==== 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 TRANSFERASE 19-APR-07 2PL5 . COMPND 2 MOLECULE: HOMOSERINE O-ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LEPTOSPIRA INTERROGANS; . AUTHOR L.LIU,M.WANG,Y.WANG,Z.WEI,H.XU,W.GONG . 362 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17643.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 228 63.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 37 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 19 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 25.7 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+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 2 0 0 0 2 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 0 1 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 PARALLEL BRIDGES PER LADDER . 3 1 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 5 A G 0 0 69 0, 0.0 2,-0.4 0, 0.0 78,-0.2 0.000 360.0 360.0 360.0 -43.4 12.5 65.0 112.4 2 6 A S - 0 0 60 74,-0.1 74,-0.1 1,-0.1 3,-0.1 -0.694 360.0-148.9 -90.4 134.8 10.5 62.0 111.1 3 7 A I - 0 0 47 -2,-0.4 2,-0.2 72,-0.4 -1,-0.1 0.687 41.2-151.5 -73.4 -19.3 9.3 61.9 107.5 4 8 A G + 0 0 20 2,-0.0 56,-2.5 58,-0.0 2,-0.3 -0.528 46.3 8.7 89.8-150.4 6.3 59.9 108.6 5 9 A I B -a 60 0A 106 54,-0.2 2,-0.4 -2,-0.2 56,-0.2 -0.549 65.4-173.9 -80.2 127.5 4.3 57.3 106.7 6 10 A I - 0 0 23 54,-3.3 2,-0.4 -2,-0.3 28,-0.1 -0.939 16.5-143.0-125.1 139.5 5.7 56.3 103.3 7 11 A E - 0 0 145 -2,-0.4 2,-0.4 26,-0.1 26,-0.4 -0.839 21.8-124.7 -95.5 138.8 4.3 54.1 100.5 8 12 A T - 0 0 39 -2,-0.4 2,-0.3 24,-0.1 24,-0.2 -0.731 32.3-154.7 -74.2 129.7 6.6 51.8 98.6 9 13 A K E -B 31 0B 104 22,-3.5 22,-2.7 -2,-0.4 2,-0.5 -0.736 5.2-142.3-109.0 159.0 6.2 52.6 94.9 10 14 A Y E -B 30 0B 139 -2,-0.3 2,-0.5 20,-0.2 20,-0.2 -0.951 8.6-167.3-129.7 111.7 6.8 50.4 91.8 11 15 A A E -B 29 0B 10 18,-2.5 18,-2.4 -2,-0.5 2,-0.4 -0.861 12.7-164.7 -95.9 125.4 8.3 51.5 88.5 12 16 A E E -B 28 0B 133 -2,-0.5 2,-0.3 16,-0.2 16,-0.2 -0.940 6.7-175.4-117.5 134.9 7.9 49.1 85.7 13 17 A F E -B 27 0B 45 14,-2.7 14,-2.9 -2,-0.4 3,-0.1 -0.893 35.1-113.7-127.7 155.7 9.8 49.1 82.4 14 18 A K S S- 0 0 164 -2,-0.3 2,-0.3 12,-0.2 -1,-0.1 0.905 84.8 -23.5 -58.9 -51.7 9.5 47.0 79.3 15 19 A E - 0 0 82 10,-0.2 2,-0.4 11,-0.2 10,-0.2 -0.985 42.5-151.3-153.9 162.3 12.9 45.3 79.5 16 20 A L E -I 24 0C 6 8,-1.9 8,-2.9 -2,-0.3 2,-0.6 -0.934 18.9-145.9-137.4 119.5 16.5 45.5 80.8 17 21 A I E -I 23 0C 95 -2,-0.4 6,-0.2 6,-0.2 2,-0.1 -0.745 23.9-141.7 -83.5 121.1 19.2 43.8 78.9 18 22 A L > - 0 0 5 4,-3.1 3,-1.7 -2,-0.6 103,-0.1 -0.427 18.8-112.6 -87.4 160.4 21.7 42.5 81.4 19 23 A N T 3 S+ 0 0 110 1,-0.3 -1,-0.1 -2,-0.1 102,-0.1 0.749 115.2 57.6 -63.0 -27.1 25.5 42.5 81.0 20 24 A N T 3 S- 0 0 87 100,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.325 122.8-101.0 -87.4 8.0 25.6 38.7 80.9 21 25 A G S < S+ 0 0 57 -3,-1.7 -2,-0.1 1,-0.3 -1,-0.0 0.036 84.9 121.4 97.7 -26.1 23.2 38.6 77.9 22 26 A S - 0 0 50 98,-0.2 -4,-3.1 -5,-0.1 2,-0.4 -0.259 52.7-137.6 -68.9 159.8 20.0 37.7 79.8 23 27 A V E -I 17 0C 72 -6,-0.2 2,-0.6 -3,-0.1 -6,-0.2 -0.973 5.6-148.7-126.1 131.7 17.0 40.0 79.6 24 28 A L E -I 16 0C 11 -8,-2.9 -8,-1.9 -2,-0.4 3,-0.1 -0.905 22.7-157.0 -93.5 117.4 14.6 41.1 82.4 25 29 A S S S+ 0 0 70 -2,-0.6 -10,-0.2 1,-0.3 2,-0.1 -0.892 78.3 13.5-144.0 106.5 11.2 41.6 80.8 26 30 A P S S- 0 0 60 0, 0.0 2,-0.5 0, 0.0 -1,-0.3 0.626 84.8-149.8 -79.0 175.4 9.5 43.4 82.4 27 31 A V E -B 13 0B 0 -14,-2.9 -14,-2.7 -2,-0.1 2,-0.4 -0.961 11.1-165.8-106.5 126.7 11.8 45.2 84.9 28 32 A V E -B 12 0B 31 -2,-0.5 73,-2.6 -16,-0.2 2,-0.4 -0.921 3.9-170.4-110.9 135.2 10.2 46.2 88.2 29 33 A I E -B 11 0B 2 -18,-2.4 -18,-2.5 -2,-0.4 2,-0.4 -0.930 9.7-154.4-127.5 106.3 11.9 48.6 90.6 30 34 A A E +B 10 0B 0 -2,-0.4 62,-2.4 -20,-0.2 2,-0.3 -0.653 30.6 160.7 -74.9 131.1 10.5 49.1 94.1 31 35 A Y E -BC 9 91B 29 -22,-2.7 -22,-3.5 -2,-0.4 2,-0.3 -0.956 30.4-150.1-148.5 161.9 11.4 52.5 95.5 32 36 A E E - C 0 90B 0 58,-2.3 58,-2.1 -2,-0.3 2,-0.3 -0.968 13.0-153.4-132.7 149.5 10.5 55.1 98.0 33 37 A T E - C 0 89B 27 -26,-0.4 2,-0.4 -2,-0.3 56,-0.2 -0.954 4.2-164.7-125.3 148.9 10.9 58.9 97.9 34 38 A Y E + C 0 88B 1 54,-2.5 54,-3.7 -2,-0.3 2,-0.2 -0.996 56.9 4.3-135.2 126.5 11.3 61.5 100.6 35 39 A G E S- C 0 87B 27 -2,-0.4 2,-0.4 52,-0.2 52,-0.2 -0.551 92.6 -59.3 96.1-165.3 10.9 65.2 100.2 36 40 A T - 0 0 118 50,-0.5 2,-0.4 47,-0.4 7,-0.0 -0.974 40.2-126.8-129.4 130.7 9.8 67.2 97.1 37 41 A L - 0 0 37 -2,-0.4 49,-0.1 1,-0.1 -2,-0.0 -0.625 31.0-120.6 -77.6 130.3 11.4 67.3 93.7 38 42 A S > - 0 0 39 -2,-0.4 3,-1.9 1,-0.1 5,-0.1 -0.267 17.1-118.7 -65.0 153.7 12.2 70.8 92.4 39 43 A S T 3 S+ 0 0 116 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.751 120.4 58.1 -66.3 -22.5 10.7 72.0 89.2 40 44 A S T 3 S- 0 0 84 1,-0.0 -1,-0.3 0, 0.0 -2,-0.1 0.430 104.4-137.6 -81.1 -3.6 14.3 72.3 88.0 41 45 A K S < S+ 0 0 91 -3,-1.9 100,-0.3 1,-0.1 99,-0.3 0.679 72.1 111.7 56.8 25.1 14.7 68.5 88.8 42 46 A N + 0 0 92 1,-0.2 -1,-0.1 97,-0.1 -3,-0.1 0.276 50.3 71.0-118.8 8.6 18.1 69.3 90.3 43 47 A N + 0 0 21 -5,-0.1 44,-2.4 100,-0.1 2,-0.3 0.041 68.9 129.4-110.5 24.5 17.8 68.6 94.1 44 48 A A E -d 87 0B 0 97,-0.3 99,-2.4 -3,-0.2 100,-1.4 -0.643 36.1-168.6 -92.3 136.8 17.5 64.8 93.9 45 49 A I E -de 88 144B 0 42,-3.0 44,-3.6 -2,-0.3 2,-0.6 -0.983 11.0-148.5-123.3 125.9 19.7 62.3 95.9 46 50 A L E -de 89 145B 0 98,-2.9 100,-2.7 -2,-0.4 2,-0.5 -0.847 9.1-157.8 -93.8 121.0 19.8 58.6 95.2 47 51 A I E -de 90 146B 0 42,-4.4 44,-0.8 -2,-0.6 2,-0.5 -0.860 5.5-156.9 -94.6 126.0 20.4 56.4 98.3 48 52 A C E -de 91 147B 1 98,-3.1 100,-0.5 -2,-0.5 103,-0.2 -0.917 16.6-133.2-104.0 126.0 21.8 53.0 97.4 49 53 A H - 0 0 5 42,-0.5 105,-0.2 -2,-0.5 2,-0.1 -0.266 9.3-126.2 -80.4 165.3 21.2 50.2 100.1 50 54 A A - 0 0 6 100,-0.2 3,-0.3 101,-0.1 99,-0.1 -0.299 46.2 -74.7 -96.7-176.5 23.5 47.7 101.6 51 55 A L S S+ 0 0 64 1,-0.3 222,-0.1 -2,-0.1 223,-0.1 0.838 132.0 33.1 -53.8 -44.2 23.2 43.9 101.9 52 56 A S S S+ 0 0 58 2,-0.0 -1,-0.3 168,-0.0 -3,-0.0 0.738 108.3 89.4 -81.3 -23.8 20.5 43.8 104.6 53 57 A G + 0 0 13 -3,-0.3 2,-0.2 1,-0.1 4,-0.1 0.191 49.7 179.7 -71.6-175.7 18.8 47.0 103.4 54 58 A D - 0 0 38 38,-0.1 37,-0.1 2,-0.1 -1,-0.1 -0.803 52.6 -62.1-159.0-160.3 16.1 47.8 100.9 55 59 A A S S+ 0 0 4 43,-0.3 2,-2.1 -2,-0.2 -23,-0.3 0.748 108.2 88.0 -70.5 -24.2 14.0 50.7 99.5 56 60 A H + 0 0 19 1,-0.2 14,-1.9 -25,-0.1 -1,-0.2 -0.476 45.8 147.9 -80.4 74.3 12.6 51.6 102.9 57 61 A A + 0 0 0 -2,-2.1 14,-2.2 12,-0.3 2,-0.3 0.586 63.0 16.5 -84.5 -14.0 15.5 53.9 104.0 58 62 A A S S+ 0 0 0 -3,-0.2 12,-0.1 12,-0.2 -1,-0.1 -0.991 98.7 8.8-156.2 158.7 13.3 56.3 106.1 59 63 A G S S- 0 0 0 -2,-0.3 10,-0.5 16,-0.3 2,-0.3 -0.152 78.7 -63.2 70.5-161.2 9.9 56.7 107.9 60 64 A Y B -a 5 0A 72 -56,-2.5 -54,-3.3 8,-0.2 3,-0.1 -0.855 14.2-150.7-128.1 156.9 7.2 54.2 108.6 61 65 A H S S+ 0 0 79 1,-0.4 2,-0.3 -2,-0.3 -1,-0.1 0.748 87.3 0.9 -94.3 -31.7 4.8 52.0 106.6 62 66 A S S > S- 0 0 43 -58,-0.1 3,-1.7 1,-0.1 -1,-0.4 -0.968 75.6-104.1-150.4 162.0 2.1 52.0 109.3 63 67 A G T 3 S+ 0 0 78 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.817 117.9 58.8 -55.1 -34.7 1.4 53.4 112.8 64 68 A S T 3 S+ 0 0 104 2,-0.0 -1,-0.3 -3,-0.0 -4,-0.0 0.494 75.6 125.0 -78.0 -6.5 2.1 50.0 114.3 65 69 A D < - 0 0 53 -3,-1.7 -5,-0.0 1,-0.1 0, 0.0 -0.245 49.2-156.4 -54.3 142.8 5.7 49.8 112.8 66 70 A K S S+ 0 0 206 1,-0.2 -1,-0.1 2,-0.1 -3,-0.0 0.534 75.3 27.9-102.7 -13.3 8.3 49.1 115.5 67 71 A K S S- 0 0 170 -8,-0.0 -1,-0.2 1,-0.0 3,-0.1 -0.990 75.5-131.8-145.8 145.2 11.3 50.5 113.7 68 72 A P - 0 0 37 0, 0.0 -8,-0.2 0, 0.0 -10,-0.1 0.066 54.3 -48.5 -78.0-162.7 11.6 53.3 111.0 69 73 A G > - 0 0 7 -10,-0.5 3,-1.7 6,-0.1 -12,-0.3 -0.245 60.5-101.0 -68.0 162.6 13.6 53.0 107.7 70 74 A W T 3 S+ 0 0 51 -14,-1.9 -13,-0.2 1,-0.3 -12,-0.2 0.600 120.9 28.5 -66.3 -16.7 17.2 51.7 107.7 71 75 A W T >> S+ 0 0 0 -14,-2.2 3,-2.1 -15,-0.1 4,-0.7 -0.085 79.4 133.7-130.7 35.1 18.8 55.2 107.5 72 76 A D T <4 + 0 0 13 -3,-1.7 3,-0.2 1,-0.3 -69,-0.1 0.711 66.0 61.1 -63.8 -26.8 16.1 57.1 109.2 73 77 A D T 34 S+ 0 0 71 271,-0.3 7,-0.4 1,-0.2 -1,-0.3 0.490 113.2 39.7 -75.1 -3.7 18.5 59.1 111.4 74 78 A Y T <4 S+ 0 0 0 -3,-2.1 7,-3.2 1,-0.2 2,-0.5 0.468 108.6 62.7-122.7 -8.2 20.0 60.5 108.2 75 79 A I E < S+j 81 0D 0 -4,-0.7 -72,-0.4 -3,-0.2 -16,-0.3 -0.968 79.0 60.0-129.3 116.3 16.9 61.1 106.1 76 80 A G E > S-j 82 0D 0 5,-1.6 3,-1.4 -2,-0.5 7,-0.9 -0.903 89.8 -27.3 156.3 177.6 14.2 63.6 107.0 77 81 A P T 3 S- 0 0 36 0, 0.0 3,-0.1 0, 0.0 5,-0.1 -0.411 131.8 -1.1 -59.0 111.7 13.3 67.2 107.9 78 82 A G T 3 S+ 0 0 42 -2,-0.4 4,-0.1 1,-0.3 -3,-0.0 0.164 108.4 120.5 93.3 -17.2 16.5 68.8 109.2 79 83 A K S < S- 0 0 40 -3,-1.4 -1,-0.3 2,-0.2 3,-0.2 -0.077 83.7 -87.3 -77.6 177.8 18.5 65.5 108.9 80 84 A S S S+ 0 0 3 -7,-0.4 2,-0.9 1,-0.3 -5,-0.2 0.822 130.2 44.1 -61.4 -39.9 21.7 65.0 106.9 81 85 A F E S-j 75 0D 0 -7,-3.2 -5,-1.6 5,-0.0 2,-0.5 -0.836 100.4-150.4 -99.4 86.0 19.7 64.1 103.7 82 86 A D E >> -j 76 0D 16 -2,-0.9 4,-3.3 -7,-0.2 3,-1.1 -0.462 21.8-167.5 -73.3 109.9 17.4 67.0 104.3 83 87 A T T 34 S+ 0 0 10 -7,-0.9 -47,-0.4 -2,-0.5 -1,-0.2 0.518 88.4 67.0 -76.2 -3.9 13.9 66.3 102.9 84 88 A N T 34 S+ 0 0 119 -8,-0.4 -1,-0.3 -5,-0.2 -2,-0.1 0.733 119.8 19.0 -77.9 -27.7 13.2 70.0 103.4 85 89 A Q T <4 S+ 0 0 115 -3,-1.1 2,-0.2 1,-0.1 -2,-0.2 0.700 123.7 52.2-108.4 -32.9 15.8 70.8 100.7 86 90 A Y < - 0 0 24 -4,-3.3 2,-0.7 -49,-0.1 -50,-0.5 -0.669 66.1-130.3-117.7 160.5 16.2 67.6 98.8 87 91 A F E -Cd 35 44B 18 -44,-2.4 -42,-3.0 -2,-0.2 2,-0.5 -0.948 35.4-158.1-105.4 107.5 14.2 64.9 97.0 88 92 A I E -Cd 34 45B 0 -54,-3.7 -54,-2.5 -2,-0.7 2,-0.4 -0.791 9.6-171.4 -97.2 129.6 15.6 61.6 98.4 89 93 A I E +Cd 33 46B 0 -44,-3.6 -42,-4.4 -2,-0.5 2,-0.3 -0.953 9.3 174.8-119.7 139.0 15.3 58.4 96.5 90 94 A C E -Cd 32 47B 0 -58,-2.1 -58,-2.3 -2,-0.4 2,-0.3 -0.985 8.2-175.1-139.6 134.7 16.0 54.8 97.5 91 95 A S E -Cd 31 48B 1 -44,-0.8 -42,-0.5 -2,-0.3 2,-0.3 -0.957 29.1-112.5-131.3 146.7 15.4 51.6 95.5 92 96 A N - 0 0 4 -62,-2.4 -62,-0.2 -2,-0.3 9,-0.1 -0.560 43.3-112.5 -70.7 132.1 15.7 47.9 96.0 93 97 A V > - 0 0 2 -2,-0.3 3,-1.9 1,-0.1 7,-0.3 -0.356 30.7-104.8 -64.3 145.2 18.4 46.3 93.9 94 98 A I T 3 S+ 0 0 2 1,-0.3 8,-0.2 32,-0.1 -1,-0.1 -0.528 116.3 41.7 -67.1 144.0 17.3 44.0 91.1 95 99 A G T 3 S+ 0 0 0 6,-3.0 178,-0.3 1,-0.3 -1,-0.3 0.153 98.5 117.2 91.1 -16.6 18.2 40.5 92.3 96 100 A G < - 0 0 4 -3,-1.9 8,-0.4 5,-0.4 -1,-0.3 0.015 66.1-135.2 -74.0-175.3 16.8 41.7 95.7 97 101 A C S S+ 0 0 27 5,-0.1 5,-0.1 6,-0.1 -1,-0.1 0.166 82.0 79.8-133.1 16.6 13.8 40.3 97.6 98 102 A K S S- 0 0 56 -5,-0.2 -43,-0.3 3,-0.1 -6,-0.1 -0.097 119.1 -51.9-122.7 34.0 11.9 43.4 98.7 99 103 A G S S+ 0 0 27 1,-0.5 2,-0.1 -3,-0.1 3,-0.1 0.046 102.9 100.4 127.9 -29.5 10.0 44.5 95.6 100 104 A S S S- 0 0 6 -7,-0.3 -1,-0.5 -71,-0.2 -71,-0.2 -0.449 91.1 -67.3 -81.1 163.1 12.3 44.8 92.6 101 105 A S S S+ 0 0 6 -73,-2.6 -6,-3.0 -9,-0.1 -5,-0.4 -0.277 83.7 125.5 -45.1 119.8 12.7 42.1 89.9 102 106 A G S > S- 0 0 1 -8,-0.2 3,-2.0 -7,-0.2 12,-0.3 -0.904 75.6 -61.5-164.8-172.5 14.3 39.2 91.6 103 107 A P T 3 S+ 0 0 1 0, 0.0 12,-3.5 0, 0.0 14,-0.2 0.688 126.5 58.6 -62.0 -20.4 14.0 35.4 92.3 104 108 A L T 3 S+ 0 0 82 -8,-0.4 -7,-0.1 9,-0.2 -3,-0.1 0.563 79.5 114.4 -85.1 -9.0 10.7 36.0 94.2 105 109 A S S < S- 0 0 38 -3,-2.0 9,-3.0 8,-0.1 2,-0.3 -0.351 80.1-104.2 -58.0 139.2 9.2 37.5 91.0 106 110 A I B -K 113 0E 122 7,-0.3 -1,-0.1 8,-0.1 -2,-0.1 -0.522 32.2-122.5 -74.4 129.6 6.4 35.4 89.7 107 111 A H > - 0 0 36 5,-3.2 4,-1.7 -2,-0.3 5,-0.1 -0.547 11.7-133.4 -73.1 131.8 7.3 33.4 86.6 108 112 A P T 4 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.600 101.7 34.7 -64.5 -10.6 5.1 34.0 83.5 109 113 A E T 4 S+ 0 0 161 3,-0.1 -3,-0.0 0, 0.0 -2,-0.0 0.819 126.6 30.0-103.7 -51.6 4.8 30.2 82.8 110 114 A T T 4 S- 0 0 70 2,-0.2 -4,-0.0 1,-0.0 0, 0.0 0.567 88.3-136.7 -89.1 -10.1 4.7 28.4 86.1 111 115 A S S < S+ 0 0 96 -4,-1.7 -5,-0.1 1,-0.2 3,-0.0 0.856 71.5 108.8 46.8 38.0 3.1 31.2 88.2 112 116 A T S S- 0 0 48 -5,-0.1 -5,-3.2 -7,-0.1 -1,-0.2 -0.883 85.6 -72.4-125.6 162.1 5.6 30.4 90.9 113 117 A P B -K 106 0E 30 0, 0.0 -7,-0.3 0, 0.0 -9,-0.2 -0.317 41.2-122.8 -54.4 135.6 8.7 32.5 92.0 114 118 A Y > + 0 0 53 -9,-3.0 3,-2.1 -12,-0.3 -10,-0.2 0.847 50.4 166.0 -40.9 -44.6 11.5 32.5 89.4 115 119 A G G > S- 0 0 5 -12,-3.5 3,-2.0 1,-0.3 88,-0.2 -0.343 70.8 -2.3 56.4-135.5 13.9 31.2 92.1 116 120 A S G 3 S+ 0 0 42 86,-0.8 -1,-0.3 1,-0.3 87,-0.1 0.435 124.4 75.7 -63.7 -2.8 17.1 29.9 90.5 117 121 A R G < S+ 0 0 86 -3,-2.1 -1,-0.3 85,-0.2 -2,-0.2 0.653 71.3 104.4 -82.1 -15.8 15.7 30.7 87.1 118 122 A F S < S- 0 0 8 -3,-2.0 2,-0.1 1,-0.1 3,-0.1 -0.390 81.0-109.9 -64.5 138.2 16.3 34.4 87.7 119 123 A P - 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0 0 6 111,-0.5 4,-2.1 -2,-0.3 5,-0.3 -0.209 34.0 -96.1 -69.5 170.4 34.9 45.1 116.6 227 231 A D H > S+ 0 0 120 79,-0.3 4,-1.6 1,-0.2 5,-0.1 0.888 126.7 45.5 -53.8 -42.4 38.2 43.5 117.5 228 232 A D H > S+ 0 0 130 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.880 113.8 46.2 -71.0 -42.5 38.0 45.0 121.0 229 233 A K H > S+ 0 0 103 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.768 112.8 50.8 -74.9 -26.2 34.3 44.1 121.7 230 234 A M H X S+ 0 0 52 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.868 111.4 47.8 -74.2 -40.8 34.8 40.5 120.4 231 235 A R H X S+ 0 0 157 -4,-1.6 4,-3.4 -5,-0.3 -2,-0.2 0.861 109.1 54.8 -66.7 -36.5 37.9 40.0 122.6 232 236 A E H < S+ 0 0 137 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.926 110.0 46.6 -61.2 -45.7 35.8 41.4 125.5 233 237 A K H < S+ 0 0 155 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.876 121.1 37.3 -60.6 -41.1 33.2 38.8 124.8 234 238 A F H >< S+ 0 0 131 -4,-2.0 3,-0.5 1,-0.2 -2,-0.2 0.766 88.1 179.9 -90.2 -25.8 35.8 36.0 124.6 235 239 A G T 3< - 0 0 30 -4,-3.4 -1,-0.2 1,-0.2 -2,-0.1 -0.221 51.7 -60.8 64.0-149.5 38.3 37.1 127.3 236 240 A R T 3 S+ 0 0 228 -4,-0.1 -1,-0.2 1,-0.1 -4,-0.0 0.306 114.2 53.5-116.8 3.1 41.4 35.1 128.1 237 241 A N S < S- 0 0 128 -3,-0.5 3,-0.1 3,-0.0 -1,-0.1 -0.994 74.1-124.0-142.8 143.6 39.8 31.8 129.1 238 242 A P - 0 0 110 0, 0.0 -2,-0.1 0, 0.0 -4,-0.0 -0.253 52.7 -72.0 -74.7 172.1 37.2 29.3 127.7 239 243 A P - 0 0 94 0, 0.0 2,-0.1 0, 0.0 4,-0.0 -0.144 46.0-106.4 -66.3 162.5 34.1 28.4 129.7 240 244 A R S S+ 0 0 229 -3,-0.1 2,-0.1 2,-0.0 6,-0.1 -0.452 84.8 6.2 -76.0 158.0 33.9 26.2 132.8 241 245 A G S S- 0 0 70 -2,-0.1 2,-0.2 4,-0.1 0, 0.0 -0.387 98.7 -57.3 73.8-141.8 32.5 22.7 132.4 242 246 A N > - 0 0 86 -2,-0.1 4,-2.0 1,-0.0 6,-0.4 -0.703 53.3 -83.3-134.4-178.2 31.6 21.1 129.1 243 247 A I T 4>S+ 0 0 112 -2,-0.2 6,-2.1 1,-0.2 5,-0.6 0.868 127.9 43.6 -61.2 -37.2 29.4 21.7 126.0 244 248 A L T >45S+ 0 0 135 4,-0.2 3,-0.9 3,-0.2 -1,-0.2 0.887 112.9 50.5 -71.4 -43.7 26.4 20.1 127.7 245 249 A S T 345S+ 0 0 79 1,-0.3 -2,-0.2 2,-0.1 -1,-0.1 0.856 107.7 49.7 -69.0 -41.5 26.8 21.9 131.1 246 250 A T T 3<5S- 0 0 58 -4,-2.0 -1,-0.3 -6,-0.1 -2,-0.1 0.420 112.7-118.0 -76.4 2.0 27.2 25.4 129.8 247 251 A D T X 5S+ 0 0 115 -3,-0.9 3,-0.7 -5,-0.2 -3,-0.2 0.642 79.7 132.4 61.2 16.7 24.0 24.8 127.8 248 252 A F T 3 < + 0 0 144 -5,-0.6 3,-0.5 -6,-0.4 -4,-0.2 0.781 63.3 65.4 -60.2 -28.9 26.4 25.4 124.8 249 253 A A T 3 S+ 0 0 51 -6,-2.1 2,-1.0 1,-0.3 3,-0.3 0.834 93.2 58.2 -62.9 -37.7 24.8 22.2 123.5 250 254 A V S < S+ 0 0 105 -3,-0.7 -1,-0.3 -7,-0.2 3,-0.2 -0.371 73.4 113.8 -91.8 54.7 21.4 23.8 123.2 251 255 A G > + 0 0 24 -2,-1.0 3,-0.8 -3,-0.5 -1,-0.2 0.227 31.8 108.1-111.6 13.7 22.6 26.6 120.8 252 256 A S G > S+ 0 0 82 -3,-0.3 3,-1.6 1,-0.2 -1,-0.1 0.924 76.8 55.8 -55.5 -48.4 20.8 25.7 117.6 253 257 A Y G > S+ 0 0 153 1,-0.3 3,-2.1 -3,-0.2 4,-0.4 0.737 86.6 79.5 -59.3 -27.1 18.4 28.7 117.9 254 258 A L G < S+ 0 0 85 -3,-0.8 -1,-0.3 1,-0.3 3,-0.2 0.520 72.4 82.8 -62.9 -5.6 21.3 31.1 118.1 255 259 A I G < S+ 0 0 28 -3,-1.6 -1,-0.3 1,-0.2 -37,-0.2 0.754 89.4 50.6 -66.9 -26.9 21.6 30.8 114.3 256 260 A Y S X S- 0 0 97 -3,-2.1 3,-1.5 -4,-0.1 -1,-0.2 0.644 100.1-143.3 -87.6 -17.8 18.8 33.4 113.9 257 261 A Q T 3 - 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