==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 17-AUG-06 2I3D . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN ATU1826; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM TUMEFACIENS STR.; . AUTHOR J.OSIPIUK,X.XU,H.ZHENG,A.SAVCHENKO,A.EDWARDS,A.JOACHIMIAK,MI . 438 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18472.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 299 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 62 14.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 2 0.5 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 . 25 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 120 27.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.4 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 0 1 5 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 4 2 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 PARALLEL BRIDGES PER LADDER . 0 0 0 2 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 2 A P 0 0 96 0, 0.0 15,-2.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -28.9 7.4 56.7 22.2 2 3 A E E +A 15 0A 104 13,-0.2 2,-0.3 11,-0.0 13,-0.2 -0.554 360.0 172.6 -71.5 123.8 11.0 55.8 21.1 3 4 A V E -A 14 0A 24 11,-2.3 11,-2.7 -2,-0.4 2,-0.4 -0.914 26.5-159.4-133.9 157.3 13.5 57.1 23.7 4 5 A I E +A 13 0A 111 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.994 20.5 168.8-133.9 130.9 17.2 56.9 24.5 5 6 A F E -A 12 0A 5 7,-2.5 7,-3.1 -2,-0.4 2,-0.5 -0.899 35.7 -94.7-136.1 168.9 18.5 57.6 27.9 6 7 A N E +A 11 0A 129 -2,-0.3 5,-0.2 5,-0.2 84,-0.1 -0.722 37.7 174.5 -96.8 128.9 21.9 57.1 29.7 7 8 A G E > -A 10 0A 14 3,-3.3 3,-1.5 -2,-0.5 76,-0.1 -0.677 50.9 -89.0-113.7 178.0 22.8 54.1 31.7 8 9 A P T 3 S+ 0 0 82 0, 0.0 3,-0.1 0, 0.0 64,-0.1 0.755 127.6 43.4 -58.7 -26.7 26.1 53.2 33.4 9 10 A A T 3 S- 0 0 37 1,-0.3 2,-0.3 62,-0.1 -3,-0.0 0.357 125.0 -90.4-100.7 3.6 27.3 51.3 30.2 10 11 A G E < S+A 7 0A 21 -3,-1.5 -3,-3.3 61,-0.1 -1,-0.3 -0.914 83.3 10.9 123.2-152.9 26.1 54.0 27.8 11 12 A R E -A 6 0A 122 -2,-0.3 60,-2.1 -5,-0.2 2,-0.4 -0.323 55.6-163.0 -66.8 139.1 22.9 54.6 25.8 12 13 A L E -A 5 0A 2 -7,-3.1 -7,-2.5 58,-0.2 2,-0.4 -0.996 11.0-143.8-121.1 132.8 19.8 52.5 26.7 13 14 A E E +A 4 0A 10 -2,-0.4 50,-2.7 50,-0.3 2,-0.3 -0.755 27.9 165.0 -98.1 141.7 17.0 52.4 24.3 14 15 A G E -AB 3 62A 0 -11,-2.7 -11,-2.3 -2,-0.4 2,-0.4 -0.846 37.6-125.2-144.2 174.0 13.4 52.3 25.4 15 16 A R E -AB 2 61A 37 46,-2.7 46,-2.3 -2,-0.3 2,-0.4 -0.996 35.2-171.6-128.4 126.0 9.7 52.7 24.6 16 17 A Y E - B 0 60A 37 -15,-2.4 44,-0.2 -2,-0.4 42,-0.0 -0.950 19.5-179.0-129.4 133.6 7.9 55.3 26.8 17 18 A Q E - B 0 59A 63 42,-2.3 42,-2.7 -2,-0.4 2,-0.1 -0.936 20.1-149.4-131.1 109.4 4.2 56.3 27.2 18 19 A P - 0 0 64 0, 0.0 2,-0.2 0, 0.0 40,-0.1 -0.494 25.1-109.8 -72.9 150.3 3.5 59.1 29.7 19 20 A S - 0 0 22 2,-0.2 39,-0.1 -2,-0.1 5,-0.1 -0.511 11.2-138.4 -74.2 145.9 0.2 59.0 31.5 20 21 A K S S+ 0 0 209 -2,-0.2 2,-0.2 37,-0.1 -1,-0.1 0.660 82.7 83.6 -74.4 -13.8 -2.3 61.6 30.6 21 22 A E S > S- 0 0 142 35,-0.3 3,-1.1 1,-0.1 2,-0.2 -0.610 86.6-105.4 -97.2 154.3 -3.0 61.9 34.4 22 23 A K T 3 S+ 0 0 177 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 -0.469 98.0 1.9 -76.6 138.5 -1.2 63.9 37.0 23 24 A S T 3 S+ 0 0 41 -2,-0.2 76,-0.5 1,-0.2 -1,-0.3 0.779 88.8 175.1 62.8 27.0 1.0 62.2 39.5 24 25 A A < - 0 0 10 -3,-1.1 -1,-0.2 74,-0.1 76,-0.1 -0.328 35.7-102.0 -66.6 148.9 0.2 58.8 37.8 25 26 A P - 0 0 35 0, 0.0 33,-2.6 0, 0.0 2,-0.4 -0.313 35.9-125.5 -67.3 156.2 2.1 55.7 39.1 26 27 A I E -cd 58 101A 0 74,-1.9 76,-2.5 31,-0.2 2,-0.4 -0.843 17.8-160.9-104.0 142.2 5.1 54.5 37.0 27 28 A A E -cd 59 102A 0 31,-2.6 33,-2.4 -2,-0.4 2,-0.4 -0.995 0.7-164.6-123.1 132.1 5.5 51.0 35.6 28 29 A I E -cd 60 103A 0 74,-2.0 76,-2.4 -2,-0.4 2,-0.5 -0.965 8.5-157.2-113.3 129.6 8.9 49.6 34.5 29 30 A I E -cd 61 104A 1 31,-2.4 33,-0.8 -2,-0.4 2,-0.4 -0.951 6.5-160.1-115.3 129.1 8.8 46.4 32.4 30 31 A L E - d 0 105A 0 74,-2.6 76,-2.2 -2,-0.5 79,-0.1 -0.890 8.2-141.5-119.8 134.6 11.9 44.1 32.3 31 32 A H - 0 0 0 31,-0.4 9,-0.1 -2,-0.4 7,-0.1 -0.352 21.9 -91.1 -98.7 168.2 12.7 41.5 29.6 32 33 A P - 0 0 2 0, 0.0 -1,-0.2 0, 0.0 75,-0.1 -0.104 51.5 -79.4 -69.8 172.2 14.2 38.0 29.5 33 34 A H > > - 0 0 37 1,-0.1 5,-2.0 4,-0.1 3,-1.8 -0.390 41.9-116.5 -64.7 146.7 17.9 37.0 29.0 34 35 A P G > 5S+ 0 0 52 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.750 112.5 72.3 -59.8 -20.0 19.0 37.1 25.4 35 36 A Q G 3 5S+ 0 0 99 1,-0.3 253,-0.4 2,-0.1 -2,-0.0 0.838 103.2 42.0 -63.1 -28.1 19.6 33.3 25.6 36 37 A F G < 5S- 0 0 52 -3,-1.8 -1,-0.3 251,-0.1 223,-0.1 -0.002 130.1 -98.4-103.2 28.0 15.7 33.0 25.6 37 38 A G T < 5 + 0 0 3 -3,-1.9 2,-0.2 1,-0.2 -2,-0.1 0.749 61.6 178.2 64.2 26.6 15.4 35.7 22.9 38 39 A G < + 0 0 2 -5,-2.0 2,-0.3 -7,-0.1 -1,-0.2 -0.431 13.2 140.0 -65.9 128.3 14.6 38.5 25.4 39 40 A T > - 0 0 12 -2,-0.2 3,-1.8 217,-0.1 6,-0.2 -0.946 65.9 -97.7-151.0 169.4 14.1 42.1 24.1 40 41 A X T 3 S+ 0 0 2 -2,-0.3 23,-0.1 1,-0.3 -2,-0.1 0.613 120.6 58.2 -65.2 -11.7 11.8 44.9 25.0 41 42 A N T 3 + 0 0 16 4,-0.1 -1,-0.3 5,-0.1 -3,-0.1 0.383 69.7 128.2-105.8 10.2 9.6 43.8 22.1 42 43 A N S <> S- 0 0 25 -3,-1.8 4,-2.9 1,-0.1 5,-0.3 -0.299 71.6-116.3 -54.8 142.0 8.9 40.2 23.1 43 44 A Q H > S+ 0 0 37 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.901 114.2 48.5 -57.1 -43.6 5.1 39.7 23.0 44 45 A I H > S+ 0 0 2 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.916 113.6 48.1 -63.9 -40.8 4.8 39.1 26.8 45 46 A V H > S+ 0 0 0 2,-0.2 4,-2.5 -6,-0.2 -2,-0.2 0.935 113.9 46.6 -62.2 -47.7 6.9 42.2 27.5 46 47 A Y H X S+ 0 0 40 -4,-2.9 4,-3.0 2,-0.2 -2,-0.2 0.929 111.8 50.6 -60.0 -45.3 4.9 44.3 25.1 47 48 A Q H X S+ 0 0 43 -4,-2.9 4,-2.5 -5,-0.3 -1,-0.2 0.888 109.9 50.2 -66.5 -35.2 1.6 43.0 26.5 48 49 A L H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.943 110.8 49.5 -61.7 -48.7 2.7 43.8 30.0 49 50 A F H X S+ 0 0 2 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.934 112.1 49.0 -53.1 -48.8 3.6 47.3 28.9 50 51 A Y H X S+ 0 0 82 -4,-3.0 4,-3.1 1,-0.2 5,-0.2 0.900 106.4 55.9 -62.4 -38.5 0.2 47.7 27.2 51 52 A L H X S+ 0 0 13 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.947 112.0 41.8 -59.0 -52.5 -1.7 46.5 30.4 52 53 A F H ><>S+ 0 0 0 -4,-2.1 5,-2.2 2,-0.2 3,-0.5 0.931 113.4 53.3 -62.4 -43.3 -0.1 49.2 32.5 53 54 A Q H ><5S+ 0 0 62 -4,-2.5 3,-2.0 1,-0.2 -2,-0.2 0.940 107.3 51.5 -54.8 -49.0 -0.5 51.9 29.8 54 55 A K H 3<5S+ 0 0 134 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.773 106.1 55.8 -66.5 -21.6 -4.2 51.1 29.5 55 56 A R T <<5S- 0 0 72 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.193 125.5 -98.9 -95.8 17.9 -4.7 51.4 33.3 56 57 A G T < 5S+ 0 0 33 -3,-2.0 -35,-0.3 1,-0.2 -3,-0.2 0.566 73.6 142.7 82.7 12.4 -3.2 54.9 33.3 57 58 A F < - 0 0 4 -5,-2.2 2,-0.6 -33,-0.1 -1,-0.2 -0.506 58.8-117.0 -77.7 153.0 0.4 54.3 34.3 58 59 A T E - c 0 26A 1 -33,-2.6 -31,-2.6 -2,-0.2 2,-0.4 -0.819 50.1-161.5 -78.2 125.4 3.4 56.2 33.0 59 60 A T E +Bc 17 27A 0 -42,-2.7 -42,-2.3 -2,-0.6 2,-0.4 -0.936 23.7 179.3-128.5 138.7 5.1 53.2 31.4 60 61 A L E +Bc 16 28A 0 -33,-2.4 -31,-2.4 -2,-0.4 2,-0.3 -0.997 4.4 176.5-136.7 127.2 8.6 52.3 30.2 61 62 A R E +Bc 15 29A 15 -46,-2.3 -46,-2.7 -2,-0.4 2,-0.3 -0.933 19.1 174.5-115.1 156.2 10.0 49.1 28.7 62 63 A F E -B 14 0A 2 -33,-0.8 2,-0.5 -2,-0.3 -31,-0.4 -0.990 33.9-103.4-157.7 159.5 13.7 49.1 27.6 63 64 A N - 0 0 6 -50,-2.7 -50,-0.3 -2,-0.3 3,-0.1 -0.732 38.3-124.4 -87.3 129.0 16.4 47.0 26.2 64 65 A F > - 0 0 1 -2,-0.5 3,-2.2 1,-0.2 6,-0.2 -0.227 53.5 -61.9 -61.7 163.0 19.1 45.9 28.7 65 66 A R T 3 S+ 0 0 26 1,-0.2 7,-0.2 14,-0.1 6,-0.2 -0.200 127.1 18.3 -47.6 134.3 22.8 46.7 27.9 66 67 A S T 3 S+ 0 0 48 4,-0.9 2,-0.4 5,-0.6 -1,-0.2 0.123 98.7 113.2 88.4 -18.3 23.9 45.0 24.6 67 68 A I S X S- 0 0 12 -3,-2.2 3,-2.4 4,-0.2 -54,-0.3 -0.736 89.3 -36.1 -89.3 131.4 20.3 44.3 23.4 68 69 A G T 3 S- 0 0 51 -2,-0.4 -2,-0.0 187,-0.4 188,-0.0 -0.388 130.2 -17.1 61.2-128.8 19.1 46.2 20.3 69 70 A R T 3 S+ 0 0 168 -2,-0.1 2,-0.4 2,-0.0 -1,-0.3 0.361 105.7 119.2 -88.2 1.6 20.6 49.7 20.3 70 71 A S < - 0 0 6 -3,-2.4 -4,-0.9 -6,-0.2 -58,-0.2 -0.599 61.8-133.3 -72.6 126.8 21.5 49.5 24.0 71 72 A Q + 0 0 73 -60,-2.1 -5,-0.6 -2,-0.4 -4,-0.2 -0.200 57.6 44.4 -74.1 168.8 25.3 49.9 24.3 72 73 A G S S- 0 0 42 -7,-0.2 2,-0.4 -6,-0.1 -62,-0.0 -0.349 84.5 -63.1 93.5-176.9 27.6 47.8 26.5 73 74 A E - 0 0 168 -2,-0.1 -7,-0.1 -8,-0.1 -8,-0.1 -0.930 46.0-112.6-115.3 133.4 28.0 44.1 27.2 74 75 A F - 0 0 46 -2,-0.4 2,-0.2 -10,-0.1 -8,-0.1 -0.343 39.6-172.7 -62.5 139.3 25.5 41.8 28.9 75 76 A D - 0 0 58 -10,-0.1 5,-0.1 2,-0.0 -1,-0.0 -0.752 41.3 -84.6-128.7-177.7 26.7 40.6 32.3 76 77 A H S S- 0 0 134 -2,-0.2 -2,-0.1 1,-0.1 0, 0.0 0.727 88.6 -67.8 -65.9 -18.5 25.4 38.1 34.9 77 78 A G S > S+ 0 0 0 34,-0.0 4,-2.6 35,-0.0 5,-0.2 0.039 114.3 88.8 160.8 -40.3 22.9 40.6 36.4 78 79 A A H > S+ 0 0 77 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.914 96.4 45.6 -53.5 -46.4 24.7 43.5 38.3 79 80 A G H > S+ 0 0 3 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.880 112.4 50.5 -63.3 -40.8 24.8 45.7 35.1 80 81 A E H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.893 108.6 51.6 -69.6 -35.8 21.2 44.9 34.2 81 82 A L H X S+ 0 0 13 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.925 110.4 49.8 -61.2 -45.5 20.1 45.8 37.7 82 83 A S H X S+ 0 0 42 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.900 109.5 51.7 -58.3 -40.0 22.0 49.1 37.3 83 84 A D H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.928 109.5 49.5 -60.9 -46.1 20.3 49.6 33.9 84 85 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.901 111.0 48.9 -62.1 -42.3 16.9 49.1 35.6 85 86 A A H X S+ 0 0 7 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.906 112.0 49.8 -64.9 -40.0 17.7 51.6 38.3 86 87 A S H X S+ 0 0 28 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.892 109.9 50.6 -61.2 -41.4 18.9 54.1 35.7 87 88 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.941 112.3 46.0 -64.4 -48.2 15.7 53.6 33.7 88 89 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.926 111.7 52.1 -60.8 -42.1 13.5 54.2 36.8 89 90 A D H X S+ 0 0 80 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.925 109.8 51.2 -57.9 -43.6 15.6 57.3 37.8 90 91 A W H X S+ 0 0 55 -4,-2.5 4,-1.3 2,-0.2 -2,-0.2 0.945 111.7 43.5 -61.8 -50.9 15.0 58.6 34.2 91 92 A V H >X S+ 0 0 0 -4,-2.5 4,-1.3 1,-0.2 3,-0.5 0.920 114.2 52.4 -63.5 -40.8 11.2 58.2 34.2 92 93 A Q H 3< S+ 0 0 45 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.834 103.0 57.9 -62.9 -32.8 11.1 59.6 37.8 93 94 A S H 3< S+ 0 0 81 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.855 111.8 42.2 -64.1 -31.4 13.1 62.6 36.6 94 95 A L H << S+ 0 0 85 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.642 124.8 35.9 -89.0 -19.3 10.3 63.3 34.0 95 96 A H >< + 0 0 42 -4,-1.3 3,-1.8 -5,-0.2 -1,-0.2 -0.574 67.8 165.2-134.2 67.0 7.5 62.5 36.5 96 97 A P T 3 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.661 74.1 54.9 -66.6 -16.5 8.7 63.9 39.9 97 98 A D T 3 S+ 0 0 115 -3,-0.1 2,-0.6 -73,-0.0 -5,-0.1 0.395 73.6 110.3-101.3 6.9 5.3 63.8 41.5 98 99 A S < - 0 0 17 -3,-1.8 -74,-0.1 -6,-0.2 -3,-0.1 -0.698 47.6-173.0 -71.8 124.4 4.6 60.1 40.8 99 100 A K + 0 0 161 -2,-0.6 2,-0.3 -76,-0.5 -1,-0.2 0.548 58.4 43.5 -99.5 -9.9 4.8 58.7 44.3 100 101 A S - 0 0 23 -77,-0.2 -74,-1.9 -76,-0.1 2,-0.3 -0.973 58.7-168.6-141.6 160.1 4.5 55.0 43.5 101 102 A C E -de 26 123A 0 21,-2.3 23,-2.0 -2,-0.3 24,-0.9 -0.941 9.0-154.8-141.6 152.1 5.8 52.5 41.1 102 103 A W E -de 27 125A 5 -76,-2.5 -74,-2.0 -2,-0.3 2,-0.4 -0.965 9.9-155.1-121.6 150.9 5.2 48.9 39.9 103 104 A V E -de 28 126A 2 22,-1.6 24,-1.9 -2,-0.3 2,-0.4 -0.981 8.4-174.0-122.8 138.0 7.8 46.6 38.3 104 105 A A E +de 29 127A 0 -76,-2.4 -74,-2.6 -2,-0.4 2,-0.4 -0.996 11.7 176.7-128.6 123.7 6.8 43.7 36.0 105 106 A G E -de 30 128A 1 22,-2.5 24,-2.9 -2,-0.4 2,-0.5 -0.973 20.2-145.9-133.5 148.2 9.5 41.4 34.8 106 107 A Y E > - e 0 129A 11 -76,-2.2 3,-2.0 -2,-0.4 24,-0.2 -0.954 63.3 -44.1-118.0 122.7 9.6 38.2 32.7 107 108 A S T >> S+ 0 0 0 22,-3.4 3,-1.5 -2,-0.5 4,-1.2 -0.381 139.7 8.8 64.1-123.4 12.1 35.4 33.3 108 109 A F H 3> S+ 0 0 0 1,-0.3 4,-2.4 2,-0.2 3,-0.4 0.884 131.1 61.1 -50.0 -39.0 15.6 37.0 34.0 109 110 A G H <> S+ 0 0 0 -3,-2.0 4,-2.7 1,-0.2 -1,-0.3 0.795 97.7 56.9 -60.7 -29.6 13.7 40.3 34.0 110 111 A A H <> S+ 0 0 0 -3,-1.5 4,-2.1 19,-0.3 -1,-0.2 0.850 107.1 48.8 -68.0 -37.7 11.6 39.0 37.1 111 112 A W H X S+ 0 0 18 -4,-1.2 4,-1.8 -3,-0.4 -2,-0.2 0.943 114.6 43.6 -66.1 -47.0 14.9 38.5 38.9 112 113 A I H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.933 113.4 53.9 -60.5 -44.5 16.2 42.0 38.1 113 114 A G H X S+ 0 0 2 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.893 108.1 47.6 -60.3 -42.1 12.7 43.4 38.9 114 115 A X H X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.851 110.2 53.3 -72.1 -28.0 12.6 41.8 42.4 115 116 A Q H X S+ 0 0 34 -4,-1.8 4,-1.2 2,-0.2 -1,-0.2 0.892 110.2 47.5 -67.9 -39.0 16.2 43.1 43.1 116 117 A L H >X S+ 0 0 0 -4,-2.2 4,-1.4 1,-0.2 3,-0.7 0.943 108.1 55.8 -66.6 -44.7 15.0 46.6 42.1 117 118 A L H >< S+ 0 0 3 -4,-2.8 3,-0.6 1,-0.3 6,-0.2 0.904 104.3 53.5 -49.1 -46.3 12.0 46.2 44.3 118 119 A X H 3< S+ 0 0 71 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.842 115.1 41.2 -61.7 -32.9 14.3 45.4 47.3 119 120 A R H << S+ 0 0 137 -4,-1.2 -1,-0.2 -3,-0.7 -2,-0.2 0.572 108.8 61.1 -89.8 -15.4 16.2 48.7 46.7 120 121 A R X< - 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