==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 29-OCT-08 3F2G . COMPND 2 MOLECULE: ALKYLMERCURY LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.LAFRANCE-VANASSE,M.LEFEBVRE,P.DI LELLO,J.SYGUSCH, . 413 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17842.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 294 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 81 19.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.7 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 . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 22 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 129 31.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.7 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 2 0 0 0 2 2 2 2 4 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 5 6 5 3 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 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 1 A M > 0 0 145 0, 0.0 3,-1.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 107.2 34.0 7.6 32.4 2 2 A K T 3 + 0 0 195 1,-0.3 4,-0.1 2,-0.1 0, 0.0 0.391 360.0 64.5 -79.0 4.6 32.2 9.9 29.9 3 3 A L T >> S+ 0 0 32 1,-0.1 4,-1.9 2,-0.1 3,-0.8 0.323 71.6 104.3-101.0 4.8 32.3 7.0 27.4 4 4 A A H <> S+ 0 0 33 -3,-1.6 4,-2.9 1,-0.2 5,-0.2 0.838 71.1 59.4 -55.3 -37.1 30.0 5.0 29.6 5 5 A P H 3> S+ 0 0 68 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.901 107.9 46.3 -62.3 -34.5 26.9 5.6 27.5 6 6 A Y H <> S+ 0 0 29 -3,-0.8 4,-2.2 2,-0.2 -2,-0.2 0.894 113.7 47.8 -69.7 -41.5 28.6 4.0 24.6 7 7 A I H X S+ 0 0 8 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.930 111.8 50.3 -64.3 -46.9 29.8 1.0 26.7 8 8 A L H X S+ 0 0 106 -4,-2.9 4,-1.5 1,-0.2 -2,-0.2 0.948 113.9 43.9 -56.8 -49.3 26.3 0.6 28.2 9 9 A E H X S+ 0 0 36 -4,-2.0 4,-1.3 -5,-0.2 -1,-0.2 0.852 112.4 53.0 -69.4 -34.7 24.6 0.6 24.8 10 10 A L H < S+ 0 0 21 -4,-2.2 4,-0.3 1,-0.2 3,-0.2 0.920 111.6 45.1 -60.0 -47.8 27.3 -1.7 23.3 11 11 A L H >X S+ 0 0 19 -4,-2.5 4,-3.1 1,-0.2 3,-0.8 0.770 106.6 62.2 -68.9 -25.6 26.8 -4.3 26.0 12 12 A T H 3X S+ 0 0 36 -4,-1.5 4,-1.2 1,-0.3 -1,-0.2 0.870 96.6 57.4 -67.7 -37.0 23.1 -3.9 25.6 13 13 A S H 3< S+ 0 0 44 -4,-1.3 -1,-0.3 -3,-0.2 4,-0.2 0.652 117.8 35.1 -66.5 -14.8 23.3 -5.2 22.1 14 14 A V H <4 S+ 0 0 16 -3,-0.8 7,-0.5 -4,-0.3 6,-0.2 0.814 111.4 54.4-105.2 -46.8 24.9 -8.3 23.5 15 15 A N H < S+ 0 0 84 -4,-3.1 -3,-0.2 1,-0.2 -2,-0.1 0.688 92.4 75.0 -67.3 -20.5 23.2 -9.0 26.9 16 16 A R S < S+ 0 0 134 -4,-1.2 2,-0.6 -5,-0.2 -1,-0.2 0.971 87.2 56.6 -65.0 -58.3 19.7 -9.0 25.6 17 17 A T S > S- 0 0 29 -4,-0.2 3,-1.5 -3,-0.2 4,-0.5 -0.657 93.4-129.9 -74.0 119.4 19.6 -12.4 23.8 18 18 A N T 3 S+ 0 0 143 -2,-0.6 4,-0.3 1,-0.3 3,-0.2 0.751 98.7 36.1 -44.2 -40.4 20.6 -14.8 26.7 19 19 A G T >> S+ 0 0 3 1,-0.2 4,-1.6 2,-0.1 3,-0.6 0.640 87.1 94.5 -92.3 -14.2 23.3 -16.6 24.8 20 20 A T H <> S+ 0 0 10 -3,-1.5 4,-2.0 1,-0.3 3,-0.3 0.840 85.0 50.7 -50.1 -47.2 24.9 -13.9 22.6 21 21 A A H 3> S+ 0 0 5 -4,-0.5 4,-0.9 -7,-0.5 -1,-0.3 0.899 113.0 45.5 -59.3 -43.1 27.7 -13.1 25.1 22 22 A D H <4 S+ 0 0 20 -3,-0.6 -1,-0.2 -4,-0.3 -2,-0.2 0.721 114.0 49.5 -76.3 -19.2 28.8 -16.7 25.5 23 23 A L H X S+ 0 0 0 -4,-1.6 4,-2.2 -3,-0.3 -1,-0.2 0.810 98.7 70.9 -84.2 -30.2 28.6 -17.3 21.8 24 24 A L H X S+ 0 0 19 -4,-2.0 4,-2.6 -5,-0.2 5,-0.2 0.915 97.6 41.9 -56.2 -59.7 30.7 -14.3 20.9 25 25 A V H X S+ 0 0 13 -4,-0.9 4,-2.5 1,-0.2 5,-0.2 0.921 114.7 49.8 -61.8 -46.9 34.2 -15.2 22.0 26 26 A P H > S+ 0 0 29 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.921 113.1 48.5 -58.7 -40.2 34.1 -18.8 20.8 27 27 A L H X S+ 0 0 0 -4,-2.2 4,-3.3 2,-0.2 5,-0.2 0.923 111.7 47.4 -65.4 -45.3 32.9 -17.6 17.4 28 28 A L H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.893 110.0 54.1 -59.2 -42.0 35.6 -14.9 17.0 29 29 A R H < S+ 0 0 132 -4,-2.5 -1,-0.2 -5,-0.2 4,-0.2 0.885 113.7 42.3 -64.4 -37.2 38.2 -17.4 18.1 30 30 A E H ><>S+ 0 0 37 -4,-1.8 3,-3.0 -5,-0.2 5,-0.5 0.958 111.7 51.5 -71.1 -54.5 37.1 -19.7 15.3 31 31 A L H ><5S+ 0 0 0 -4,-3.3 3,-2.0 1,-0.3 -2,-0.2 0.837 100.4 67.4 -50.9 -31.4 36.6 -17.1 12.7 32 32 A A T 3<5S+ 0 0 30 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.671 84.8 69.3 -66.6 -17.2 40.2 -16.0 13.6 33 33 A K T < 5S- 0 0 120 -3,-3.0 -1,-0.3 -4,-0.2 -2,-0.2 0.684 114.0-120.0 -68.7 -19.0 41.4 -19.4 12.1 34 34 A G T < 5S+ 0 0 31 -3,-2.0 -2,-0.1 -4,-0.5 -3,-0.1 0.631 74.5 102.3 91.3 17.2 40.4 -17.9 8.8 35 35 A R S - 0 0 26 -2,-0.5 4,-2.4 32,-0.2 5,-0.2 -0.415 22.7-118.7 -83.5 159.1 29.2 -24.2 10.6 39 39 A R H > S+ 0 0 79 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.865 116.7 51.2 -62.2 -34.7 26.3 -24.0 13.1 40 40 A T H > S+ 0 0 107 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.854 108.7 49.2 -72.9 -34.3 27.1 -27.6 14.1 41 41 A T H > S+ 0 0 65 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.936 113.8 46.9 -65.1 -45.6 30.8 -26.9 14.7 42 42 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 5,-0.2 0.949 110.5 52.5 -59.0 -49.3 29.9 -23.8 16.8 43 43 A A H X>S+ 0 0 9 -4,-2.5 5,-2.2 1,-0.2 4,-1.0 0.876 109.5 50.0 -56.7 -39.3 27.3 -25.9 18.7 44 44 A G H <5S+ 0 0 59 -4,-2.0 -1,-0.2 1,-0.2 3,-0.2 0.898 110.1 49.4 -64.9 -43.0 30.0 -28.5 19.4 45 45 A I H <5S+ 0 0 77 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.836 118.8 38.7 -65.1 -34.5 32.4 -25.9 20.7 46 46 A L H <5S- 0 0 25 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.525 103.6-128.3 -91.7 -9.4 29.7 -24.3 23.0 47 47 A D T <5 + 0 0 147 -4,-1.0 -3,-0.2 -5,-0.2 -4,-0.1 0.928 64.1 137.3 54.7 45.8 28.2 -27.6 24.0 48 48 A W < - 0 0 33 -5,-2.2 -1,-0.2 -6,-0.2 2,-0.2 -0.768 62.0-104.2-111.0 161.9 24.8 -26.2 23.0 49 49 A P >> - 0 0 77 0, 0.0 4,-1.8 0, 0.0 3,-0.5 -0.592 35.5-117.2 -75.8 152.5 21.9 -27.7 21.1 50 50 A A H 3> S+ 0 0 49 1,-0.2 4,-2.7 -2,-0.2 5,-0.2 0.810 112.5 62.7 -63.4 -32.1 21.7 -26.4 17.5 51 51 A E H 3> S+ 0 0 139 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.896 105.3 46.5 -60.9 -41.7 18.3 -24.9 18.1 52 52 A R H <> S+ 0 0 89 -3,-0.5 4,-1.9 2,-0.2 -2,-0.2 0.926 110.8 51.7 -64.9 -47.4 19.9 -22.6 20.7 53 53 A V H X S+ 0 0 0 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.925 111.3 48.3 -54.2 -44.3 22.8 -21.7 18.4 54 54 A A H X S+ 0 0 22 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.852 106.5 57.4 -68.3 -34.4 20.4 -20.8 15.7 55 55 A A H X S+ 0 0 43 -4,-1.7 4,-0.9 2,-0.2 -1,-0.2 0.941 108.1 45.2 -59.5 -50.4 18.3 -18.7 18.0 56 56 A V H >X S+ 0 0 4 -4,-1.9 4,-0.9 1,-0.2 3,-0.9 0.929 113.2 50.0 -62.3 -46.9 21.2 -16.4 19.0 57 57 A L H >< S+ 0 0 6 -4,-1.9 3,-0.6 1,-0.2 6,-0.3 0.864 101.6 62.6 -61.3 -38.8 22.3 -16.0 15.4 58 58 A E H 3< S+ 0 0 108 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.801 101.5 52.8 -57.3 -30.1 18.8 -15.1 14.2 59 59 A Q H << S+ 0 0 110 -4,-0.9 2,-1.4 -3,-0.9 -1,-0.2 0.813 95.3 73.7 -73.4 -30.9 19.0 -12.0 16.4 60 60 A A X< + 0 0 23 -4,-0.9 3,-1.6 -3,-0.6 -1,-0.2 -0.642 62.2 175.2 -87.3 85.0 22.3 -11.0 14.8 61 61 A T T 3 S+ 0 0 84 -2,-1.4 -1,-0.2 1,-0.3 90,-0.1 0.652 71.6 61.4 -71.7 -16.7 21.0 -9.8 11.5 62 62 A S T 3 S+ 0 0 2 -3,-0.1 -1,-0.3 2,-0.1 13,-0.1 0.580 72.2 129.5 -86.3 -8.0 24.3 -8.6 10.2 63 63 A T < - 0 0 8 -3,-1.6 2,-0.4 -6,-0.3 11,-0.2 -0.169 53.3-138.5 -51.2 134.2 25.9 -12.0 10.4 64 64 A E E -B 73 0A 6 9,-2.6 8,-2.9 207,-0.0 9,-1.7 -0.831 19.8-168.7-100.2 136.9 27.6 -12.8 7.1 65 65 A Y E -BC 71 272A 26 207,-0.8 207,-0.8 -2,-0.4 6,-0.2 -0.932 13.3-132.3-126.5 148.9 27.2 -16.4 5.6 66 66 A D > - 0 0 25 4,-2.6 3,-2.6 -2,-0.3 210,-0.1 -0.232 46.8 -78.8 -89.0-176.0 29.0 -18.1 2.7 67 67 A K T 3 S+ 0 0 84 1,-0.3 206,-0.1 2,-0.1 -1,-0.0 0.710 133.7 46.2 -60.0 -23.1 27.5 -20.1 -0.1 68 68 A D T 3 S- 0 0 89 2,-0.1 -1,-0.3 204,-0.1 3,-0.1 0.361 120.8-106.4 -97.4 1.9 27.0 -23.1 2.1 69 69 A G S < S+ 0 0 13 -3,-2.6 2,-0.2 1,-0.3 -30,-0.2 0.648 70.7 147.2 81.2 12.8 25.6 -21.0 4.9 70 70 A N - 0 0 37 -32,-0.1 -4,-2.6 1,-0.1 2,-0.3 -0.561 58.8-103.3 -70.7 147.2 28.7 -21.3 7.0 71 71 A I E +AB 37 65A 2 -34,-3.1 -34,-2.3 -6,-0.2 -6,-0.3 -0.593 49.2 162.0 -72.8 131.2 29.3 -18.2 9.1 72 72 A I E + 0 0 25 -8,-2.9 6,-2.2 -2,-0.3 2,-0.4 0.486 60.7 42.0-124.6 -7.6 32.0 -16.0 7.6 73 73 A G E +DB 77 64A 0 -9,-1.7 -9,-2.6 4,-0.2 -1,-0.3 -0.962 44.2 140.4-147.9 124.8 31.4 -12.6 9.3 74 74 A Y S S- 0 0 27 2,-2.8 2,-2.1 -2,-0.4 -11,-0.1 -0.532 95.7 -49.8-155.6 80.1 30.5 -11.6 12.8 75 75 A G S S+ 0 0 8 -13,-0.1 18,-2.2 -2,-0.1 2,-0.4 -0.391 143.5 57.6 80.5 -59.1 32.4 -8.4 13.7 76 76 A L E S- E 0 92A 0 -2,-2.1 -2,-2.8 16,-0.2 2,-0.3 -0.821 83.6-177.1 -95.9 139.7 35.5 -10.2 12.4 77 77 A T E -DE 73 91A 0 14,-3.1 14,-2.2 -2,-0.4 -4,-0.2 -0.982 43.2-145.9-147.6 153.5 35.0 -11.4 8.8 78 78 A L S S+ 0 0 45 -6,-2.2 2,-0.4 -2,-0.3 -5,-0.1 0.604 83.3 88.4 -88.2 -14.9 36.6 -13.2 6.0 79 79 A R S S- 0 0 31 -7,-0.3 -2,-0.1 1,-0.1 190,-0.0 -0.731 92.3 -96.5 -94.0 130.4 35.0 -10.8 3.5 80 80 A E + 0 0 68 -2,-0.4 2,-0.3 2,-0.1 -1,-0.1 -0.024 51.1 159.4 -50.8 136.5 37.0 -7.7 2.6 81 81 A T - 0 0 9 -4,-0.1 12,-0.1 9,-0.1 13,-0.1 -0.822 56.9 -90.2-138.5-176.8 36.2 -4.4 4.4 82 82 A S S S+ 0 0 56 -2,-0.3 2,-0.7 11,-0.1 32,-0.3 0.566 108.5 75.1 -71.2 -11.0 38.0 -1.1 5.0 83 83 A Y E -F 92 0A 16 9,-0.6 9,-2.2 30,-0.1 2,-0.3 -0.874 68.7-160.8-115.1 102.7 39.5 -2.5 8.2 84 84 A V E -FG 91 112A 13 28,-2.6 28,-1.9 -2,-0.7 2,-0.5 -0.640 7.2-174.5 -85.5 135.1 42.3 -4.9 7.7 85 85 A F E -FG 90 111A 0 5,-2.8 5,-1.9 -2,-0.3 2,-0.5 -0.890 6.3-170.9-136.6 93.0 43.1 -7.1 10.7 86 86 A E E G 0 110A 76 24,-2.9 24,-2.8 -2,-0.5 -2,-0.0 -0.809 360.0 360.0 -99.8 127.7 46.1 -9.3 10.3 87 87 A I 0 0 70 -2,-0.5 22,-0.1 22,-0.2 -2,-0.0 -0.985 360.0 360.0-123.1 360.0 47.1 -12.1 12.7 88 ! 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 89 91 A R 0 0 168 0, 0.0 -3,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 96.4 44.7 -11.4 6.5 90 92 A L E - F 0 85A 17 -5,-1.9 -5,-2.8 -58,-0.0 2,-0.3 -0.486 360.0-132.7-107.6-175.6 41.2 -11.0 8.0 91 93 A Y E -EF 77 84A 22 -14,-2.2 -14,-3.1 -7,-0.2 2,-0.3 -0.922 5.9-145.0-138.8 159.8 38.9 -7.9 8.2 92 94 A A E -EF 76 83A 0 -9,-2.2 -9,-0.6 -2,-0.3 -16,-0.2 -0.915 21.8-125.4-125.9 159.2 36.7 -6.2 10.8 93 95 A W S S- 0 0 22 -18,-2.2 2,-0.3 -2,-0.3 67,-0.1 0.757 86.7 -4.1 -74.2 -26.4 33.4 -4.4 10.5 94 96 A C S > S- 0 0 0 -19,-0.2 4,-1.2 1,-0.1 3,-0.2 -0.965 75.4 -94.2-160.5 170.0 34.6 -1.1 12.1 95 97 A A H > S+ 0 0 0 65,-2.2 4,-0.8 -2,-0.3 3,-0.4 0.894 119.2 53.5 -60.2 -45.0 37.5 0.7 13.8 96 98 A L H >> S+ 0 0 2 1,-0.2 4,-1.4 46,-0.2 3,-0.9 0.866 101.5 60.4 -62.3 -36.9 36.3 -0.1 17.3 97 99 A D H 3> S+ 0 0 21 1,-0.2 4,-2.5 2,-0.2 3,-0.4 0.900 100.3 55.0 -52.6 -44.3 36.1 -3.9 16.5 98 100 A T H 3< S+ 0 0 0 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.763 109.0 49.0 -64.4 -23.4 39.8 -3.9 15.7 99 101 A L H << S+ 0 0 2 -3,-0.9 4,-0.3 -4,-0.8 -1,-0.2 0.743 116.4 40.3 -85.8 -25.7 40.5 -2.5 19.1 100 102 A I H >X S+ 0 0 8 -4,-1.4 4,-1.0 -3,-0.4 3,-0.6 0.837 102.2 65.3 -92.6 -39.1 38.4 -4.9 21.0 101 103 A F H 3X S+ 0 0 9 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.805 87.0 65.1 -63.4 -39.3 39.0 -8.3 19.4 102 104 A P H 3>>S+ 0 0 0 0, 0.0 5,-1.7 0, 0.0 4,-1.5 0.901 104.6 47.5 -55.9 -39.3 42.7 -8.9 20.1 103 105 A A H <45S+ 0 0 38 -3,-0.6 -2,-0.2 24,-0.3 -3,-0.1 0.852 113.3 49.2 -65.9 -35.8 42.0 -9.2 23.9 104 106 A L H <5S+ 0 0 7 -4,-1.0 -1,-0.2 -3,-0.3 -3,-0.1 0.857 120.0 35.2 -74.8 -34.8 39.1 -11.5 23.2 105 107 A I H <5S- 0 0 14 -4,-2.8 -2,-0.2 2,-0.2 -1,-0.2 0.565 105.5-127.1 -95.2 -7.2 41.0 -13.8 20.9 106 108 A G T <5 + 0 0 44 -4,-1.5 2,-0.3 -5,-0.3 -3,-0.2 0.865 68.8 114.4 66.4 38.9 44.3 -13.4 22.9 107 109 A R < - 0 0 137 -5,-1.7 2,-0.5 -6,-0.2 -1,-0.2 -0.913 67.3-119.0-134.7 158.2 46.3 -12.4 19.8 108 110 A T - 0 0 69 -2,-0.3 2,-0.4 19,-0.1 19,-0.2 -0.876 33.8-161.2 -98.8 134.9 48.2 -9.4 18.6 109 111 A A E - H 0 126A 0 17,-2.7 17,-2.8 -2,-0.5 2,-0.7 -0.920 18.5-138.7-118.6 141.1 46.8 -8.0 15.4 110 112 A R E -GH 86 125A 178 -24,-2.8 -24,-2.9 -2,-0.4 2,-0.4 -0.895 31.6-164.9 -95.4 117.3 48.3 -5.6 12.8 111 113 A V E +GH 85 124A 2 13,-3.0 13,-2.2 -2,-0.7 2,-0.3 -0.822 13.2 170.7-109.5 139.4 45.5 -3.3 11.9 112 114 A S E +GH 84 123A 33 -28,-1.9 -28,-2.6 -2,-0.4 2,-0.2 -0.997 9.0 136.4-146.6 155.8 45.4 -1.0 8.9 113 115 A S E - H 0 122A 8 9,-2.3 9,-2.2 -2,-0.3 2,-0.4 -0.854 45.1 -90.3-165.8-166.0 42.9 1.2 7.1 114 116 A H E - H 0 121A 115 -32,-0.3 48,-0.3 -2,-0.2 6,-0.2 -0.991 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34.1-115.4-165.6 166.0 48.6 0.3 14.4 125 127 A T E -HI 110 132A 29 7,-2.8 7,-2.5 -2,-0.3 2,-0.5 -0.948 28.2-161.3-113.3 128.7 49.4 -2.8 16.3 126 128 A V E +HI 109 131A 0 -17,-2.8 -17,-2.7 -2,-0.5 5,-0.2 -0.949 11.8 176.2-116.7 118.1 46.7 -3.9 18.8 127 129 A S - 0 0 12 3,-3.1 -24,-0.3 -2,-0.5 -19,-0.1 -0.620 48.8 -95.3-109.6 177.3 47.5 -6.4 21.5 128 130 A P S S+ 0 0 58 0, 0.0 -25,-0.1 0, 0.0 3,-0.1 0.757 123.5 28.7 -62.3 -20.2 45.3 -7.6 24.4 129 131 A S S S+ 0 0 74 1,-0.2 2,-0.3 -27,-0.1 66,-0.0 0.636 124.9 0.4-116.9 -19.2 46.7 -4.9 26.7 130 132 A E - 0 0 94 2,-0.0 -3,-3.1 62,-0.0 2,-0.4 -0.985 57.3-112.6-160.6 168.1 47.8 -2.0 24.5 131 133 A I E +I 126 0A 9 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.928 36.7 174.9-108.7 141.2 48.1 -0.3 21.2 132 134 A Q E +I 125 0A 87 -7,-2.5 -7,-2.8 -2,-0.4 3,-0.2 -0.867 53.4 33.9-136.5 168.2 51.6 0.4 19.7 133 135 A A E S- 0 0 71 -2,-0.3 2,-0.7 1,-0.2 -1,-0.1 0.880 71.0-174.1 50.5 45.2 53.1 1.7 16.5 134 136 A V E - 0 0 21 -10,-0.2 -10,-0.2 -3,-0.1 -1,-0.2 -0.619 13.1-143.9 -75.8 112.2 50.2 4.1 16.1 135 137 A E E S+I 123 0A 123 -12,-2.9 -12,-2.6 -2,-0.7 2,-0.2 -0.967 86.5 24.9-131.6 116.0 50.7 5.8 12.7 136 138 A P S > S- 0 0 44 0, 0.0 3,-1.8 0, 0.0 -1,-0.2 0.565 89.8-139.9 -72.2 157.5 50.0 8.7 12.5 137 139 A A T 3 S+ 0 0 81 1,-0.3 -2,-0.1 -2,-0.2 -3,-0.1 0.825 99.6 55.8 -52.8 -38.0 50.5 9.4 16.2 138 140 A G T 3 S+ 0 0 40 26,-0.2 28,-0.5 48,-0.1 -1,-0.3 0.245 78.2 154.6 -84.8 15.2 47.4 11.6 16.3 139 141 A M < - 0 0 2 -3,-1.8 48,-2.2 26,-0.2 49,-0.3 -0.025 22.5-165.2 -48.3 144.0 45.0 8.9 14.9 140 142 A A E -RS 163 186B 0 23,-2.5 23,-2.5 46,-0.3 2,-0.3 -0.801 12.3-148.2-132.7 168.7 41.4 9.3 15.9 141 143 A V E -RS 162 185B 0 44,-2.7 44,-2.6 -2,-0.3 2,-0.4 -0.992 12.2-136.3-139.4 140.3 38.1 7.2 15.9 142 144 A S E - S 0 184B 0 19,-1.7 2,-0.4 -2,-0.3 42,-0.2 -0.801 21.0-167.9 -94.9 144.8 34.5 8.2 15.5 143 145 A L E - S 0 183B 1 40,-2.7 40,-2.3 -2,-0.4 2,-0.3 -0.955 7.1-173.4-126.5 145.9 31.8 6.8 17.7 144 146 A V - 0 0 4 -2,-0.4 37,-0.2 38,-0.2 38,-0.1 -0.928 39.1 -96.4-126.5 162.7 28.1 6.8 17.5 145 147 A L - 0 0 38 35,-2.4 35,-0.1 -2,-0.3 -139,-0.1 -0.662 44.5-116.3 -76.8 124.5 25.5 5.6 20.1 146 148 A P - 0 0 7 0, 0.0 2,-0.7 0, 0.0 10,-0.1 -0.364 26.8-131.7 -56.0 138.3 24.5 2.0 19.1 147 149 A Q > - 0 0 98 4,-0.1 3,-2.0 5,-0.1 8,-0.1 -0.864 22.3-118.7-101.8 115.1 20.8 2.0 18.3 148 150 A E T 3 S+ 0 0 110 -2,-0.7 3,-0.1 1,-0.3 -135,-0.0 -0.163 92.3 2.5 -55.8 134.4 18.9 -0.8 20.1 149 151 A A T 3 S+ 0 0 77 1,-0.2 -1,-0.3 -90,-0.0 2,-0.1 0.268 102.2 119.7 74.8 -13.6 17.3 -3.3 17.7 150 152 A A S < S- 0 0 40 -3,-2.0 2,-0.3 1,-0.1 -1,-0.2 -0.376 84.6 -81.3 -74.1 161.7 18.6 -1.6 14.6 151 153 A D > - 0 0 12 1,-0.2 4,-2.8 -3,-0.1 5,-0.4 -0.529 43.5-147.8 -62.1 121.0 20.9 -3.4 12.2 152 154 A V H >>S+ 0 0 53 -2,-0.3 5,-2.0 1,-0.2 4,-2.0 0.881 91.9 54.0 -68.6 -36.2 24.3 -3.1 14.0 153 155 A R H 4>S+ 0 0 46 3,-0.2 5,-1.9 4,-0.2 -1,-0.2 0.921 118.2 34.7 -65.8 -39.8 26.4 -3.0 10.8 154 156 A Q H 45S+ 0 0 34 3,-0.2 -2,-0.2 1,-0.1 -1,-0.1 0.958 123.2 41.3 -76.8 -49.8 24.4 -0.1 9.3 155 157 A S H <5S+ 0 0 20 -4,-2.8 -3,-0.2 -8,-0.1 -2,-0.2 0.784 136.1 6.0 -74.4 -25.9 23.5 1.9 12.5 156 158 A F T ><5S+ 0 0 7 -4,-2.0 3,-2.1 -5,-0.4 4,-0.3 0.745 123.7 49.1-120.4 -64.9 26.8 1.6 14.2 157 159 A C G > - 0 0 29 1,-0.1 4,-2.4 -26,-0.1 -26,-0.2 -0.994 66.5-112.1-160.2 159.6 43.9 13.2 13.3 166 168 A V H > S+ 0 0 49 -28,-0.5 4,-2.6 -2,-0.3 5,-0.2 0.921 117.0 48.7 -62.1 -44.7 41.5 14.6 15.9 167 169 A P H > S+ 0 0 95 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.912 111.8 49.8 -63.9 -39.3 41.1 17.9 14.1 168 170 A T H > S+ 0 0 38 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.916 112.6 47.7 -62.8 -43.6 40.5 16.2 10.8 169 171 A A H X S+ 0 0 0 -4,-2.4 4,-3.2 2,-0.2 -1,-0.2 0.881 109.9 51.5 -64.1 -40.1 37.9 14.0 12.4 170 172 A E H X S+ 0 0 98 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.879 108.2 52.5 -65.7 -36.2 36.1 16.9 14.1 171 173 A D H X S+ 0 0 81 -4,-2.1 4,-0.7 2,-0.2 -2,-0.2 0.924 113.1 44.6 -62.0 -44.8 36.0 18.7 10.7 172 174 A W H >< S+ 0 0 32 -4,-2.0 3,-1.3 1,-0.2 4,-0.2 0.929 111.2 52.8 -65.3 -46.3 34.4 15.6 9.3 173 175 A A H >< S+ 0 0 5 -4,-3.2 3,-1.9 1,-0.3 -2,-0.2 0.854 98.6 65.6 -57.3 -37.1 32.1 15.2 12.3 174 176 A S H 3< S+ 0 0 72 -4,-2.2 3,-0.4 1,-0.3 -1,-0.3 0.796 102.7 47.6 -58.8 -28.3 30.9 18.8 11.8 175 177 A K T << S+ 0 0 89 -3,-1.3 -1,-0.3 -4,-0.7 -2,-0.2 0.369 110.9 53.5 -92.4 3.5 29.4 17.8 8.4 176 178 A H X + 0 0 22 -3,-1.9 3,-1.3 -4,-0.2 -1,-0.2 -0.195 57.8 135.7-129.3 48.9 27.6 14.7 9.9 177 179 A Q T 3 + 0 0 135 -3,-0.4 4,-0.1 1,-0.3 5,-0.1 0.507 58.3 80.2 -79.6 -2.4 25.6 16.0 12.9 178 180 A G T 3 S+ 0 0 79 149,-0.2 2,-0.5 -3,-0.1 -1,-0.3 0.496 72.1 100.0 -76.3 -4.2 22.5 13.9 11.9 179 181 A L S X S- 0 0 38 -3,-1.3 3,-1.6 1,-0.1 2,-0.2 -0.734 85.2-109.5 -88.4 131.0 24.2 10.9 13.5 180 182 A E T 3 S- 0 0 104 -2,-0.5 -35,-2.4 1,-0.3 -2,-0.1 -0.350 92.7 -11.9 -64.8 119.9 23.0 10.0 17.0 181 183 A G T 3 S- 0 0 31 -37,-0.2 -1,-0.3 -2,-0.2 2,-0.1 0.805 84.5-174.3 61.8 34.3 25.6 10.7 19.7 182 184 A L < + 0 0 26 -3,-1.6 2,-0.3 -38,-0.1 -38,-0.2 -0.394 10.2 168.6 -62.8 131.5 28.4 11.3 17.2 183 185 A A E -S 143 0B 25 -40,-2.3 -40,-2.7 -2,-0.1 2,-0.5 -0.997 29.4-141.9-149.2 144.2 31.7 11.8 19.0 184 186 A I E +S 142 0B 22 -2,-0.3 2,-0.3 -42,-0.2 -42,-0.2 -0.944 26.1 171.1-110.5 131.1 35.4 11.9 18.1 185 187 A V E -S 141 0B 8 -44,-2.6 -44,-2.7 -2,-0.5 2,-0.1 -0.894 38.2 -97.6-130.0 163.1 38.0 10.4 20.4 186 188 A S E > -S 140 0B 33 -2,-0.3 4,-2.3 -46,-0.2 -46,-0.3 -0.420 39.2-112.9 -70.5 155.2 41.7 9.7 20.2 187 189 A V H > S+ 0 0 1 -48,-2.2 4,-2.3 1,-0.2 5,-0.1 0.853 120.6 55.2 -58.7 -33.9 42.6 6.1 19.2 188 190 A H H > S+ 0 0 111 -49,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.922 108.0 48.6 -66.4 -39.9 44.0 5.6 22.7 189 191 A E H > S+ 0 0 106 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.898 110.5 51.7 -62.0 -41.9 40.6 6.8 24.2 190 192 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.896 107.1 52.3 -62.8 -41.7 38.8 4.3 21.8 191 193 A F H X S+ 0 0 15 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.875 107.5 52.6 -61.0 -38.0 41.0 1.4 23.0 192 194 A G H X S+ 0 0 24 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.870 106.8 52.0 -66.4 -38.1 40.2 2.2 26.6 193 195 A L H X S+ 0 0 5 -4,-1.8 4,-2.7 1,-0.2 -2,-0.2 0.935 108.6 52.1 -60.8 -46.2 36.5 2.1 25.8 194 196 A G H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.879 107.6 51.9 -58.0 -37.6 37.2 -1.3 24.2 195 197 A Q H X S+ 0 0 90 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.894 109.7 48.5 -66.9 -40.0 38.9 -2.4 27.4 196 198 A E H X S+ 0 0 57 -4,-2.1 4,-2.0 2,-0.2 5,-0.2 0.916 110.9 51.9 -65.1 -43.9 35.9 -1.3 29.5 197 199 A F H X S+ 0 0 12 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.952 112.2 44.9 -56.8 -49.5 33.6 -3.2 27.1 198 200 A N H X S+ 0 0 11 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.858 108.2 57.0 -66.0 -35.8 35.6 -6.4 27.4 199 201 A R H X S+ 0 0 125 -4,-2.2 4,-1.0 1,-0.2 -1,-0.2 0.903 114.4 39.2 -63.7 -40.4 35.9 -6.2 31.2 200 202 A H H X S+ 0 0 53 -4,-2.0 4,-1.4 2,-0.2 3,-0.3 0.922 112.3 55.8 -73.4 -44.6 32.1 -6.1 31.5 201 203 A L H < S+ 0 0 0 -4,-2.9 4,-0.5 1,-0.2 3,-0.4 0.901 106.4 51.6 -53.1 -44.6 31.5 -8.6 28.7 202 204 A L H >< S+ 0 0 92 -4,-2.3 3,-0.7 1,-0.2 -1,-0.2 0.833 105.5 54.8 -66.8 -33.9 33.7 -11.2 30.4 203 205 A Q H 3< S+ 0 0 135 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.827 107.4 50.9 -65.1 -32.5 31.8 -10.8 33.8 204 206 A T T 3< S+ 0 0 59 -4,-1.4 2,-0.4 -3,-0.4 -1,-0.2 0.489 89.3 99.8 -88.2 -3.6 28.5 -11.5 32.1 205 207 A M < 0 0 56 -3,-0.7 -186,-0.0 -4,-0.5 -3,-0.0 -0.690 360.0 360.0 -83.4 133.8 29.8 -14.7 30.4 206 208 A S 0 0 131 -2,-0.4 -2,-0.1 0, 0.0 -3,-0.1 -0.816 360.0 360.0 -96.9 360.0 28.9 -17.9 32.2 207 !* 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 0.0 208 1 B M 0 0 154 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 19.0 32.0 9.7 -23.5 209 2 B K + 0 0 133 0, 0.0 4,-0.2 0, 0.0 0, 0.0 -0.953 360.0 32.4 -83.9 2.8 32.5 11.3 -21.1 210 3 B L S >> S+ 0 0 20 1,-0.2 4,-2.2 2,-0.1 3,-0.7 0.356 87.2 107.3 -98.3 9.8 31.2 8.3 -19.2 211 4 B A H 3> S+ 0 0 36 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.868 73.2 57.5 -56.0 -40.5 32.4 5.7 -21.7 212 5 B P H 3> S+ 0 0 60 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.887 109.9 45.1 -60.0 -36.5 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