==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHAPERONE 08-SEP-08 3EFE . COMPND 2 MOLECULE: THIJ/PFPI FAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS; . AUTHOR R.ZHANG,X.XU,H.CUI,A.SAVCHENKO,A.EDWARDS,W.ANDERSON,A.JOACHI . 1250 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 48695.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 841 67.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 147 11.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 55 4.4 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 . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.5 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 . 68 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 150 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 347 27.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 1.7 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 12 3 6 1 2 5 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 6 6 15 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 0 PARALLEL BRIDGES PER LADDER . 2 7 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 3 0 0 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 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 T 0 0 147 0, 0.0 2,-0.2 0, 0.0 71,-0.0 0.000 360.0 360.0 360.0 128.8 73.8 -0.5 38.2 2 4 A K - 0 0 77 69,-0.1 2,-0.2 70,-0.0 70,-0.1 -0.608 360.0-156.3-106.8 152.8 76.3 -0.5 41.1 3 5 A K - 0 0 34 -2,-0.2 70,-1.4 34,-0.1 2,-0.4 -0.678 9.6-136.0-124.7 167.5 77.9 2.3 43.1 4 6 A A E -ab 39 73A 0 34,-1.1 36,-3.2 -2,-0.2 2,-0.4 -0.994 18.5-169.4-128.8 131.7 81.0 3.0 45.3 5 7 A F E -ab 40 74A 7 68,-2.7 70,-2.4 -2,-0.4 2,-0.5 -0.979 8.7-161.8-126.9 142.4 81.0 4.8 48.6 6 8 A L E -ab 41 75A 0 34,-2.4 36,-2.8 -2,-0.4 2,-0.5 -0.989 19.3-135.6-119.3 121.9 83.9 6.2 50.7 7 9 A Y E -a 42 0A 2 68,-2.4 2,-0.4 -2,-0.5 36,-0.2 -0.650 25.9-166.0 -72.7 119.6 83.3 7.0 54.4 8 10 A V E +a 43 0A 1 34,-1.7 36,-0.5 -2,-0.5 2,-0.3 -0.931 19.9 147.4-114.9 137.1 84.9 10.4 55.0 9 11 A F > - 0 0 9 -2,-0.4 3,-1.6 34,-0.1 2,-0.1 -0.959 54.6 -66.6-161.1 164.3 85.6 11.6 58.5 10 12 A N T 3 S+ 0 0 77 -2,-0.3 41,-0.2 1,-0.2 71,-0.2 -0.411 117.8 20.6 -63.5 131.9 88.1 13.7 60.4 11 13 A T T 3 S+ 0 0 31 39,-3.1 -1,-0.2 1,-0.3 40,-0.2 0.414 79.9 162.3 97.5 -2.0 91.5 12.0 60.7 12 14 A M < - 0 0 0 -3,-1.6 40,-3.0 38,-0.4 2,-0.8 -0.302 45.2-113.9 -63.9 143.2 91.0 9.8 57.8 13 15 A S > - 0 0 5 65,-2.2 3,-1.9 38,-0.2 4,-0.5 -0.687 22.8-155.9 -89.6 104.7 94.4 8.4 56.5 14 16 A D T 3> S+ 0 0 3 -2,-0.8 4,-0.6 1,-0.3 3,-0.5 0.743 85.8 52.9 -53.3 -38.7 95.1 9.7 53.1 15 17 A W T 34 S+ 0 0 13 633,-0.5 4,-0.4 1,-0.2 -1,-0.3 0.582 96.7 69.1 -76.0 -11.6 97.4 7.0 51.8 16 18 A E T <4 S+ 0 0 2 -3,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.821 112.3 21.8 -84.5 -30.5 95.1 4.1 52.6 17 19 A Y T > S+ 0 0 3 -4,-0.5 4,-3.0 -3,-0.5 5,-0.3 0.329 96.9 98.5-112.4 -3.3 92.3 4.7 50.1 18 20 A G H X S+ 0 0 0 -4,-0.6 4,-1.3 1,-0.2 627,-0.5 0.868 84.2 42.4 -70.1 -43.7 94.2 6.7 47.5 19 21 A Y H > S+ 0 0 10 -4,-0.4 4,-2.0 625,-0.2 -1,-0.2 0.925 117.4 49.8 -62.7 -48.2 95.1 4.1 45.0 20 22 A L H > S+ 0 0 1 1,-0.2 4,-1.9 2,-0.2 5,-0.3 0.949 110.0 46.3 -54.0 -56.9 91.6 2.5 45.2 21 23 A I H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 5,-0.2 0.865 113.6 50.3 -64.4 -32.4 89.5 5.6 44.8 22 24 A A H X S+ 0 0 0 -4,-1.3 4,-1.9 -5,-0.3 6,-0.4 0.920 110.9 47.7 -70.7 -46.7 91.6 6.9 41.8 23 25 A E H X S+ 0 0 2 -4,-2.0 4,-1.3 -5,-0.2 6,-0.4 0.867 119.0 40.5 -57.3 -38.9 91.4 3.7 39.9 24 26 A L H < S+ 0 0 0 -4,-1.9 13,-2.3 2,-0.2 -2,-0.2 0.909 115.5 46.8 -81.5 -43.1 87.7 3.4 40.5 25 27 A N H < S+ 0 0 29 -4,-2.5 -2,-0.2 -5,-0.3 -3,-0.2 0.813 118.5 41.2 -76.9 -28.4 86.7 6.9 39.9 26 28 A S H < S- 0 0 30 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.815 85.9-154.2 -80.5 -36.8 88.7 7.3 36.8 27 29 A G >< + 0 0 14 -4,-1.3 3,-1.6 -5,-0.3 -3,-0.1 0.623 42.5 146.3 70.1 16.3 87.9 3.9 35.3 28 30 A R T 3 + 0 0 67 -6,-0.4 -4,-0.1 1,-0.3 -5,-0.1 0.663 68.7 29.6 -70.7 -21.9 91.1 4.2 33.5 29 31 A Y T 3 S+ 0 0 18 -6,-0.4 151,-0.4 2,-0.0 -1,-0.3 0.127 91.8 125.9-118.5 15.9 92.2 0.5 33.4 30 32 A F S < S- 0 0 4 -3,-1.6 149,-0.3 -7,-0.2 148,-0.1 -0.411 76.1 -84.7 -69.8 149.3 88.8 -1.0 33.5 31 33 A K > - 0 0 43 147,-2.6 3,-1.6 1,-0.1 176,-0.2 -0.121 50.5-107.0 -39.8 149.6 87.7 -3.5 30.9 32 34 A K T 3 S+ 0 0 44 1,-0.3 -1,-0.1 174,-0.1 175,-0.1 0.735 115.3 56.8 -74.7 -18.9 86.5 -1.6 27.9 33 35 A D T 3 S+ 0 0 130 2,-0.1 2,-0.4 215,-0.0 -1,-0.3 0.442 92.1 88.3 -82.6 -1.5 82.8 -2.3 28.5 34 36 A L < - 0 0 66 -3,-1.6 -4,-0.1 144,-0.1 3,-0.1 -0.803 67.4-143.2-109.4 133.1 82.7 -0.9 32.0 35 37 A A - 0 0 63 -2,-0.4 -8,-0.1 1,-0.2 -4,-0.1 -0.518 44.0 -76.5 -84.9 162.8 82.1 2.7 32.8 36 38 A P - 0 0 54 0, 0.0 2,-0.9 0, 0.0 -11,-0.2 -0.260 41.5-127.8 -53.1 149.2 84.0 4.4 35.7 37 39 A L - 0 0 16 -13,-2.3 -10,-0.2 -14,-0.2 2,-0.1 -0.886 29.6-138.1-104.8 94.9 82.7 3.4 39.1 38 40 A K - 0 0 50 -2,-0.9 -34,-1.1 1154,-0.1 2,-0.9 -0.350 6.1-132.8 -66.6 134.0 82.2 6.8 40.6 39 41 A V E -a 4 0A 0 644,-0.2 2,-0.5 -18,-0.2 -34,-0.2 -0.752 18.8-161.1 -90.4 101.2 83.3 7.2 44.3 40 42 A I E -a 5 0A 0 -36,-3.2 -34,-2.4 -2,-0.9 2,-0.4 -0.780 15.1-135.3 -85.5 123.3 80.5 8.9 46.3 41 43 A T E -a 6 0A 0 -2,-0.5 20,-2.3 -36,-0.2 19,-0.7 -0.745 20.4-166.5 -81.5 129.8 81.8 10.4 49.6 42 44 A V E -ac 7 61A 1 -36,-2.8 -34,-1.7 -2,-0.4 20,-0.2 -0.972 3.8-171.3-123.2 109.9 79.6 9.6 52.5 43 45 A G E -ac 8 62A 1 18,-2.6 20,-1.3 -2,-0.5 -34,-0.1 -0.574 38.9-111.5 -93.6 166.8 80.0 11.5 55.8 44 46 A A S S- 0 0 33 -36,-0.5 20,-0.3 18,-0.2 2,-0.2 0.823 108.4 -5.7 -60.5 -37.6 78.3 10.9 59.3 45 47 A N S S- 0 0 73 2,-0.2 -2,-0.2 17,-0.1 16,-0.1 -0.655 94.6 -87.4-136.9-168.0 76.6 14.2 58.6 46 48 A K S S+ 0 0 101 -2,-0.2 2,-0.2 16,-0.1 16,-0.1 0.111 82.3 123.8 -99.8 19.6 77.1 16.7 55.7 47 49 A E - 0 0 135 1,-0.1 -2,-0.2 11,-0.1 -3,-0.1 -0.568 69.6 -97.9 -86.2 145.3 79.9 18.6 57.4 48 50 A M - 0 0 46 -2,-0.2 2,-0.3 10,-0.1 10,-0.2 -0.293 40.9-158.9 -57.4 134.2 83.4 19.3 56.1 49 51 A I E -G 57 0B 12 8,-2.2 8,-2.5 -40,-0.1 2,-0.4 -0.837 10.3-136.5-116.7 154.8 86.0 16.9 57.4 50 52 A T E -G 56 0B 47 -2,-0.3 -39,-3.1 6,-0.2 -38,-0.4 -0.977 18.5-139.5-111.8 126.7 89.8 17.3 57.6 51 53 A T > - 0 0 3 4,-2.0 3,-1.5 -2,-0.4 -38,-0.2 -0.234 34.0-100.4 -72.5 164.1 92.1 14.3 56.5 52 54 A M T 3 S+ 0 0 19 -40,-3.0 -39,-0.1 1,-0.2 -1,-0.1 0.867 128.8 54.3 -51.3 -38.9 95.2 13.4 58.5 53 55 A G T 3 S- 0 0 0 -41,-0.5 -1,-0.2 602,-0.1 616,-0.1 0.510 124.5-105.2 -78.5 -5.6 97.0 15.2 55.7 54 56 A G < + 0 0 7 -3,-1.5 2,-0.3 1,-0.3 617,-0.2 0.417 66.1 150.3 105.2 2.3 94.9 18.3 56.2 55 57 A L - 0 0 1 1,-0.1 -4,-2.0 615,-0.1 2,-0.8 -0.544 41.0-139.8 -73.5 130.7 92.6 18.1 53.2 56 58 A R E -G 50 0B 84 632,-0.4 632,-2.0 -2,-0.3 2,-0.3 -0.777 25.9-170.7 -91.8 106.6 89.2 19.7 53.7 57 59 A I E -GH 49 687B 0 -8,-2.5 -8,-2.2 -2,-0.8 630,-0.2 -0.755 18.8-145.1-108.5 140.5 86.7 17.5 52.1 58 60 A K - 0 0 87 628,-2.0 628,-0.4 -2,-0.3 -17,-0.2 -0.904 27.9-125.5-105.8 109.0 83.0 18.2 51.5 59 61 A P - 0 0 5 0, 0.0 -17,-0.2 0, 0.0 3,-0.1 -0.238 7.3-145.3 -54.8 139.0 81.0 15.0 51.9 60 62 A D S S+ 0 0 41 -19,-0.7 2,-0.3 1,-0.2 -18,-0.2 0.963 80.2 2.1 -65.4 -50.0 78.8 14.2 48.9 61 63 A I E S-c 42 0A 2 -20,-2.3 -18,-2.6 -16,-0.1 2,-0.2 -0.869 72.3-116.0-134.8 159.3 76.1 12.7 51.0 62 64 A S E > -c 43 0A 16 -2,-0.3 3,-0.9 -20,-0.2 4,-0.3 -0.586 39.6-107.3 -85.9 159.2 75.2 12.1 54.7 63 65 A L G > S+ 0 0 6 -20,-1.3 3,-1.2 1,-0.2 -19,-0.1 0.827 120.3 59.1 -55.8 -35.7 74.9 8.5 55.9 64 66 A D G 3 S+ 0 0 144 1,-0.3 -1,-0.2 -20,-0.3 -20,-0.1 0.760 103.9 50.5 -68.8 -24.1 71.1 9.0 56.1 65 67 A E G < S+ 0 0 52 -3,-0.9 2,-0.4 2,-0.0 -1,-0.3 0.476 94.9 98.2 -83.5 -6.9 71.0 9.8 52.4 66 68 A C < - 0 0 6 -3,-1.2 2,-0.5 -4,-0.3 -61,-0.0 -0.718 52.7-168.9 -96.7 129.0 73.0 6.7 51.6 67 69 A T - 0 0 96 -2,-0.4 2,-0.5 2,-0.0 -3,-0.0 -0.977 9.8-156.9-112.2 117.5 71.4 3.5 50.5 68 70 A L - 0 0 14 -2,-0.5 2,-0.2 4,-0.1 34,-0.1 -0.844 17.4-179.4 -98.1 122.7 73.7 0.4 50.5 69 71 A E > - 0 0 79 -2,-0.5 3,-1.6 1,-0.1 2,-0.1 -0.529 39.0 -65.9-116.5 176.0 72.7 -2.4 48.2 70 72 A S T 3 S+ 0 0 70 1,-0.3 32,-0.3 -2,-0.2 31,-0.2 -0.413 121.4 9.5 -65.1 135.2 74.0 -5.8 47.2 71 73 A K T 3 S+ 0 0 138 30,-2.1 -1,-0.3 1,-0.2 31,-0.2 0.400 95.6 128.4 68.6 1.2 77.4 -5.6 45.3 72 74 A D < - 0 0 3 -3,-1.6 31,-3.2 -70,-0.1 2,-0.4 -0.266 58.0-123.7 -62.8 167.0 77.7 -1.9 46.1 73 75 A L E -bd 4 103A 0 -70,-1.4 -68,-2.7 29,-0.2 2,-0.4 -0.990 23.3-172.2-124.0 130.5 81.1 -1.0 47.7 74 76 A L E -bd 5 104A 2 29,-2.9 31,-2.7 -2,-0.4 2,-0.5 -0.995 10.0-160.1-118.2 126.3 81.7 0.7 50.9 75 77 A I E -bd 6 105A 0 -70,-2.4 -68,-2.4 -2,-0.4 31,-0.2 -0.939 3.5-166.9-109.2 125.1 85.4 1.7 51.7 76 78 A L E - d 0 106A 0 29,-4.2 31,-2.2 -2,-0.5 34,-0.2 -0.892 10.8-159.0-116.8 101.6 86.2 2.4 55.3 77 79 A P - 0 0 0 0, 0.0 2,-0.1 0, 0.0 -63,-0.1 -0.218 20.4-102.0 -71.9 164.8 89.5 4.0 55.8 78 80 A G + 0 0 0 -65,-0.3 -65,-2.2 31,-0.1 2,-0.3 -0.364 47.4 150.0 -77.3 163.4 91.7 4.1 58.9 79 81 A G - 0 0 15 -67,-0.2 3,-0.3 -2,-0.1 -67,-0.1 -0.948 54.4-100.0-178.6 178.7 91.9 7.1 61.2 80 82 A T S S+ 0 0 112 -2,-0.3 3,-0.1 1,-0.2 -69,-0.1 0.185 106.2 63.5-102.6 23.0 92.6 8.0 64.9 81 83 A T > + 0 0 13 -71,-0.2 3,-1.5 1,-0.1 6,-0.2 0.238 56.6 118.6-136.7 1.9 88.9 8.5 65.8 82 84 A W T 3 S+ 0 0 18 -3,-0.3 -1,-0.1 1,-0.3 -2,-0.1 0.591 72.8 56.0 -69.5 -14.2 87.1 5.1 65.5 83 85 A S T 3 S+ 0 0 113 -3,-0.1 -1,-0.3 3,-0.0 -2,-0.1 0.687 84.6 107.5 -89.7 -18.1 86.0 4.6 69.1 84 86 A E S X S- 0 0 108 -3,-1.5 3,-0.8 1,-0.1 4,-0.1 -0.185 79.5-121.3 -54.3 152.6 84.2 8.0 69.1 85 87 A E G > S+ 0 0 140 1,-0.2 3,-2.5 2,-0.2 -1,-0.1 0.763 99.6 82.3 -76.3 -29.5 80.4 7.8 69.0 86 88 A I G 3 S+ 0 0 84 1,-0.3 4,-0.3 2,-0.1 -1,-0.2 0.823 95.5 50.0 -41.2 -35.3 80.0 9.9 65.8 87 89 A H G <> S+ 0 0 1 -3,-0.8 4,-2.7 -6,-0.2 -1,-0.3 0.429 79.5 93.4 -89.2 -10.3 80.7 6.5 64.0 88 90 A Q H <> S+ 0 0 47 -3,-2.5 4,-2.3 1,-0.2 5,-0.2 0.882 84.0 55.9 -55.1 -41.5 78.2 4.2 65.8 89 91 A P H > S+ 0 0 66 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.948 111.6 40.9 -54.9 -47.3 75.6 4.9 63.1 90 92 A I H > S+ 0 0 2 -4,-0.3 4,-2.0 1,-0.2 5,-0.2 0.948 112.8 56.4 -66.7 -45.8 77.9 3.7 60.2 91 93 A L H < S+ 0 0 2 -4,-2.7 4,-0.4 1,-0.2 -1,-0.2 0.819 108.9 46.3 -54.3 -37.2 79.1 0.9 62.4 92 94 A E H >X S+ 0 0 119 -4,-2.3 4,-0.8 1,-0.2 3,-0.8 0.870 113.1 49.9 -69.0 -42.4 75.4 -0.3 62.8 93 95 A R H 3X S+ 0 0 45 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.700 97.4 67.1 -69.0 -23.2 74.8 0.0 59.1 94 96 A I H 3X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.801 96.8 59.8 -64.5 -27.2 77.9 -2.0 58.3 95 97 A G H <> S+ 0 0 15 -3,-0.8 4,-1.0 -4,-0.4 -2,-0.2 0.917 110.4 35.5 -67.4 -47.6 76.0 -4.9 59.8 96 98 A Q H X S+ 0 0 113 -4,-0.8 4,-3.6 2,-0.2 5,-0.2 0.864 112.4 61.1 -75.6 -34.9 73.1 -4.9 57.4 97 99 A A H X>S+ 0 0 2 -4,-2.2 5,-2.6 1,-0.2 4,-1.2 0.924 106.9 46.2 -52.6 -48.5 75.3 -3.9 54.5 98 100 A L H <5S+ 0 0 14 -4,-2.0 -1,-0.2 3,-0.2 -2,-0.2 0.835 113.9 50.1 -62.7 -33.0 77.2 -7.1 55.0 99 101 A K H <5S+ 0 0 171 -4,-1.0 -2,-0.2 1,-0.2 -1,-0.2 0.932 109.4 48.7 -70.5 -45.5 73.9 -8.9 55.3 100 102 A I H <5S- 0 0 98 -4,-3.6 -2,-0.2 1,-0.1 -1,-0.2 0.705 122.9-106.0 -68.3 -19.2 72.5 -7.4 52.1 101 103 A G T <5 + 0 0 20 -4,-1.2 -30,-2.1 1,-0.3 -3,-0.2 0.558 62.6 157.0 102.6 15.2 75.8 -8.4 50.3 102 104 A T < - 0 0 0 -5,-2.6 2,-0.7 -32,-0.3 -1,-0.3 -0.434 49.0-114.6 -66.3 146.9 77.4 -5.0 49.9 103 105 A I E -d 73 0A 11 -31,-3.2 -29,-2.9 54,-0.1 2,-0.5 -0.808 34.2-162.9 -84.2 116.2 81.2 -5.3 49.5 104 106 A V E -de 74 157A 0 52,-2.9 54,-2.9 -2,-0.7 2,-0.5 -0.931 5.9-167.9-111.4 131.2 82.8 -3.7 52.6 105 107 A A E -de 75 158A 0 -31,-2.7 -29,-4.2 -2,-0.5 2,-0.4 -0.968 7.8-179.0-125.9 110.7 86.4 -2.8 52.5 106 108 A A E -de 76 159A 0 52,-3.2 54,-1.4 -2,-0.5 2,-0.4 -0.950 2.7-175.1-122.8 133.0 88.1 -1.9 55.8 107 109 A I E > - e 0 160A 0 -31,-2.2 3,-1.8 -2,-0.4 54,-0.2 -0.956 50.2 -31.5-129.0 140.7 91.7 -0.8 56.3 108 110 A C T >> S+ 0 0 20 52,-2.6 3,-1.8 -2,-0.4 4,-0.7 -0.239 129.8 9.2 66.6-133.8 93.7 -0.1 59.4 109 111 A G H 3> S+ 0 0 14 1,-0.3 4,-1.8 2,-0.2 3,-0.4 0.773 123.3 67.3 -52.0 -32.2 91.8 1.4 62.4 110 112 A A H <> S+ 0 0 0 -3,-1.8 4,-1.8 1,-0.2 -1,-0.3 0.846 94.3 59.4 -57.6 -34.4 88.5 0.6 60.5 111 113 A T H <> S+ 0 0 0 -3,-1.8 4,-1.2 49,-0.2 -1,-0.2 0.886 105.1 47.1 -56.2 -45.4 89.5 -3.1 61.0 112 114 A D H X S+ 0 0 20 -4,-0.7 4,-1.8 -3,-0.4 -2,-0.2 0.834 107.3 56.7 -69.2 -37.3 89.5 -2.6 64.8 113 115 A A H X S+ 0 0 9 -4,-1.8 4,-0.9 2,-0.2 -2,-0.2 0.906 110.0 45.3 -56.4 -43.9 86.1 -0.8 64.7 114 116 A L H <>S+ 0 0 0 -4,-1.8 5,-1.5 1,-0.2 6,-0.8 0.790 110.6 55.7 -70.4 -28.4 84.6 -3.8 62.9 115 117 A A H ><5S+ 0 0 0 -4,-1.2 3,-1.0 4,-0.2 26,-0.2 0.875 104.9 51.2 -68.6 -38.6 86.4 -6.1 65.5 116 118 A N H 3<5S+ 0 0 55 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.665 107.8 51.6 -84.0 -14.7 84.7 -4.3 68.4 117 119 A M T 3<5S- 0 0 54 -4,-0.9 -1,-0.3 -5,-0.1 -2,-0.2 0.292 116.0-117.5 -88.3 -1.6 81.2 -4.7 66.8 118 120 A G T X 5S+ 0 0 19 -3,-1.0 3,-1.4 -5,-0.1 4,-0.3 0.532 78.8 128.3 80.1 7.0 82.0 -8.4 66.5 119 121 A Y T 3 - 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