==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 09-FEB-04 1SAZ . COMPND 2 MOLECULE: PROBABLE BUTYRATE KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR J.DIAO,D.R.COOPER,D.A.SANDERS,M.S.HASSON . 375 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18939.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 288 76.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 7.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 10.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 4 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 35 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 119 31.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.9 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 2 0 0 1 3 0 0 0 2 2 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 0 2 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 0 PARALLEL BRIDGES PER LADDER . 2 0 1 1 0 0 2 1 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 1 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 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 X 0 0 143 0, 0.0 2,-0.4 0, 0.0 19,-0.0 0.000 360.0 360.0 360.0 112.5 31.4 43.7 45.5 2 2 A F - 0 0 65 67,-0.0 19,-2.6 66,-0.0 2,-0.6 -0.863 360.0-147.3-103.8 134.7 34.6 41.6 45.7 3 3 A R E -A 20 0A 32 -2,-0.4 66,-3.3 64,-0.3 67,-1.1 -0.899 22.5-172.0-102.4 123.8 37.5 42.2 43.3 4 4 A I E -Ab 19 70A 0 15,-3.8 15,-2.9 -2,-0.6 2,-0.5 -0.906 17.6-153.1-122.2 146.3 39.3 39.0 42.4 5 5 A L E -Ab 18 71A 0 65,-1.8 67,-3.4 -2,-0.3 2,-0.4 -0.969 12.7-155.5-116.2 127.7 42.5 38.2 40.5 6 6 A T E -Ab 17 72A 0 11,-2.6 11,-1.2 -2,-0.5 2,-0.5 -0.883 3.3-160.5-106.9 133.5 42.9 34.8 38.8 7 7 A I E +Ab 16 73A 1 65,-3.9 67,-1.8 -2,-0.4 9,-0.2 -0.955 14.8 170.1-117.2 122.8 46.3 33.3 38.0 8 8 A N E -A 15 0A 2 7,-2.1 7,-2.9 -2,-0.5 2,-0.5 -0.725 7.7-175.1-136.8 84.5 46.7 30.6 35.4 9 9 A P E -A 14 0A 1 0, 0.0 5,-0.2 0, 0.0 2,-0.2 -0.698 11.2-175.5 -83.7 121.5 50.3 29.7 34.4 10 10 A G - 0 0 9 3,-3.5 -2,-0.0 -2,-0.5 94,-0.0 -0.604 41.6 -94.4-111.7 173.0 50.5 27.2 31.6 11 11 A S S S+ 0 0 78 1,-0.2 -1,-0.1 -2,-0.2 3,-0.0 0.916 122.8 8.3 -49.6 -51.7 53.4 25.3 29.8 12 12 A T S S+ 0 0 93 19,-0.0 20,-3.0 -3,-0.0 2,-0.3 0.376 130.3 40.1-115.5 2.4 53.7 28.0 27.1 13 13 A S E - C 0 31A 18 18,-0.3 -3,-3.5 2,-0.0 2,-0.4 -0.912 57.7-141.4-145.2 172.6 51.4 30.8 28.3 14 14 A T E -AC 9 30A 4 16,-0.6 16,-3.4 -2,-0.3 2,-0.5 -0.963 17.1-166.3-139.4 117.6 50.1 32.8 31.3 15 15 A K E +AC 8 29A 41 -7,-2.9 -7,-2.1 -2,-0.4 2,-0.3 -0.910 10.3 173.2-111.7 132.0 46.5 33.8 31.7 16 16 A L E +AC 7 28A 0 12,-1.7 12,-2.2 -2,-0.5 2,-0.3 -0.957 0.8 172.5-132.6 149.8 45.3 36.4 34.1 17 17 A S E -AC 6 27A 0 -11,-1.2 -11,-2.6 -2,-0.3 2,-0.5 -0.990 22.6-137.0-154.3 159.3 41.9 38.1 34.7 18 18 A I E -AC 5 26A 0 8,-2.9 7,-3.5 -2,-0.3 8,-1.2 -0.980 17.8-167.7-124.2 126.3 40.2 40.4 37.1 19 19 A F E -AC 4 24A 8 -15,-2.9 -15,-3.8 -2,-0.5 2,-0.7 -0.934 15.3-161.9-116.3 136.2 36.6 39.8 38.3 20 20 A E E > S-AC 3 23A 42 3,-2.9 3,-1.5 -2,-0.4 2,-0.4 -0.896 78.3 -51.7-112.4 94.8 34.4 42.2 40.2 21 21 A D T 3 S- 0 0 41 -19,-2.6 -17,-0.1 -2,-0.7 322,-0.1 -0.630 122.4 -21.6 72.0-123.6 31.9 39.8 41.6 22 22 A E T 3 S+ 0 0 125 -2,-0.4 2,-0.5 -3,-0.1 -1,-0.3 0.364 119.8 95.7 -97.8 5.1 30.7 37.7 38.6 23 23 A R E < -C 20 0A 203 -3,-1.5 -3,-2.9 2,-0.0 2,-0.4 -0.835 69.1-139.3-100.1 129.4 31.7 40.3 36.0 24 24 A X E +C 19 0A 108 -2,-0.5 -5,-0.2 -5,-0.2 3,-0.1 -0.716 23.6 174.0 -84.5 131.7 35.0 40.0 34.3 25 25 A V E + 0 0 71 -7,-3.5 2,-0.3 -2,-0.4 -6,-0.2 0.595 64.1 12.1-113.6 -15.5 36.7 43.4 33.9 26 26 A K E +C 18 0A 54 -8,-1.2 -8,-2.9 2,-0.0 -1,-0.4 -0.930 57.5 164.3-163.6 136.1 40.1 42.4 32.5 27 27 A X E +C 17 0A 76 -2,-0.3 2,-0.3 -10,-0.3 -10,-0.2 -0.980 5.0 173.0-153.1 142.6 41.8 39.3 31.0 28 28 A Q E -C 16 0A 85 -12,-2.2 -12,-1.7 -2,-0.3 2,-0.5 -0.949 22.9-142.5-156.7 132.9 44.9 38.8 29.0 29 29 A N E -C 15 0A 74 -2,-0.3 2,-0.8 -14,-0.2 -14,-0.2 -0.848 13.0-160.2 -96.7 124.1 46.9 35.8 27.7 30 30 A F E -C 14 0A 39 -16,-3.4 -16,-0.6 -2,-0.5 2,-0.1 -0.806 11.4-160.7-108.2 91.5 50.6 36.2 27.8 31 31 A S E -C 13 0A 91 -2,-0.8 2,-0.5 -18,-0.2 -18,-0.3 -0.374 4.4-147.8 -69.1 147.7 52.1 33.7 25.4 32 32 A H - 0 0 9 -20,-3.0 -1,-0.0 -2,-0.1 -2,-0.0 -0.977 10.8-135.2-123.7 119.9 55.8 32.8 25.9 33 33 A S > - 0 0 47 -2,-0.5 4,-2.5 1,-0.1 5,-0.3 -0.374 25.0-112.6 -71.8 149.1 57.9 31.9 22.8 34 34 A P H > S+ 0 0 109 0, 0.0 4,-3.1 0, 0.0 -1,-0.1 0.828 119.6 51.5 -48.5 -36.2 60.3 28.8 23.0 35 35 A D H > S+ 0 0 138 2,-0.2 4,-0.5 1,-0.2 3,-0.0 0.995 112.0 42.3 -63.0 -65.4 63.2 31.3 22.7 36 36 A E H 4 S+ 0 0 61 1,-0.2 -1,-0.2 2,-0.2 3,-0.2 0.751 121.3 45.9 -52.4 -28.4 62.0 33.6 25.6 37 37 A L H >< S+ 0 0 32 -4,-2.5 3,-1.4 1,-0.2 -1,-0.2 0.865 100.7 61.4 -86.8 -41.8 61.2 30.4 27.5 38 38 A G H 3< S+ 0 0 57 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.504 80.8 90.2 -65.6 -0.6 64.3 28.3 26.9 39 39 A R T 3< S+ 0 0 156 -4,-0.5 2,-0.4 -3,-0.2 -1,-0.3 0.482 78.9 72.0 -73.7 -2.6 66.2 31.1 28.7 40 40 A F < - 0 0 40 -3,-1.4 6,-0.1 1,-0.2 3,-0.0 -0.959 65.8-156.1-121.1 133.2 65.6 29.2 32.0 41 41 A Q S S+ 0 0 167 -2,-0.4 2,-0.2 1,-0.1 -1,-0.2 0.992 82.7 23.6 -65.7 -65.6 67.3 26.0 33.1 42 42 A K S > S- 0 0 115 1,-0.1 3,-1.1 0, 0.0 4,-0.2 -0.679 84.0-115.7-100.5 157.8 64.7 24.7 35.5 43 43 A I G > S+ 0 0 51 1,-0.3 3,-1.8 -2,-0.2 4,-0.2 0.851 113.2 64.8 -61.7 -33.4 61.0 25.6 35.5 44 44 A L G > S+ 0 0 63 1,-0.3 3,-2.0 2,-0.2 -1,-0.3 0.809 87.3 71.5 -59.9 -28.7 61.3 27.2 38.9 45 45 A D G < S+ 0 0 82 -3,-1.1 4,-0.4 1,-0.3 3,-0.4 0.649 86.2 65.2 -63.1 -15.8 63.6 29.8 37.3 46 46 A Q G <> S+ 0 0 14 -3,-1.8 4,-2.7 -4,-0.2 5,-0.3 0.591 75.1 99.1 -81.9 -9.6 60.7 31.4 35.5 47 47 A L H <> S+ 0 0 17 -3,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.871 85.9 37.3 -43.4 -56.0 59.2 32.4 38.9 48 48 A E H > S+ 0 0 108 -3,-0.4 4,-1.7 -4,-0.2 -1,-0.2 0.833 114.2 57.8 -70.9 -30.6 60.3 36.0 38.8 49 49 A F H > S+ 0 0 28 -4,-0.4 4,-0.9 1,-0.2 -2,-0.2 0.929 112.1 39.0 -64.2 -45.7 59.7 36.3 35.1 50 50 A R H X S+ 0 0 2 -4,-2.7 4,-1.7 2,-0.2 -2,-0.2 0.846 111.3 57.0 -74.8 -34.5 56.0 35.4 35.4 51 51 A E H X S+ 0 0 10 -4,-2.0 4,-2.7 -5,-0.3 5,-0.3 0.889 103.3 57.1 -61.6 -37.7 55.4 37.3 38.7 52 52 A K H X S+ 0 0 102 -4,-1.7 4,-1.7 1,-0.2 -1,-0.2 0.862 104.7 50.7 -61.8 -37.0 56.6 40.4 36.8 53 53 A I H X S+ 0 0 11 -4,-0.9 4,-2.0 2,-0.2 -1,-0.2 0.870 111.6 47.6 -70.6 -35.7 53.9 39.9 34.2 54 54 A A H X S+ 0 0 1 -4,-1.7 4,-2.0 2,-0.2 5,-0.3 0.925 111.6 48.2 -70.4 -45.8 51.2 39.5 36.9 55 55 A R H X S+ 0 0 56 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.874 114.5 49.1 -60.5 -36.7 52.4 42.6 38.8 56 56 A Q H X S+ 0 0 78 -4,-1.7 4,-2.3 -5,-0.3 -1,-0.2 0.872 105.6 56.6 -69.1 -41.0 52.4 44.4 35.5 57 57 A F H < S+ 0 0 4 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.889 117.0 34.3 -59.2 -43.4 48.9 43.2 34.6 58 58 A V H ><>S+ 0 0 3 -4,-2.0 3,-1.4 1,-0.1 5,-0.6 0.897 111.4 66.2 -77.3 -42.3 47.4 44.7 37.7 59 59 A E H ><5S+ 0 0 135 -4,-2.6 3,-1.8 1,-0.3 2,-1.3 0.906 97.7 51.0 -41.8 -61.0 49.9 47.6 37.6 60 60 A E T 3<5S+ 0 0 158 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.1 -0.052 98.5 72.4 -75.8 38.1 48.4 49.1 34.4 61 61 A T T < 5S- 0 0 37 -3,-1.4 -1,-0.3 -2,-1.3 -2,-0.2 0.510 101.2-123.8-121.7 -21.9 45.0 48.9 36.0 62 62 A G T < 5S+ 0 0 75 -3,-1.8 2,-0.1 -4,-0.5 -3,-0.1 0.155 78.2 113.4 93.2 -18.0 45.3 51.7 38.4 63 63 A Y < - 0 0 85 -5,-0.6 -1,-0.4 2,-0.0 2,-0.3 -0.474 61.1-136.6 -84.9 156.2 44.4 49.3 41.2 64 64 A S > - 0 0 65 -2,-0.1 3,-2.8 -3,-0.1 4,-0.3 -0.861 25.3-112.4-112.5 149.6 46.8 48.1 43.9 65 65 A L G > S+ 0 0 21 -2,-0.3 3,-0.6 1,-0.3 57,-0.1 0.660 115.0 62.8 -54.0 -17.0 47.1 44.5 45.1 66 66 A S G 3 S+ 0 0 78 1,-0.2 -1,-0.3 53,-0.1 -3,-0.0 0.530 89.2 67.3 -88.1 -5.5 45.6 45.5 48.4 67 67 A S G < S+ 0 0 46 -3,-2.8 -64,-0.3 55,-0.0 -1,-0.2 0.486 84.9 94.6 -89.4 -4.5 42.3 46.5 46.8 68 68 A F < - 0 0 7 -3,-0.6 -64,-0.2 -4,-0.3 3,-0.1 -0.455 63.9-152.9 -83.8 161.2 41.6 42.9 45.9 69 69 A S S S- 0 0 33 -66,-3.3 2,-0.3 1,-0.4 -65,-0.2 0.635 76.7 -0.6-104.3 -22.8 39.6 40.5 48.1 70 70 A A E -b 4 0A 0 -67,-1.1 -65,-1.8 52,-0.1 2,-0.5 -0.991 52.5-141.2-163.9 156.5 41.3 37.4 46.9 71 71 A F E -bd 5 124A 0 52,-2.0 54,-3.0 -2,-0.3 2,-0.4 -0.996 26.3-165.9-122.0 127.5 44.0 36.0 44.6 72 72 A V E -bd 6 125A 0 -67,-3.4 -65,-3.9 -2,-0.5 2,-0.3 -0.964 6.2-176.2-122.4 130.8 43.0 32.7 42.9 73 73 A S E -bd 7 126A 0 52,-3.0 54,-1.4 -2,-0.4 -65,-0.2 -0.870 32.6-104.5-126.4 158.2 45.3 30.3 41.1 74 74 A R E - d 0 127A 52 -67,-1.8 36,-0.3 -2,-0.3 54,-0.1 -0.470 50.2-110.4 -69.6 143.6 45.1 27.0 39.2 75 75 A G - 0 0 3 52,-0.8 2,-0.2 53,-0.2 34,-0.2 0.096 35.5-160.2 -64.5-171.1 46.3 24.2 41.3 76 76 A G - 0 0 3 31,-0.1 2,-2.3 -3,-0.1 55,-0.5 -0.740 45.7 -43.2-151.1-161.3 49.6 22.4 40.6 77 77 A L S S+ 0 0 31 -2,-0.2 24,-0.3 25,-0.2 2,-0.1 -0.409 77.0 152.4 -79.0 67.4 51.4 19.2 41.4 78 78 A L - 0 0 2 -2,-2.3 3,-0.1 1,-0.2 14,-0.0 -0.315 56.2 -80.1 -86.2 174.4 50.5 19.0 45.1 79 79 A D S S- 0 0 21 1,-0.2 -1,-0.2 -2,-0.1 52,-0.1 -0.410 72.3 -69.5 -71.3 156.3 50.1 15.8 47.0 80 80 A P + 0 0 38 0, 0.0 52,-0.2 0, 0.0 -1,-0.2 -0.173 67.9 163.6 -49.9 135.7 46.8 14.0 46.4 81 81 A I B -g 132 0B 0 50,-1.1 52,-2.2 -3,-0.1 278,-0.1 -0.987 39.4 -96.6-152.9 158.5 43.8 15.8 47.9 82 82 A P - 0 0 8 0, 0.0 52,-0.1 0, 0.0 46,-0.1 -0.253 56.0 -87.0 -70.6 165.7 39.9 15.9 47.7 83 83 A G S S+ 0 0 7 45,-0.1 2,-0.3 44,-0.1 73,-0.0 -0.175 77.1 83.1 -68.8 168.5 38.3 18.5 45.5 84 84 A G S S- 0 0 9 -3,-0.1 44,-2.4 2,-0.0 2,-0.6 -0.824 79.8 -53.0 134.1-174.1 37.6 22.0 46.7 85 85 A V E -E 127 0A 1 266,-0.4 268,-3.3 -2,-0.3 2,-0.3 -0.928 52.6-161.0-108.2 118.3 39.0 25.5 47.2 86 86 A Y E -Ef 126 353A 0 40,-3.1 40,-2.0 -2,-0.6 2,-0.4 -0.744 17.9-126.6-104.6 148.7 42.2 25.5 49.3 87 87 A L E -Ef 125 354A 75 266,-1.9 268,-0.7 -2,-0.3 2,-0.4 -0.715 35.2-117.0 -85.2 136.3 43.9 28.3 51.2 88 88 A V + 0 0 14 36,-2.6 36,-0.2 -2,-0.4 2,-0.2 -0.651 47.4 167.8 -77.6 127.1 47.5 28.6 50.1 89 89 A D > - 0 0 34 -2,-0.4 4,-1.9 1,-0.0 5,-0.1 -0.666 49.2 -84.8-129.0-173.4 49.8 27.9 53.1 90 90 A G H > S+ 0 0 52 1,-0.2 4,-2.5 -2,-0.2 5,-0.2 0.866 121.7 52.9 -63.4 -40.2 53.4 27.1 54.0 91 91 A L H > S+ 0 0 66 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.895 108.4 51.1 -64.1 -39.9 53.3 23.4 53.3 92 92 A X H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.951 111.3 47.7 -62.0 -49.3 51.9 24.0 49.8 93 93 A I H X S+ 0 0 19 -4,-1.9 4,-3.1 1,-0.2 5,-0.3 0.935 110.6 50.8 -56.6 -50.7 54.6 26.5 49.0 94 94 A K H X S+ 0 0 147 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.917 112.5 47.5 -54.3 -46.0 57.4 24.2 50.2 95 95 A T H X>S+ 0 0 5 -4,-2.2 5,-0.9 2,-0.2 4,-0.6 0.918 113.8 46.8 -62.9 -45.6 56.0 21.3 48.2 96 96 A L H ><5S+ 0 0 8 -4,-2.7 3,-1.1 1,-0.2 -2,-0.2 0.948 112.9 47.4 -64.0 -49.8 55.7 23.4 45.0 97 97 A K H 3<5S+ 0 0 95 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.851 113.8 48.5 -61.3 -34.6 59.1 25.0 45.2 98 98 A S H 3<5S- 0 0 73 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.527 93.1-146.5 -84.2 -5.5 60.7 21.6 45.9 99 99 A G T X<5 + 0 0 18 -3,-1.1 3,-2.2 -4,-0.6 -3,-0.2 0.800 39.9 157.3 43.7 34.1 58.9 20.0 43.0 100 100 A K T 3 - 0 0 46 -2,-0.4 3,-2.3 1,-0.1 4,-0.4 -0.975 49.9-120.1-156.4 142.1 55.2 22.0 36.1 105 105 A A T > S+ 0 0 4 -2,-0.3 3,-1.5 1,-0.3 4,-0.5 0.811 109.6 69.0 -54.0 -31.3 54.5 25.7 35.1 106 106 A S T 3> S+ 0 0 5 1,-0.3 4,-0.6 2,-0.2 3,-0.5 0.669 84.9 69.8 -64.0 -16.5 51.2 25.5 37.0 107 107 A N H <> S+ 0 0 8 -3,-2.3 4,-1.1 1,-0.2 3,-0.3 0.804 88.4 64.1 -71.6 -27.4 53.1 25.3 40.3 108 108 A L H <> S+ 0 0 4 -3,-1.5 4,-2.6 -4,-0.4 -1,-0.2 0.797 88.9 70.0 -66.4 -29.5 54.3 28.9 39.9 109 109 A G H > S+ 0 0 0 -4,-0.5 4,-2.0 -3,-0.5 -1,-0.2 0.916 99.8 43.0 -55.2 -51.3 50.7 30.1 40.1 110 110 A A H X S+ 0 0 3 -4,-0.6 4,-2.5 -3,-0.3 -1,-0.2 0.904 113.8 52.7 -63.5 -42.3 50.1 29.4 43.8 111 111 A I H X S+ 0 0 3 -4,-1.1 4,-1.7 1,-0.2 -1,-0.2 0.916 109.6 49.1 -59.2 -44.7 53.6 30.7 44.7 112 112 A I H X S+ 0 0 3 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.887 111.3 48.6 -63.6 -40.4 52.8 34.0 42.9 113 113 A A H X S+ 0 0 0 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.893 106.8 57.7 -67.6 -38.2 49.5 34.4 44.6 114 114 A H H X S+ 0 0 62 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.881 106.5 47.4 -59.2 -42.2 51.1 33.7 48.0 115 115 A R H X S+ 0 0 60 -4,-1.7 4,-1.8 2,-0.3 5,-0.2 0.951 109.0 52.6 -65.4 -47.9 53.5 36.6 47.6 116 116 A F H X S+ 0 0 0 -4,-1.9 4,-0.9 1,-0.2 6,-0.3 0.847 112.0 51.0 -54.3 -29.8 50.8 38.9 46.6 117 117 A S H X S+ 0 0 23 -4,-1.6 4,-3.0 1,-0.2 3,-0.4 0.902 105.0 51.7 -74.8 -43.4 49.2 37.6 49.8 118 118 A S H < S+ 0 0 92 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.742 112.1 48.7 -67.1 -22.2 52.2 38.3 52.1 119 119 A E H < S+ 0 0 105 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.709 126.4 22.4 -89.5 -21.7 52.4 41.9 50.8 120 120 A T H < S- 0 0 39 -4,-0.9 -2,-0.2 -3,-0.4 -3,-0.2 0.616 91.0-123.5-121.3 -18.7 48.7 42.8 51.2 121 121 A G < + 0 0 66 -4,-3.0 -4,-0.1 1,-0.3 -3,-0.1 0.289 65.4 137.8 88.8 -11.7 47.1 40.4 53.7 122 122 A V - 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0 0 72 -2,-0.2 4,-3.5 1,-0.0 5,-0.6 -0.798 32.6-157.0-142.2 86.1 66.0 8.2 23.9 234 234 A Y T 45S+ 0 0 157 -2,-0.2 4,-0.3 1,-0.2 -2,-0.0 0.788 96.8 40.7 -37.5 -36.5 64.5 8.7 27.5 235 235 A E T >>5S+ 0 0 138 2,-0.2 4,-1.6 3,-0.1 3,-0.9 0.973 117.2 43.0 -78.3 -63.6 63.3 12.0 26.1 236 236 A E G >45S+ 0 0 79 1,-0.3 3,-0.5 2,-0.2 4,-0.3 0.896 118.6 45.7 -49.5 -48.5 62.1 11.0 22.6 237 237 A X G 3<5S+ 0 0 66 -4,-3.5 3,-0.3 1,-0.2 -1,-0.3 0.726 112.4 54.2 -69.5 -20.5 60.4 7.9 23.9 238 238 A K G <4S+ 0 0 98 -4,-1.6 5,-3.4 -3,-0.5 4,-1.4 0.467 83.8 82.6 -86.5 -1.3 57.4 12.6 24.4 240 240 A R T 45S+ 0 0 140 -3,-0.3 -1,-0.2 -4,-0.3 6,-0.1 -0.211 91.8 50.0 -92.8 41.8 55.3 9.9 22.8 241 241 A I T 45S+ 0 0 57 -3,-0.3 -25,-0.4 -2,-0.2 -1,-0.2 0.415 128.3 9.8-147.1 -25.5 52.8 10.2 25.6 242 242 A V T 45S+ 0 0 63 -3,-0.3 -2,-0.1 -4,-0.2 -3,-0.1 0.425 135.6 24.2-138.4 -11.6 52.0 13.9 26.0 243 243 A G T <5S+ 0 0 40 -4,-1.4 2,-0.8 -5,-0.1 -3,-0.2 0.733 117.7 33.5-121.8 -63.8 53.6 15.5 23.0 244 244 A N S + 0 0 4 -32,-1.2 3,-0.7 -2,-0.8 -30,-0.2 -0.967 62.2 40.0-165.9 174.1 51.4 11.0 19.5 246 246 A G T >> S- 0 0 3 -2,-0.3 4,-1.4 1,-0.2 3,-1.1 -0.434 116.7 -9.0 77.7-150.9 47.8 10.5 18.6 247 247 A L H 3>>S+ 0 0 0 -36,-1.4 4,-3.3 1,-0.3 5,-0.8 0.858 134.5 57.8 -51.7 -39.9 46.2 12.3 15.6 248 248 A V H <>5S+ 0 0 39 -36,-1.9 4,-0.8 -3,-0.7 -1,-0.3 0.836 106.3 49.8 -61.6 -32.6 49.4 14.4 15.1 249 249 A A H <45S+ 0 0 59 -3,-1.1 -1,-0.2 2,-0.1 -2,-0.2 0.786 120.5 34.3 -76.8 -30.0 51.5 11.2 14.8 250 250 A Y H <5S+ 0 0 124 -4,-1.4 -2,-0.2 -3,-0.3 -3,-0.2 0.893 135.0 20.2 -90.2 -48.0 49.1 9.6 12.2 251 251 A L H <5S- 0 0 16 -4,-3.3 -3,-0.2 2,-0.3 -2,-0.1 0.552 99.3-116.8-101.5 -11.8 47.9 12.6 10.2 252 252 A G S <> - 0 0 74 1,-0.2 4,-2.0 -8,-0.1 3,-0.7 -0.819 51.8-163.6 -96.3 108.9 43.6 20.3 14.6 256 256 A A H 3> S+ 0 0 19 -2,-0.8 4,-2.9 1,-0.3 5,-0.2 0.867 91.2 57.5 -57.9 -39.7 40.3 18.5 14.4 257 257 A R H 3> S+ 0 0 177 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.851 107.4 49.3 -61.2 -32.6 38.9 21.1 12.0 258 258 A E H <> S+ 0 0 58 -3,-0.7 4,-1.9 2,-0.2 -2,-0.2 0.910 111.7 48.1 -71.5 -42.4 41.8 20.2 9.7 259 259 A V H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.873 110.1 51.2 -65.9 -39.0 41.0 16.5 10.0 260 260 A V H X S+ 0 0 6 -4,-2.9 4,-1.8 2,-0.2 -1,-0.2 0.862 106.6 55.3 -67.0 -35.4 37.3 17.0 9.3 261 261 A R H X S+ 0 0 103 -4,-1.5 4,-0.7 -5,-0.2 -2,-0.2 0.948 108.2 48.7 -61.2 -47.3 38.2 19.0 6.2 262 262 A R H ><>S+ 0 0 51 -4,-1.9 5,-2.1 1,-0.2 3,-0.9 0.874 107.8 53.9 -60.2 -40.2 40.2 16.1 5.0 263 263 A I H ><5S+ 0 0 13 -4,-1.9 3,-1.3 1,-0.3 -1,-0.2 0.865 104.8 55.0 -63.7 -35.3 37.4 13.6 5.7 264 264 A K H 3<5S+ 0 0 130 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.683 103.9 56.5 -71.2 -15.3 35.1 15.8 3.6 265 265 A Q T <<5S- 0 0 142 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.347 126.3 -97.8 -95.5 2.6 37.5 15.5 0.7 266 266 A G T < 5 + 0 0 55 -3,-1.3 2,-0.3 1,-0.3 -3,-0.2 0.488 65.5 159.7 95.4 2.3 37.4 11.7 0.7 267 267 A D >< - 0 0 55 -5,-2.1 4,-1.0 1,-0.2 -1,-0.3 -0.458 16.5-174.7 -60.5 118.8 40.5 11.1 2.8 268 268 A E H > S+ 0 0 147 -2,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.784 77.3 51.2 -91.0 -30.8 40.0 7.5 4.1 269 269 A W H > S+ 0 0 124 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.877 111.4 51.6 -72.3 -36.1 43.0 7.0 6.4 270 270 A A H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.943 111.9 44.7 -63.1 -48.9 42.1 10.3 8.0 271 271 A K H X S+ 0 0 94 -4,-1.0 4,-2.4 1,-0.2 -1,-0.2 0.848 111.8 54.2 -64.2 -34.5 38.5 9.2 8.6 272 272 A R H X S+ 0 0 137 -4,-1.7 4,-0.7 2,-0.2 -1,-0.2 0.832 112.9 41.6 -70.6 -33.4 39.6 5.8 9.8 273 273 A V H X S+ 0 0 8 -4,-1.8 4,-1.2 2,-0.2 -2,-0.2 0.826 115.0 49.7 -82.9 -35.2 41.9 7.3 12.5 274 274 A Y H >X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 3,-0.9 0.956 110.8 50.6 -66.7 -48.8 39.5 9.9 13.6 275 275 A R H 3X S+ 0 0 134 -4,-2.4 4,-2.2 1,-0.3 -1,-0.2 0.799 105.6 57.7 -59.4 -28.0 36.7 7.3 13.8 276 276 A A H 3X S+ 0 0 35 -4,-0.7 4,-1.8 2,-0.2 -1,-0.3 0.831 103.4 52.9 -73.2 -30.3 39.1 5.2 15.9 277 277 A X H S+ 0 0 9 -4,-1.7 5,-2.7 1,-0.2 -1,-0.2 0.907 106.2 49.6 -65.1 -38.6 29.1 3.3 33.0 290 290 A A H ><5S+ 0 0 76 -4,-1.9 3,-0.8 1,-0.2 -1,-0.2 0.771 105.3 58.8 -69.4 -25.3 30.0 -0.1 34.5 291 291 A V H 3<5S+ 0 0 40 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.843 107.4 45.6 -71.0 -33.9 31.6 1.7 37.4 292 292 A L T ><5S- 0 0 7 -4,-1.5 3,-2.2 -3,-0.2 -1,-0.2 0.277 114.2-119.6 -91.3 10.4 28.2 3.3 38.1 293 293 A K T < 5 - 0 0 168 -3,-0.8 -3,-0.2 1,-0.3 -2,-0.1 0.814 69.2 -60.4 56.1 30.4 26.5 -0.0 37.7 294 294 A G T 3 S-Ml 331 330D 2 28,-1.0 28,-1.5 26,-0.7 3,-1.5 -0.396 97.4 -51.0 104.2 175.6 36.2 20.2 25.9 304 304 A G G > S+ 0 0 41 1,-0.3 3,-2.3 26,-0.2 4,-0.4 0.893 130.7 58.1 -54.5 -46.2 37.4 21.3 22.5 305 305 A L G > S+ 0 0 11 -122,-2.6 3,-0.9 1,-0.3 8,-0.3 0.672 90.4 73.7 -61.7 -15.5 36.5 18.2 20.7 306 306 A A G < S+ 0 0 3 -3,-1.5 -1,-0.3 -123,-0.4 -2,-0.2 0.653 85.1 67.4 -72.9 -12.7 32.9 18.6 21.8 307 307 A H G < S+ 0 0 121 -3,-2.3 2,-1.6 -4,-0.3 -1,-0.2 0.798 77.9 87.9 -74.6 -29.6 32.7 21.4 19.2 308 308 A E < > + 0 0 17 -3,-0.9 5,-1.9 -4,-0.4 -1,-0.1 -0.545 48.2 160.4 -76.5 90.7 33.1 19.0 16.4 309 309 A K T 5 + 0 0 151 -2,-1.6 -1,-0.2 3,-0.2 -2,-0.0 0.361 57.6 71.9 -92.9 2.9 29.4 18.0 15.8 310 310 A E T 5S- 0 0 99 3,-0.1 -1,-0.2 -3,-0.1 -2,-0.1 0.887 122.0 -12.6 -85.4 -41.5 29.7 16.6 12.3 311 311 A F T >5S+ 0 0 33 -3,-0.1 4,-2.7 3,-0.1 5,-0.2 0.706 127.5 50.9-123.3 -65.6 31.4 13.4 13.1 312 312 A L H >5S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 3,-0.3 0.937 113.5 42.8 -45.5 -68.0 33.0 12.9 16.6 313 313 A V H > S+ 0 0 38 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.876 111.5 52.2 -64.1 -34.2 27.4 11.9 16.5 315 315 A W H X S+ 0 0 52 -4,-2.7 4,-1.5 -3,-0.3 -2,-0.2 0.920 112.5 44.0 -65.7 -44.4 29.7 8.9 16.5 316 316 A I H X S+ 0 0 0 -4,-2.4 4,-2.1 -5,-0.2 5,-0.2 0.927 111.2 55.3 -65.4 -44.9 30.1 8.8 20.2 317 317 A T H X S+ 0 0 45 -4,-2.5 4,-1.7 -5,-0.3 -2,-0.2 0.892 104.8 52.2 -56.6 -44.9 26.3 9.4 20.8 318 318 A K H < S+ 0 0 163 -4,-2.0 -1,-0.2 1,-0.2 4,-0.2 0.922 112.8 45.2 -59.9 -42.9 25.3 6.5 18.6 319 319 A R H < S+ 0 0 116 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.810 124.4 28.7 -72.8 -30.4 27.5 4.1 20.6 320 320 A V H >X S+ 0 0 4 -4,-2.1 3,-1.9 1,-0.1 4,-0.9 0.447 83.6 96.8-115.8 4.0 26.7 5.2 24.1 321 321 A S T 3< S+ 0 0 66 -4,-1.7 -1,-0.1 1,-0.3 -3,-0.1 0.656 75.2 73.3 -68.4 -10.8 23.1 6.6 24.2 322 322 A F T 34 S+ 0 0 166 -4,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.711 97.6 50.4 -72.7 -16.9 21.9 3.2 25.4 323 323 A I T <4 S- 0 0 29 -3,-1.9 -27,-0.4 1,-0.4 -2,-0.2 0.888 131.3 -42.2 -84.6 -45.3 23.6 4.1 28.7 324 324 A A S < S- 0 0 8 -4,-0.9 -1,-0.4 -29,-0.1 -26,-0.1 -0.936 74.8 -67.1-176.7 159.7 22.0 7.5 29.2 325 325 A P - 0 0 77 0, 0.0 -26,-2.2 0, 0.0 2,-0.5 -0.220 51.9-122.0 -59.1 151.5 21.1 10.6 27.1 326 326 A V E -l 299 0D 32 -28,-0.2 2,-0.4 -26,-0.1 -26,-0.2 -0.851 23.4-168.5-103.5 131.7 24.1 12.7 25.8 327 327 A L E -l 300 0D 36 -28,-2.8 -26,-2.7 -2,-0.5 2,-0.6 -0.961 10.9-147.0-119.0 133.4 24.6 16.3 26.7 328 328 A V E +l 301 0D 61 -2,-0.4 -26,-0.2 -28,-0.2 -28,-0.1 -0.894 20.9 170.3-106.7 118.6 27.2 18.5 24.9 329 329 A F E -l 302 0D 49 -28,-2.8 -26,-0.7 -2,-0.6 -23,-0.1 -0.673 27.0-154.0-124.3 72.8 28.9 21.3 26.9 330 330 A P E -l 303 0D 61 0, 0.0 -26,-0.2 0, 0.0 2,-0.1 0.030 47.4 -6.2 -49.8 147.4 31.7 22.5 24.5 331 331 A G B S-M 303 0D 17 -28,-1.5 -28,-1.0 -148,-0.1 2,-0.2 -0.340 71.8-113.1 72.7-147.1 35.0 24.2 25.5 332 332 A S - 0 0 70 -30,-0.1 2,-0.6 -29,-0.1 -1,-0.1 -0.665 6.5-144.1 170.2 134.1 35.9 25.3 29.1 333 333 A N > + 0 0 82 -2,-0.2 4,-2.1 1,-0.2 5,-0.1 -0.824 17.9 175.5-115.6 92.2 36.5 28.6 30.8 334 334 A E H > S+ 0 0 56 -2,-0.6 4,-2.4 2,-0.2 5,-0.2 0.887 79.6 52.9 -62.4 -41.4 39.3 28.3 33.4 335 335 A E H > S+ 0 0 17 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.974 112.8 42.3 -58.3 -57.6 39.3 32.0 34.3 336 336 A K H > S+ 0 0 112 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.874 113.2 55.7 -57.0 -39.3 35.6 32.2 35.1 337 337 A A H X S+ 0 0 9 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.918 110.4 43.1 -61.7 -45.4 35.8 28.8 36.9 338 338 A L H X S+ 0 0 0 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.921 114.0 49.7 -68.3 -44.6 38.6 30.0 39.3 339 339 A A H X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.883 109.5 51.3 -63.6 -38.9 37.0 33.4 40.0 340 340 A L H X S+ 0 0 41 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.876 106.2 54.6 -67.2 -36.3 33.6 31.9 40.8 341 341 A S H X S+ 0 0 2 -4,-1.4 4,-1.1 1,-0.2 -1,-0.2 0.832 110.5 46.7 -66.2 -30.5 35.1 29.4 43.2 342 342 A A H X S+ 0 0 0 -4,-1.3 4,-2.2 2,-0.2 -1,-0.2 0.792 110.1 53.2 -80.4 -29.1 36.7 32.3 45.1 343 343 A L H X S+ 0 0 2 -4,-1.6 4,-2.3 2,-0.2 6,-0.2 0.921 105.2 53.6 -71.0 -44.2 33.5 34.4 45.1 344 344 A R H <>S+ 0 0 66 -4,-2.5 5,-3.0 1,-0.2 6,-1.0 0.902 112.2 45.9 -56.5 -41.0 31.5 31.5 46.6 345 345 A V H ><5S+ 0 0 15 -4,-1.1 3,-1.1 1,-0.2 -1,-0.2 0.920 112.8 48.3 -68.0 -45.1 34.1 31.4 49.4 346 346 A L H 3<5S+ 0 0 38 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.769 112.5 50.4 -65.7 -27.0 34.1 35.1 49.9 347 347 A R T 3<5S- 0 0 97 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.459 114.5-119.6 -89.1 -3.8 30.3 35.1 49.9 348 348 A G T < 5S+ 0 0 64 -3,-1.1 -3,-0.2 -4,-0.3 -2,-0.1 0.741 81.9 119.5 72.4 23.3 30.4 32.3 52.5 349 349 A E S -f 87 0A 63 -268,-0.2 4,-2.6 1,-0.2 5,-0.3 -0.947 12.7-155.3-110.6 111.8 43.1 23.6 54.6 355 355 A Y H > S+ 0 0 0 -268,-0.7 4,-2.0 -2,-0.7 5,-0.2 0.878 89.5 56.2 -53.7 -42.9 45.7 22.0 52.4 356 356 A S H > S+ 0 0 43 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.961 116.9 30.6 -55.0 -61.9 47.9 21.0 55.4 357 357 A E H >> S+ 0 0 114 1,-0.2 4,-2.4 2,-0.2 3,-1.1 0.970 118.7 56.2 -62.8 -53.6 45.2 19.0 57.3 358 358 A E H 3X S+ 0 0 39 -4,-2.6 4,-1.3 1,-0.3 -1,-0.2 0.769 105.4 52.8 -48.7 -34.0 43.4 17.9 54.2 359 359 A S H 3X S+ 0 0 3 -4,-2.0 4,-2.3 -5,-0.3 -1,-0.3 0.836 109.2 48.6 -73.5 -35.2 46.7 16.4 52.9 360 360 A R H < S+ 0 0 71 -4,-1.5 3,-0.8 2,-0.2 -1,-0.2 0.908 113.0 46.1 -68.5 -40.3 46.0 2.3 55.4 369 369 A Y H 3< S+ 0 0 54 -4,-1.8 3,-0.3 1,-0.2 -2,-0.2 0.967 107.3 55.6 -61.3 -53.5 45.3 1.1 51.9 370 370 A L T >< S+ 0 0 62 -4,-3.3 3,-0.7 1,-0.3 -1,-0.2 0.548 78.7 99.1 -58.2 -7.7 48.9 0.8 51.0 371 371 A D G X + 0 0 98 -3,-0.8 3,-0.8 -4,-0.3 -1,-0.3 0.167 45.6 106.5 -70.4 24.2 49.3 -1.5 54.0 372 372 A G G 3 + 0 0 64 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.346 47.8 96.8 -83.0 7.6 49.1 -4.4 51.5 373 373 A I G < + 0 0 137 -3,-0.7 2,-2.8 1,-0.2 -1,-0.2 0.432 46.8 110.2 -75.1 1.1 52.8 -4.8 52.1 374 374 A L < 0 0 142 -3,-0.8 -1,-0.2 1,-0.2 -3,-0.0 -0.369 360.0 360.0 -76.6 62.9 51.8 -7.5 54.6 375 375 A R 0 0 264 -2,-2.8 -1,-0.2 0, 0.0 -2,-0.2 0.958 360.0 360.0 64.5 360.0 53.2 -10.2 52.3