18,-0.2 2,-0.8 -0.439 46.0-138.1 -74.0 140.8 10.4 38.1 12.2 36 38 A N B +qr 16 56C 50 -21,-2.5 -19,-3.3 19,-0.2 -18,-0.2 -0.904 35.2 158.9 -98.2 113.1 7.4 36.8 14.1 37 39 A L > + 0 0 2 19,-2.9 3,-1.2 -2,-0.8 -1,-0.1 -0.012 17.7 150.4-122.5 26.0 7.9 33.0 14.6 38 40 A A T 3 + 0 0 10 1,-0.2 -19,-2.6 -20,-0.1 -18,-0.3 -0.265 66.6 13.3 -61.1 148.1 5.6 32.4 17.6 39 41 A E T 3 S+ 0 0 94 19,-1.5 -1,-0.2 -21,-0.2 21,-0.2 0.742 91.0 149.1 58.4 25.0 4.0 29.0 17.9 40 42 A S < - 0 0 0 -3,-1.2 21,-1.9 18,-0.3 2,-0.4 -0.457 35.8-145.1 -84.8 164.8 6.3 27.5 15.3 41 43 A Q E +bd 21 61A 87 -21,-2.9 -19,-2.8 19,-0.2 2,-0.4 -0.986 16.7 179.7-137.8 127.6 7.4 23.8 15.4 42 44 A H E +bd 22 62A 3 19,-3.0 21,-2.0 -2,-0.4 2,-0.4 -0.989 7.3 173.2-133.2 135.9 10.7 22.4 14.4 43 45 A R E S-bd 23 63A 124 -21,-1.5 -19,-1.8 -2,-0.4 21,-0.2 -0.986 75.0 -7.2-144.9 122.7 12.1 19.0 14.4 44 46 A G S S+ 0 0 29 19,-2.5 21,-0.2 -2,-0.4 20,-0.1 0.539 96.9 134.4 72.5 5.9 15.4 18.0 13.0 45 47 A S - 0 0 2 18,-0.3 21,-2.6 -23,-0.2 2,-0.4 -0.376 44.5-142.7 -86.7 170.4 16.0 21.4 11.5 46 48 A A E -ce 26 66A 1 -21,-2.7 -19,-3.0 19,-0.2 2,-0.4 -0.981 13.6-172.7-131.5 140.1 19.1 23.5 11.5 47 49 A F E -c 27 0A 4 19,-2.2 2,-0.5 -2,-0.4 3,-0.4 -0.830 25.7-174.0-132.3 88.3 19.5 27.3 11.8 48 50 A R E -c 28 0A 83 -21,-3.2 -19,-2.7 -2,-0.4 -18,-0.3 -0.793 61.3 -21.3 -97.1 123.5 23.1 27.7 11.2 49 51 A N S S+ 0 0 76 19,-2.4 -1,-0.2 -2,-0.5 2,-0.2 0.860 94.9 153.7 48.5 38.7 24.9 31.1 11.5 50 52 A C - 0 0 1 -3,-0.4 21,-2.4 -21,-0.2 2,-0.5 -0.592 44.9-119.3 -92.6 161.4 21.5 32.8 11.1 51 53 A T E -lm 31 71B 44 -21,-2.0 -19,-2.9 -2,-0.2 2,-0.6 -0.903 26.1-178.6-107.1 123.0 20.7 36.2 12.5 52 54 A F E + m 0 72B 1 19,-3.7 21,-2.6 -2,-0.5 2,-0.6 -0.712 10.8 168.3-118.6 81.8 17.9 36.5 15.0 53 55 A E E S- m 0 73B 84 -2,-0.6 -19,-2.8 1,-0.2 -18,-0.2 -0.837 76.6 -20.7-100.2 122.6 17.5 40.2 16.0 54 56 A R S S+ 0 0 147 19,-3.6 -1,-0.2 -2,-0.6 2,-0.2 0.831 93.6 163.2 56.6 30.6 14.3 41.0 17.9 55 57 A T - 0 0 0 -3,-0.4 21,-1.9 18,-0.3 2,-0.7 -0.615 37.8-133.4 -81.1 142.6 12.9 37.8 16.5 56 58 A T B +rs 36 76C 17 -21,-2.6 -19,-2.9 -2,-0.2 21,-0.1 -0.904 40.6 154.1 -99.7 110.5 9.8 36.6 18.4 57 59 A L > + 0 0 4 19,-2.1 3,-0.6 -2,-0.7 -17,-0.2 0.306 24.1 135.0-115.5 5.9 10.2 32.8 19.0 58 60 A W T 3 + 0 0 87 18,-0.4 -19,-1.5 1,-0.2 -18,-0.3 -0.116 65.1 23.7 -64.6 157.6 8.1 32.3 22.1 59 61 A H T 3 S+ 0 0 91 20,-2.1 -1,-0.2 1,-0.2 2,-0.2 0.776 98.0 132.6 59.9 31.2 5.6 29.4 22.5 60 62 A S E < - f 0 80A 0 -3,-0.6 21,-2.5 19,-0.6 2,-0.4 -0.596 49.9-136.2-108.6 172.9 7.7 27.4 20.0 61 63 A T E +df 41 81A 41 -21,-1.9 -19,-3.0 -2,-0.2 2,-0.4 -0.993 16.7 178.7-131.7 128.8 9.0 23.9 19.9 62 64 A F E +df 42 82A 10 19,-2.9 21,-1.9 -2,-0.4 2,-0.4 -0.994 6.7 179.7-129.9 124.2 12.5 22.8 18.8 63 65 A A E S-df 43 83A 4 -21,-2.0 -19,-2.5 -2,-0.4 -18,-0.3 -0.991 71.4 -14.4-130.4 123.5 13.3 19.1 18.9 64 66 A Q S S+ 0 0 69 19,-3.4 2,-0.3 -2,-0.4 21,-0.2 0.936 98.5 148.6 52.0 46.8 16.7 17.7 17.8 65 67 A C - 0 0 4 19,-0.4 21,-2.4 18,-0.3 2,-0.4 -0.818 42.2-136.9-110.7 157.4 17.4 21.0 16.1 66 68 A S B +eg 46 86A 13 -21,-2.6 -19,-2.2 -2,-0.3 21,-0.2 -0.887 22.8 172.5-110.2 144.3 20.7 22.8 15.6 67 69 A M > + 0 0 6 19,-2.7 3,-2.6 -2,-0.4 -18,-0.2 0.061 24.9 167.6-130.3 17.8 21.3 26.5 16.1 68 70 A L T 3 - 0 0 48 1,-0.3 -19,-2.4 18,-0.2 21,-0.2 -0.029 68.2 -5.3 -45.6 121.4 25.0 26.3 15.7 69 71 A G T 3 S+ 0 0 13 19,-2.1 -1,-0.3 -21,-0.2 20,-0.1 0.388 92.4 145.2 77.9 -6.8 26.6 29.8 15.2 70 72 A S < - 0 0 0 -3,-2.6 21,-2.9 -23,-0.4 2,-0.5 -0.296 42.8-137.1 -67.3 149.8 23.3 31.7 15.2 71 73 A V E -mn 51 91B 51 -21,-2.4 -19,-3.7 19,-0.2 2,-0.5 -0.934 16.0-168.9-110.3 129.0 23.2 35.2 16.7 72 74 A F E -m 52 0B 5 19,-2.6 2,-0.5 -2,-0.5 -19,-0.2 -0.981 5.9-179.1-119.0 119.3 20.2 36.1 18.9 73 75 A V E -m 53 0B 66 -21,-2.6 -19,-3.6 -2,-0.5 -18,-0.3 -0.969 68.5 -22.7-125.3 116.7 19.8 39.7 19.8 74 76 A A S S+ 0 0 67 -2,-0.5 2,-0.2 19,-0.4 -1,-0.1 0.927 89.1 163.4 50.6 53.5 16.9 40.9 22.0 75 77 A C - 0 0 10 -21,-0.2 2,-0.8 -22,-0.1 21,-0.5 -0.642 45.0-120.7 -99.2 156.6 14.7 38.0 21.1 76 78 A R B +s 56 0C 122 -21,-1.9 -19,-2.1 -2,-0.2 -18,-0.4 -0.876 42.7 161.4 -96.5 116.1 11.6 36.8 23.0 77 79 A L + 0 0 8 -2,-0.8 -1,-0.1 19,-0.5 -21,-0.1 0.178 25.4 130.8-121.8 14.2 12.5 33.3 24.0 78 80 A R + 0 0 96 1,-0.1 -20,-0.2 -20,-0.0 2,-0.1 -0.997 62.8 16.6-139.3 138.9 10.1 32.5 26.7 79 81 A P S S+ 0 0 69 0, 0.0 -20,-2.1 0, 0.0 -19,-0.6 0.685 85.1 159.9 -80.7 178.0 8.5 30.4 27.2 80 82 A L E -f 60 0A 28 -22,-0.2 2,-0.6 -21,-0.2 21,-0.4 -0.991 35.8-136.3-159.5 145.9 10.0 27.8 24.8 81 83 A T E +f 61 0A 84 -21,-2.5 -19,-2.9 -2,-0.3 2,-0.4 -0.924 30.6 173.4-113.4 113.2 10.0 24.0 24.4 82 84 A L E +f 62 0A 25 -2,-0.6 2,-0.3 19,-0.4 -19,-0.2 -0.925 14.5 180.0-118.4 141.0 13.4 22.6 23.6 83 85 A D E S-f 63 0A 97 -21,-1.9 -19,-3.4 -2,-0.4 -18,-0.3 -0.882 76.9 -25.3-139.7 105.3 14.5 18.9 23.4 84 86 A D S S+ 0 0 68 19,-0.5 2,-0.5 -2,-0.3 -19,-0.4 0.985 81.5 170.8 56.9 69.0 18.2 18.3 22.5 85 87 A V - 0 0 0 -21,-0.2 21,-0.8 -22,-0.1 2,-0.7 -0.949 29.8-133.8-113.2 132.0 18.9 21.6 20.7 86 88 A D B +gh 66 106A 19 -21,-2.4 -19,-2.7 -2,-0.5 -18,-0.2 -0.735 28.8 169.7 -89.4 114.7 22.5 22.3 19.9 87 89 A F > + 0 0 19 19,-2.3 3,-2.2 -2,-0.7 -18,-0.2 0.190 23.8 152.4-105.1 14.5 23.5 25.9 20.7 88 90 A T T 3 S- 0 0 24 1,-0.3 -19,-2.1 -20,-0.1 -18,-0.2 -0.156 74.6 -0.6 -46.9 133.6 27.2 25.3 20.1 89 91 A L T 3 S+ 0 0 94 19,-2.7 -1,-0.3 -21,-0.2 20,-0.1 0.393 99.9 140.9 63.4 1.7 29.0 28.6 19.0 90 92 A A < - 0 0 1 -3,-2.2 21,-2.6 18,-0.2 2,-0.7 -0.216 52.4-127.1 -72.3 158.5 25.7 30.5 19.2 91 93 A V B +no 71 111B 52 -21,-2.9 -19,-2.6 19,-0.2 21,-0.1 -0.897 39.8 155.1-112.7 107.3 25.5 34.1 20.6 92 94 A L > + 0 0 10 19,-2.4 3,-2.0 -2,-0.7 20,-0.2 0.262 23.1 151.4-112.8 10.9 22.9 34.4 23.3 93 95 A G T 3 + 0 0 19 18,-0.3 -19,-0.4 1,-0.3 21,-0.2 -0.037 67.8 3.9 -48.2 137.2 24.4 37.4 25.0 94 96 A G T 3 S+ 0 0 52 19,-2.1 -1,-0.3 1,-0.2 21,-0.1 0.344 94.9 132.5 70.3 -6.7 22.0 39.8 26.8 95 97 A N < - 0 0 4 -3,-2.0 21,-2.2 -23,-0.2 2,-0.8 -0.400 59.8-120.7 -78.8 157.8 18.9 37.7 26.2 96 98 A D B +t 116 0D 48 -21,-0.5 -19,-0.5 19,-0.2 21,-0.1 -0.868 42.7 157.1 -96.4 112.0 16.3 36.8 28.9 97 99 A L > + 0 0 8 19,-2.9 3,-2.1 -2,-0.8 20,-0.2 0.200 17.6 159.7-114.2 9.5 16.2 33.0 29.1 98 100 A R T 3 + 0 0 93 18,-0.5 21,-0.2 1,-0.2 19,-0.1 0.080 66.0 4.2 -41.0 137.1 14.8 32.8 32.7 99 101 A G T 3 S+ 0 0 48 19,-2.5 -1,-0.2 1,-0.2 20,-0.1 0.356 86.7 145.8 72.6 -9.8 13.1 29.5 33.6 100 102 A L < - 0 0 11 -3,-2.1 21,-2.3 18,-0.2 2,-0.6 -0.365 51.0-127.4 -63.6 140.5 13.8 27.8 30.4 101 103 A N B +w 121 0E 92 -21,-0.4 -19,-0.4 19,-0.2 21,-0.1 -0.827 36.4 166.7 -89.4 119.1 14.5 24.0 30.7 102 104 A L > + 0 0 9 19,-3.3 3,-2.2 -2,-0.6 -1,-0.1 -0.124 11.5 171.0-125.4 31.3 17.8 23.4 28.9 103 105 A T T 3 S- 0 0 72 1,-0.3 -19,-0.5 -21,-0.1 21,-0.2 -0.149 71.8 -8.5 -50.9 129.1 18.5 19.8 30.1 104 106 A G T 3 S+ 0 0 32 19,-3.1 -1,-0.3 1,-0.2 2,-0.2 0.684 95.0 151.9 57.6 16.5 21.4 18.2 28.3 105 107 A C < - 0 0 2 -3,-2.2 21,-2.1 18,-0.2 2,-0.5 -0.576 47.4-121.8 -81.0 145.1 21.6 21.1 25.8 106 108 A R B +hi 86 126A 93 -21,-0.8 -19,-2.3 -2,-0.2 21,-0.1 -0.741 37.5 164.7 -86.3 130.4 24.9 21.8 24.3 107 109 A L > + 0 0 1 19,-3.0 3,-1.5 -2,-0.5 2,-0.2 -0.270 19.6 159.8-132.5 38.3 26.1 25.4 24.9 108 110 A R T 3 S- 0 0 103 1,-0.3 -19,-2.7 21,-0.1 -18,-0.2 -0.506 75.2 -6.2 -70.4 133.7 29.7 24.7 24.0 109 111 A E T 3 S+ 0 0 78 19,-2.4 -1,-0.3 -2,-0.2 2,-0.2 0.736 98.5 152.9 54.7 25.2 31.5 27.9 23.1 110 112 A T < - 0 0 0 -3,-1.5 21,-2.1 18,-0.2 2,-0.7 -0.582 48.1-124.6 -81.2 145.5 28.2 29.7 23.4 111 113 A S B +op 91 131B 16 -21,-2.6 -19,-2.4 19,-0.2 -18,-0.3 -0.877 35.4 167.7 -94.7 119.6 28.3 33.3 24.4 112 114 A L > + 0 0 2 19,-2.9 3,-2.1 -2,-0.7 2,-0.3 -0.056 17.1 158.1-115.0 23.4 26.2 33.9 27.5 113 115 A V T 3 S- 0 0 47 1,-0.3 -19,-2.1 22,-0.1 21,-0.2 -0.371 78.1 -13.8 -63.0 117.9 27.5 37.4 28.2 114 116 A D T 3 S+ 0 0 105 19,-1.9 2,-0.4 -2,-0.3 -1,-0.3 0.788 97.7 152.7 59.6 33.1 24.9 39.3 30.4 115 117 A T < - 0 0 0 -3,-2.1 21,-2.6 18,-0.2 2,-0.9 -0.783 45.1-132.7 -93.1 135.9 22.4 36.6 29.6 116 118 A D B +tu 96 136D 20 -21,-2.2 -19,-2.9 -2,-0.4 -18,-0.5 -0.783 39.3 157.0 -91.7 103.3 19.7 36.0 32.3 117 119 A L > + 0 0 1 19,-2.1 3,-2.2 -2,-0.9 -1,-0.1 -0.040 19.1 159.7-111.0 26.2 19.4 32.3 32.9 118 120 A R T 3 S+ 0 0 68 1,-0.3 -19,-2.5 22,-0.1 21,-0.2 -0.240 71.4 0.1 -57.0 135.7 17.9 32.6 36.4 119 121 A K T 3 S+ 0 0 148 19,-2.5 -1,-0.3 1,-0.2 21,-0.2 0.569 95.1 152.9 63.7 8.2 16.1 29.5 37.5 120 122 A C < - 0 0 0 -3,-2.2 21,-2.7 18,-0.2 2,-0.8 -0.304 48.8-124.1 -65.0 150.2 17.0 27.8 34.2 121 123 A V B +wx 101 141E 42 -21,-2.3 -19,-3.3 19,-0.2 21,-0.1 -0.889 41.1 160.9 -99.7 113.1 17.3 24.0 34.3 122 124 A L > + 0 0 0 19,-2.3 3,-2.3 -2,-0.8 -1,-0.1 0.075 13.1 155.0-117.7 24.1 20.8 23.1 33.0 123 125 A R T 3 S+ 0 0 105 1,-0.3 -19,-3.1 22,-0.1 -18,-0.2 -0.258 77.3 0.1 -54.8 134.1 21.1 19.6 34.3 124 126 A G T 3 S+ 0 0 44 19,-1.9 -1,-0.3 18,-0.2 21,-0.1 0.513 97.8 146.8 62.0 6.7 23.5 17.6 32.2 125 127 A A < - 0 0 0 -3,-2.3 21,-2.9 18,-0.2 2,-0.6 -0.246 47.2-130.2 -69.8 159.3 24.1 20.6 29.9 126 128 A D B +ij 106 146A 33 -21,-2.1 -19,-3.0 19,-0.2 21,-0.2 -0.924 33.0 165.1-115.0 110.3 27.5 21.1 28.4 127 129 A L > + 0 0 7 19,-3.4 3,-2.2 -2,-0.6 21,-0.4 0.081 17.4 154.5-111.8 25.0 28.9 24.6 28.8 128 130 A S T 3 S+ 0 0 18 1,-0.3 -19,-2.4 19,-0.2 -18,-0.2 -0.300 77.2 0.7 -52.6 126.3 32.6 23.9 27.9 129 131 A G T 3 S+ 0 0 21 -21,-0.2 -1,-0.3 1,-0.2 -21,-0.1 0.453 91.7 151.1 71.9 0.4 34.1 27.1 26.6 130 132 A A < - 0 0 6 -3,-2.2 2,-0.7 -21,-0.2 -19,-0.2 -0.335 48.2-124.9 -62.4 151.6 30.9 29.3 27.1 131 133 A R B +p 111 0B 157 -21,-2.1 -19,-2.9 1,-0.1 -1,-0.1 -0.894 34.1 173.3-101.2 112.1 31.6 33.0 27.9 132 134 A T > + 0 0 6 -2,-0.7 3,-2.9 -21,-0.1 -18,-0.2 0.277 18.5 143.5-106.9 8.3 29.8 33.8 31.1 133 135 A T T 3 S+ 0 0 90 1,-0.3 -19,-1.9 -20,-0.1 -18,-0.2 -0.283 86.0 1.5 -49.3 126.5 30.8 37.3 31.9 134 136 A G T 3 S+ 0 0 35 20,-0.7 -1,-0.3 1,-0.2 2,-0.1 0.535 96.9 150.1 68.5 6.2 27.7 39.1 33.5 135 137 A A < - 0 0 2 -3,-2.9 21,-2.0 -21,-0.2 2,-0.6 -0.451 40.0-143.4 -70.6 142.2 25.7 35.8 33.2 136 138 A R B +uv 116 156D 91 -21,-2.6 -19,-2.1 19,-0.2 21,-0.1 -0.907 31.5 160.8-113.6 108.3 23.1 35.3 35.8 137 139 A L > + 0 0 3 19,-2.2 3,-1.9 -2,-0.6 20,-0.1 0.039 21.2 151.9-111.6 26.2 22.7 31.8 37.0 138 140 A D T 3 S- 0 0 15 1,-0.3 -19,-2.5 22,-0.1 -18,-0.2 -0.289 75.6 -1.0 -60.0 135.5 20.8 32.4 40.3 139 141 A D T 3 S+ 0 0 89 19,-1.9 -1,-0.3 -21,-0.2 2,-0.2 0.714 100.3 140.9 56.3 24.0 18.6 29.7 41.4 140 142 A A < - 0 0 0 -3,-1.9 21,-2.9 -21,-0.2 2,-0.7 -0.580 55.4-120.2 -92.2 157.9 19.5 27.7 38.3 141 143 A D B +xy 121 161E 14 -21,-2.7 -19,-2.3 19,-0.2 21,-0.1 -0.846 39.1 161.9-103.4 106.6 20.0 23.9 38.3 142 144 A L > + 0 0 4 19,-2.5 3,-2.6 -2,-0.7 -18,-0.2 0.443 17.7 143.7-100.8 -1.7 23.5 22.9 37.2 143 145 A R T 3 S+ 0 0 63 18,-0.6 -19,-1.9 1,-0.3 -18,-0.2 -0.101 79.7 0.8 -47.4 130.6 23.9 19.4 38.4 144 146 A G T 3 S+ 0 0 46 1,-0.3 -1,-0.3 -21,-0.2 2,-0.1 0.380 96.1 135.0 73.7 -7.9 25.9 17.2 36.1 145 147 A A < - 0 0 8 -3,-2.6 2,-0.7 -21,-0.1 -1,-0.3 -0.452 60.2-123.3 -66.3 146.5 26.4 20.1 33.6 146 148 A T B +j 126 0A 74 -21,-2.9 -19,-3.4 -2,-0.1 2,-0.3 -0.884 42.8 170.9 -97.8 117.6 29.9 20.3 32.4 147 149 A V - 0 0 28 -2,-0.7 -19,-0.2 -21,-0.2 -3,-0.0 -0.966 31.8-118.0-133.1 148.3 31.3 23.7 33.2 148 150 A D >> - 0 0 50 -21,-0.4 3,-1.7 -2,-0.3 4,-0.7 -0.440 30.2-114.6 -78.7 153.8 34.6 25.5 33.1 149 151 A P G >4 S+ 0 0 80 0, 0.0 3,-0.8 0, 0.0 4,-0.4 0.868 112.3 67.7 -57.2 -27.1 36.3 26.8 36.2 150 152 A V G >4 S+ 0 0 56 1,-0.3 3,-1.0 2,-0.2 4,-0.2 0.775 88.2 65.0 -64.6 -23.4 35.9 30.4 34.8 151 153 A L G X> S+ 0 0 5 -3,-1.7 4,-2.2 1,-0.2 3,-2.1 0.923 91.4 64.7 -62.9 -39.7 32.1 30.1 35.2 152 154 A W G << S+ 0 0 9 -3,-0.8 -1,-0.2 -4,-0.7 -2,-0.2 0.652 110.3 36.7 -59.1 -20.3 32.5 29.9 39.0 153 155 A R G <4 S+ 0 0 150 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.246 120.5 45.0-116.9 15.3 34.0 33.4 39.1 154 156 A T T <4 S+ 0 0 43 -3,-2.1 -20,-0.7 -4,-0.2 2,-0.2 0.706 97.3 63.1-122.8 -42.2 31.9 35.1 36.4 155 157 A A S < S- 0 0 10 -4,-2.2 2,-0.4 -5,-0.2 -19,-0.2 -0.582 83.0-113.5 -88.0 149.6 28.2 34.2 36.8 156 158 A S B -v 136 0D 43 -21,-2.0 -19,-2.2 -2,-0.2 -3,-0.1 -0.674 35.2-179.6 -78.5 134.1 26.1 35.1 39.8 157 159 A L > + 0 0 31 -2,-0.4 3,-2.3 -21,-0.1 2,-0.2 0.119 12.8 158.3-124.4 24.8 25.1 31.9 41.5 158 160 A V T 3 S- 0 0 109 1,-0.3 -19,-1.9 -20,-0.1 -18,-0.1 -0.273 84.9 -7.7 -56.5 116.8 22.9 32.6 44.5 159 161 A G T 3 S+ 0 0 49 1,-0.2 -1,-0.3 -21,-0.2 -21,-0.1 0.446 91.0 157.4 79.1 -4.1 21.0 29.5 45.3 160 162 A A < - 0 0 20 -3,-2.3 2,-0.5 -21,-0.1 -1,-0.2 -0.228 42.5-123.1 -53.2 144.9 22.2 27.7 42.1 161 163 A R B +y 141 0E 133 -21,-2.9 -19,-2.5 -18,-0.0 -18,-0.6 -0.851 40.4 167.4 -97.1 128.0 22.0 23.9 42.6 162 164 A V - 0 0 56 -2,-0.5 2,-0.2 -20,-0.2 -19,-0.1 -0.845 31.7-120.1-135.3 166.9 25.2 21.9 42.1 163 165 A D > - 0 0 47 -2,-0.3 4,-1.9 -21,-0.1 3,-0.3 -0.474 46.4 -90.9 -96.7 179.1 26.8 18.5 42.6 164 166 A V H > S+ 0 0 116 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.827 122.9 55.4 -57.0 -40.0 29.9 17.8 44.7 165 167 A D H > S+ 0 0 125 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.889 108.2 46.3 -61.8 -45.8 32.3 18.3 41.8 166 168 A Q H > S+ 0 0 11 -3,-0.3 4,-2.8 2,-0.2 5,-0.2 0.925 110.3 53.3 -65.6 -43.9 31.1 21.7 40.9 167 169 A A H X S+ 0 0 48 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.934 111.5 47.6 -53.8 -49.5 31.2 22.8 44.6 168 170 A V H X S+ 0 0 62 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.939 112.5 47.5 -59.2 -48.6 34.8 21.6 44.7 169 171 A A H X S+ 0 0 29 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.827 110.4 53.4 -63.1 -32.2 35.6 23.5 41.4 170 172 A F H X S+ 0 0 85 -4,-2.8 4,-0.9 2,-0.2 -1,-0.2 0.944 109.0 50.1 -62.7 -48.3 33.8 26.6 42.8 171 173 A A H ><>S+ 0 0 26 -4,-2.5 5,-1.8 1,-0.2 3,-0.8 0.906 112.2 45.2 -58.8 -44.9 36.1 26.3 45.9 172 174 A A H ><5S+ 0 0 53 -4,-2.5 3,-1.2 1,-0.2 -1,-0.2 0.822 107.0 60.0 -71.8 -28.4 39.3 26.1 43.8 173 175 A A H 3<5S+ 0 0 13 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.650 102.7 53.8 -69.9 -21.3 38.1 28.9 41.6 174 176 A H T <<5S- 0 0 97 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.007 131.4 -86.6-100.1 19.4 38.0 31.2 44.7 175 177 A G T < 5S+ 0 0 63 -3,-1.2 2,-0.3 1,-0.3 -3,-0.2 0.475 81.4 136.1 95.5 1.8 41.6 30.5 45.7 176 178 A L < - 0 0 108 -5,-1.8 2,-0.7 1,-0.0 -1,-0.3 -0.644 48.0-133.6 -85.8 146.1 41.4 27.3 47.8 177 179 A C 0 0 128 -2,-0.3 -5,-0.0 0, 0.0 -1,-0.0 -0.876 360.0 360.0-107.8 112.0 43.9 24.6 47.2 178 180 A L 0 0 155 -2,-0.7 -10,-0.0 -10,-0.1 0, 0.0 -0.547 360.0 360.0 -92.9 360.0 42.8 21.1 46.9