==== 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 HYDROLASE/HYDROLASE INHIBITOR 29-NOV-00 1GA1 . COMPND 2 MOLECULE: SERINE-CARBOXYL PROTEINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS SP.; . AUTHOR Z.DAUTER,M.LI,A.WLODAWER . 373 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13112.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 266 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 11.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 37 9.9 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 . 3 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 27 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 24.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.6 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 1 0 1 0 0 0 1 1 0 2 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 2 2 1 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 PARALLEL BRIDGES PER LADDER . 4 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 3 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 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 G 0 0 62 0, 0.0 2,-0.3 0, 0.0 206,-0.3 0.000 360.0 360.0 360.0 143.0 39.0 12.1 36.3 2 4 A T B -A 206 0A 76 204,-3.3 204,-1.9 2,-0.0 2,-0.6 -0.918 360.0-112.1-135.2 162.8 35.2 11.5 35.8 3 5 A A + 0 0 56 -2,-0.3 2,-0.3 202,-0.2 265,-0.1 -0.826 53.0 130.7 -97.2 120.0 32.6 11.3 33.0 4 6 A K - 0 0 90 -2,-0.6 200,-0.1 200,-0.4 2,-0.1 -0.961 55.9 -85.1-156.2 166.8 30.0 14.1 33.0 5 7 A G - 0 0 13 -2,-0.3 2,-0.4 263,-0.1 265,-0.2 -0.391 41.3-148.5 -74.5 162.6 28.4 16.6 30.6 6 8 A H B -i 270 0B 0 263,-2.4 265,-2.5 -2,-0.1 5,-0.0 -0.988 15.0-121.1-137.1 137.0 30.0 20.0 29.9 7 9 A N > - 0 0 61 -2,-0.4 3,-2.6 263,-0.2 4,-0.5 -0.546 33.1-121.4 -64.5 140.9 28.8 23.5 29.0 8 10 A P G > S+ 0 0 2 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.815 112.3 66.0 -52.7 -32.5 30.3 24.5 25.7 9 11 A T G 3 S+ 0 0 50 1,-0.3 4,-0.3 2,-0.1 -2,-0.0 0.633 93.6 62.7 -67.5 -10.0 32.0 27.5 27.4 10 12 A E G X> S+ 0 0 56 -3,-2.6 4,-2.2 1,-0.2 3,-0.7 0.664 78.6 84.2 -81.9 -21.8 34.1 24.9 29.3 11 13 A F H <> S+ 0 0 0 -3,-1.4 4,-2.3 -4,-0.5 6,-0.2 0.875 83.1 59.3 -58.2 -35.0 35.8 23.5 26.1 12 14 A P H 34>S+ 0 0 9 0, 0.0 5,-3.1 0, 0.0 6,-0.9 0.906 109.8 41.9 -59.9 -36.9 38.5 26.2 26.1 13 15 A T H X45S+ 0 0 79 -3,-0.7 3,-1.0 -4,-0.3 199,-0.3 0.913 113.0 54.0 -78.0 -33.8 39.7 25.3 29.6 14 16 A I H 3<5S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.2 198,-0.2 0.916 117.7 35.7 -58.5 -44.7 39.5 21.6 28.8 15 17 A Y T 3<5S- 0 0 0 -4,-2.3 341,-2.6 -5,-0.2 342,-0.3 0.132 115.3-111.3-103.5 21.2 41.6 21.9 25.7 16 18 A D T < 5S+ 0 0 69 -3,-1.0 341,-0.7 339,-0.2 -3,-0.2 0.838 81.2 121.8 60.2 39.6 43.9 24.7 27.1 17 19 A A > < + 0 0 0 -5,-3.1 3,-2.0 -6,-0.2 -4,-0.2 0.422 36.7 97.9-104.0 -3.8 42.7 27.5 24.8 18 20 A S T 3 S+ 0 0 66 -6,-0.9 -1,-0.1 1,-0.3 -5,-0.1 0.691 81.6 53.3 -72.1 -15.0 41.5 30.0 27.4 19 21 A S T 3 S+ 0 0 127 -7,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.441 96.7 87.5 -90.6 -0.8 44.7 32.1 27.2 20 22 A A S < S- 0 0 20 -3,-2.0 278,-0.1 1,-0.2 337,-0.1 -0.567 91.8 -88.0 -93.1 157.9 44.4 32.4 23.5 21 23 A P - 0 0 71 0, 0.0 280,-0.2 0, 0.0 -1,-0.2 -0.214 45.8-116.9 -54.7 154.5 42.5 35.1 21.5 22 24 A T - 0 0 51 69,-0.1 3,-0.4 278,-0.1 69,-0.2 -0.263 28.9-100.2 -80.8 177.9 38.9 34.4 20.8 23 25 A A E > S+b 94 0A 0 67,-1.5 3,-2.5 70,-1.0 72,-1.2 0.137 80.0 125.2 -87.0 24.9 37.5 34.0 17.3 24 26 A A E 3 S+ 0 0 40 1,-0.3 -1,-0.2 70,-0.3 70,-0.2 0.734 76.1 46.1 -56.7 -24.4 36.0 37.5 17.3 25 27 A N E 3 S+ 0 0 103 -3,-0.4 2,-0.4 68,-0.1 -1,-0.3 0.197 100.7 80.7-106.5 16.5 37.9 38.3 14.1 26 28 A T E < - 0 0 0 -3,-2.5 69,-2.2 99,-0.0 70,-0.7 -0.978 67.6-139.6-125.8 133.5 37.0 35.1 12.2 27 29 A T E -b 96 0A 11 -2,-0.4 99,-2.3 97,-0.3 100,-1.0 -0.743 22.1-162.7 -89.7 134.6 33.9 34.3 10.3 28 30 A V E -bc 97 127A 0 68,-2.5 70,-2.7 -2,-0.4 2,-0.3 -0.934 2.8-153.8-121.4 138.7 32.6 30.7 10.7 29 31 A G E -bc 98 128A 0 98,-2.6 100,-2.8 -2,-0.4 2,-0.4 -0.810 3.1-161.4-110.4 156.5 30.2 28.7 8.6 30 32 A I E -bc 99 129A 0 68,-2.6 70,-2.5 -2,-0.3 2,-0.5 -0.995 15.2-140.0-132.9 126.0 27.9 25.8 9.4 31 33 A I E +b 100 0A 0 98,-2.5 100,-0.4 -2,-0.4 2,-0.3 -0.760 30.2 178.6 -83.3 128.8 26.4 23.5 6.7 32 34 A T E -b 101 0A 0 68,-2.5 70,-2.7 -2,-0.5 2,-0.6 -0.866 33.4-128.0-125.3 161.0 22.8 22.6 7.5 33 35 A I E S-b 102 0A 61 -2,-0.3 39,-0.4 68,-0.2 70,-0.1 -0.960 82.4 -24.2-104.9 112.2 20.0 20.6 5.8 34 36 A G S S- 0 0 0 68,-2.0 37,-0.2 -2,-0.6 68,-0.2 -0.284 105.3 -18.6 77.8-164.9 17.1 22.9 5.7 35 37 A G B -k 71 0C 2 35,-2.1 37,-0.5 66,-0.1 -2,-0.1 -0.043 35.6-152.2 -81.3 174.2 16.3 25.9 7.9 36 38 A V > + 0 0 3 33,-0.2 4,-2.3 35,-0.1 5,-0.2 -0.039 49.9 126.3-135.8 28.5 17.6 27.1 11.3 37 39 A S H > S+ 0 0 82 2,-0.2 4,-1.2 1,-0.2 5,-0.1 0.955 84.8 37.1 -64.4 -48.1 14.7 29.2 12.7 38 40 A Q H > S+ 0 0 51 1,-0.2 4,-2.7 2,-0.2 3,-0.5 0.935 112.9 60.0 -66.3 -38.3 14.5 27.3 16.0 39 41 A T H > S+ 0 0 0 1,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.873 102.5 52.4 -55.1 -39.7 18.3 26.9 16.1 40 42 A L H X S+ 0 0 46 -4,-2.3 4,-1.7 2,-0.2 -1,-0.3 0.852 109.4 48.5 -68.4 -33.4 18.6 30.7 16.1 41 43 A Q H X S+ 0 0 128 -4,-1.2 4,-2.1 -3,-0.5 -2,-0.2 0.919 112.0 49.7 -66.5 -43.3 16.2 30.9 19.1 42 44 A D H X S+ 0 0 1 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.834 108.2 53.8 -63.3 -34.9 18.2 28.2 20.8 43 45 A L H X S+ 0 0 5 -4,-2.3 4,-2.9 -5,-0.2 5,-0.3 0.892 107.4 50.2 -67.9 -39.6 21.4 30.2 20.1 44 46 A Q H X S+ 0 0 100 -4,-1.7 4,-2.5 2,-0.2 5,-0.3 0.889 109.5 51.3 -63.0 -41.9 19.9 33.3 21.7 45 47 A Q H X S+ 0 0 63 -4,-2.1 4,-2.9 1,-0.2 5,-0.2 0.937 111.6 49.7 -57.8 -46.8 19.0 31.2 24.8 46 48 A F H X S+ 0 0 2 -4,-2.4 4,-2.1 2,-0.2 6,-0.2 0.952 114.2 40.6 -58.2 -54.4 22.6 29.9 24.8 47 49 A T H <>S+ 0 0 1 -4,-2.9 5,-2.5 1,-0.2 4,-0.5 0.943 118.6 47.7 -66.6 -40.9 24.4 33.3 24.6 48 50 A S H ><5S+ 0 0 66 -4,-2.5 3,-1.3 -5,-0.3 -1,-0.2 0.939 111.0 49.3 -64.9 -44.9 21.9 35.0 26.9 49 51 A A H 3<5S+ 0 0 61 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.891 114.1 47.2 -61.0 -36.2 22.0 32.2 29.6 50 52 A N T 3<5S- 0 0 51 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.438 112.7-119.2 -87.1 2.4 25.8 32.3 29.5 51 53 A G T < 5 + 0 0 67 -3,-1.3 2,-0.2 -4,-0.5 -3,-0.2 0.751 63.3 147.8 69.6 25.1 26.0 36.1 29.7 52 54 A L < - 0 0 47 -5,-2.5 -1,-0.2 -6,-0.2 3,-0.1 -0.580 57.0 -95.8 -93.8 154.8 27.7 36.3 26.4 53 55 A A - 0 0 79 39,-0.2 -1,-0.1 -2,-0.2 -3,-0.0 -0.294 56.1 -93.9 -57.6 146.1 27.6 39.0 23.8 54 56 A S - 0 0 82 1,-0.1 2,-0.4 -3,-0.1 -1,-0.1 -0.284 38.6-118.2 -64.5 151.1 25.0 38.1 21.1 55 57 A V - 0 0 24 -3,-0.1 2,-0.6 38,-0.1 -1,-0.1 -0.758 17.2-127.9 -92.3 131.5 26.3 36.4 18.0 56 58 A N - 0 0 89 -2,-0.4 41,-2.6 38,-0.4 2,-0.3 -0.699 38.9-176.3 -77.9 119.7 26.0 38.0 14.5 57 59 A T E -d 97 0A 41 -2,-0.6 2,-0.3 39,-0.2 41,-0.2 -0.823 19.5-173.1-119.3 156.2 24.3 35.4 12.3 58 60 A Q E -d 98 0A 100 39,-2.0 41,-2.8 -2,-0.3 2,-0.4 -0.983 12.3-149.2-141.5 145.9 23.3 35.1 8.7 59 61 A T E -d 99 0A 69 -2,-0.3 2,-0.5 39,-0.2 41,-0.2 -0.937 12.3-162.1-115.9 139.2 21.3 32.4 6.9 60 62 A I E -d 100 0A 35 39,-2.9 41,-2.5 -2,-0.4 2,-0.7 -0.980 15.7-145.3-128.6 119.7 22.0 31.6 3.3 61 63 A Q E -d 101 0A 106 -2,-0.5 41,-0.1 39,-0.2 39,-0.1 -0.744 20.1-173.7 -77.0 116.8 19.6 29.7 1.0 62 64 A T + 0 0 7 39,-2.0 -1,-0.1 -2,-0.7 40,-0.1 0.531 59.4 39.7 -95.4 -6.0 22.2 27.8 -1.2 63 65 A G S S- 0 0 19 1,-0.4 -2,-0.1 38,-0.3 4,-0.1 -0.146 109.0 -16.6-117.7-149.3 19.9 26.3 -3.7 64 66 A S > - 0 0 58 1,-0.1 3,-1.6 -2,-0.1 -1,-0.4 -0.204 53.9-130.3 -54.9 147.2 16.8 27.3 -5.7 65 67 A S T 3 S+ 0 0 98 1,-0.3 -1,-0.1 -3,-0.1 -3,-0.0 0.711 114.2 53.3 -73.8 -18.2 15.0 30.4 -4.4 66 68 A N T 3 S+ 0 0 144 2,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.225 92.5 120.6 -92.0 6.6 11.9 28.3 -4.6 67 69 A G S < S- 0 0 18 -3,-1.6 2,-0.9 1,-0.1 36,-0.0 -0.079 73.6 -97.2 -76.3 176.5 13.5 25.6 -2.5 68 70 A D + 0 0 62 1,-0.1 36,-2.5 2,-0.0 38,-0.1 -0.797 46.6 158.1 -99.1 105.0 12.5 24.1 0.8 69 71 A Y + 0 0 25 -2,-0.9 -33,-0.2 34,-0.2 -1,-0.1 0.028 27.5 138.5-114.5 25.1 14.3 25.7 3.6 70 72 A S - 0 0 64 -36,-0.1 -35,-2.1 1,-0.1 2,-0.2 -0.221 64.4 -88.3 -62.5 156.2 11.8 24.8 6.3 71 73 A D B -k 35 0C 51 -37,-0.2 2,-0.6 1,-0.0 -1,-0.1 -0.527 27.9-143.1 -68.4 134.0 13.2 23.6 9.6 72 74 A D > - 0 0 67 -37,-0.5 4,-1.8 -39,-0.4 -39,-0.1 -0.893 16.6-146.0 -87.6 119.5 13.9 20.0 10.0 73 75 A Q H >> S+ 0 0 138 -2,-0.6 4,-0.7 1,-0.2 3,-0.5 0.950 96.6 39.2 -60.5 -51.6 12.9 19.4 13.6 74 76 A Q H >> S+ 0 0 167 1,-0.2 3,-1.1 2,-0.2 4,-0.9 0.909 111.1 62.8 -64.7 -34.3 15.5 16.8 14.5 75 77 A G H >> S+ 0 0 9 1,-0.3 4,-2.4 2,-0.2 3,-0.6 0.844 89.2 67.9 -57.6 -35.8 18.0 18.8 12.5 76 78 A Q H S+ 0 0 0 -4,-2.3 5,-2.8 -5,-0.2 6,-0.4 0.912 116.1 46.4 -65.5 -41.3 30.8 29.7 20.0 88 90 A G H ><5S+ 0 0 1 -4,-2.5 3,-1.7 -5,-0.2 -1,-0.2 0.960 114.6 45.7 -62.2 -48.9 31.7 28.1 23.3 89 91 A S H 3<5S+ 0 0 0 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.845 106.3 61.9 -65.0 -30.1 35.0 26.6 22.0 90 92 A A T 3<5S- 0 0 0 -4,-2.5 -67,-1.5 -5,-0.2 -1,-0.3 0.521 125.8 -99.8 -69.7 -7.8 35.8 29.9 20.3 91 93 A G T < 5S- 0 0 32 -3,-1.7 -3,-0.2 -4,-0.3 -2,-0.1 0.613 71.3 -59.6 93.0 17.9 35.9 31.7 23.6 92 94 A G S - 0 0 11 8,-0.4 3,-1.0 -2,-0.3 -34,-0.2 -0.554 20.0-154.0 -68.0 124.5 17.6 22.9 -0.1 104 106 A Q T 3 S+ 0 0 57 -36,-2.5 -1,-0.1 -2,-0.4 -35,-0.1 0.552 91.8 51.6 -82.3 -6.8 15.5 19.9 1.0 105 107 A S T 3 S+ 0 0 79 -37,-0.1 -1,-0.2 2,-0.0 3,-0.1 0.189 81.5 126.0-112.1 12.5 13.7 19.6 -2.3 106 108 A A S < S- 0 0 23 -3,-1.0 5,-0.2 -38,-0.1 6,-0.1 -0.364 70.4 -89.9 -70.3 153.1 16.8 19.6 -4.5 107 109 A S S > S- 0 0 87 3,-0.1 3,-2.6 2,-0.1 4,-0.3 -0.271 80.5 -37.0 -63.4 142.1 17.3 16.8 -7.0 108 110 A G T 3 S- 0 0 70 1,-0.3 3,-0.3 2,-0.1 -2,-0.1 -0.179 121.2 -28.2 48.1-127.0 19.2 13.7 -5.9 109 111 A N T 3> S+ 0 0 63 1,-0.2 4,-1.3 33,-0.1 3,-0.3 0.123 108.0 108.2-103.0 18.2 22.1 14.6 -3.5 110 112 A T H <> + 0 0 54 -3,-2.6 4,-2.6 1,-0.2 5,-0.2 0.686 59.0 74.8 -79.1 -13.5 22.5 18.1 -5.0 111 113 A G H > S+ 0 0 7 -3,-0.3 4,-1.4 -4,-0.3 -8,-0.4 0.966 104.0 36.7 -57.4 -54.8 21.1 20.0 -2.0 112 114 A L H > S+ 0 0 31 -3,-0.3 4,-2.4 2,-0.2 5,-0.2 0.899 113.8 57.8 -68.2 -39.8 24.1 19.5 0.1 113 115 A T H X S+ 0 0 25 -4,-1.3 4,-2.6 1,-0.2 -1,-0.2 0.932 106.7 48.7 -56.3 -46.3 26.5 19.8 -2.8 114 116 A Q H X S+ 0 0 69 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.812 108.1 55.1 -63.7 -33.0 25.1 23.2 -3.6 115 117 A A H X S+ 0 0 0 -4,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.932 110.4 44.8 -66.8 -47.5 25.5 24.2 0.1 116 118 A F H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 5,-0.2 0.938 113.2 52.7 -56.9 -45.9 29.2 23.3 0.0 117 119 A N H X S+ 0 0 82 -4,-2.6 4,-2.9 -5,-0.2 5,-0.2 0.895 107.1 50.3 -60.6 -41.4 29.6 25.1 -3.3 118 120 A Q H X S+ 0 0 55 -4,-2.3 4,-2.7 1,-0.2 5,-0.3 0.909 108.6 52.4 -66.6 -39.5 28.1 28.3 -2.0 119 121 A A H X S+ 0 0 0 -4,-1.9 4,-1.4 1,-0.2 5,-0.5 0.891 115.6 41.3 -61.9 -38.4 30.4 28.3 1.1 120 122 A V H < S+ 0 0 4 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.910 114.9 49.4 -75.2 -42.3 33.4 27.9 -1.2 121 123 A S H < S+ 0 0 85 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.930 113.0 47.0 -62.5 -45.2 32.2 30.4 -3.9 122 124 A D H < S- 0 0 64 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.880 86.2-166.5 -64.8 -40.3 31.4 33.1 -1.4 123 125 A N < + 0 0 74 -4,-1.4 -3,-0.1 -5,-0.3 -4,-0.1 0.881 48.7 117.8 54.0 47.2 34.8 32.5 0.4 124 126 A V + 0 0 83 -5,-0.5 2,-0.4 1,-0.1 -97,-0.3 0.710 54.1 71.7-107.3 -34.3 33.8 34.6 3.4 125 127 A A - 0 0 1 -6,-0.4 -97,-0.2 1,-0.1 3,-0.1 -0.700 60.2-163.3 -86.8 130.0 34.0 31.9 6.1 126 128 A K S S+ 0 0 42 -99,-2.3 35,-2.4 -2,-0.4 2,-0.4 0.805 80.9 27.3 -78.1 -31.7 37.5 30.9 7.0 127 129 A V E S-ce 28 161A 0 -100,-1.0 -98,-2.6 33,-0.2 2,-0.4 -0.995 71.2-167.5-134.4 136.7 36.4 27.7 8.8 128 130 A I E -ce 29 162A 0 33,-2.6 35,-2.7 -2,-0.4 2,-0.4 -0.996 12.4-140.5-133.4 127.6 33.2 25.7 8.0 129 131 A N E -ce 30 163A 0 -100,-2.8 -98,-2.5 -2,-0.4 2,-0.4 -0.741 13.7-174.8 -88.0 137.6 31.6 22.9 10.1 130 132 A V E + e 0 164A 0 33,-2.6 35,-2.1 -2,-0.4 2,-0.4 -0.904 10.1 171.5-129.9 96.7 30.1 19.8 8.5 131 133 A S + 0 0 3 -100,-0.4 2,-0.3 -2,-0.4 154,-0.1 -0.369 55.1 95.0 -97.4 45.0 28.4 17.5 11.0 132 134 A L + 0 0 26 -2,-0.4 2,-0.3 33,-0.1 59,-0.2 -0.950 44.3 151.6-134.1 147.8 27.0 15.4 8.2 133 135 A G - 0 0 31 -2,-0.3 2,-0.3 57,-0.1 33,-0.1 -0.980 15.3-175.2-169.9 165.3 28.2 12.2 6.6 134 136 A W E -L 189 0D 57 55,-1.9 55,-3.2 -2,-0.3 40,-0.1 -0.976 52.1 -55.6-161.0 164.7 27.2 9.1 4.8 135 137 A a E >> -L 188 0D 7 38,-0.3 4,-2.1 -2,-0.3 3,-0.9 -0.196 44.2-142.3 -47.7 123.1 28.8 5.9 3.4 136 138 A E H 3> S+ 0 0 4 51,-2.4 4,-2.2 1,-0.3 -1,-0.2 0.818 99.8 58.0 -64.8 -28.4 31.6 7.0 1.0 137 139 A A H 3> S+ 0 0 35 50,-0.3 4,-1.7 2,-0.2 -1,-0.3 0.820 106.6 48.7 -69.2 -31.2 30.8 4.1 -1.4 138 140 A D H <> S+ 0 0 90 -3,-0.9 4,-0.9 2,-0.2 6,-0.3 0.908 111.9 48.5 -73.2 -43.1 27.2 5.4 -1.7 139 141 A A H <>S+ 0 0 0 -4,-2.1 6,-2.1 1,-0.2 5,-1.0 0.879 113.8 48.2 -60.0 -37.3 28.5 8.9 -2.3 140 142 A N H ><5S+ 0 0 62 -4,-2.2 3,-1.4 -5,-0.2 -1,-0.2 0.875 101.0 65.7 -71.0 -35.8 30.9 7.5 -4.9 141 143 A A H 3<5S+ 0 0 83 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.732 110.2 33.5 -64.4 -30.2 28.2 5.4 -6.7 142 144 A D T 3<5S- 0 0 88 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.244 117.1-103.6-110.6 12.8 26.1 8.3 -8.0 143 145 A G T <>5S+ 0 0 33 -3,-1.4 4,-2.0 -4,-0.2 5,-0.2 0.412 86.8 120.9 84.2 1.6 29.0 10.7 -8.5 144 146 A T H > S+ 0 0 8 -6,-2.1 4,-2.8 1,-0.2 5,-0.2 0.967 108.9 45.7 -56.6 -51.8 31.9 12.2 -4.1 146 148 A Q H > S+ 0 0 135 -7,-0.3 4,-1.4 1,-0.2 -1,-0.2 0.919 114.7 47.6 -58.4 -43.7 33.7 13.4 -7.3 147 149 A A H X S+ 0 0 27 -4,-2.0 4,-1.1 1,-0.2 -1,-0.2 0.933 115.3 44.0 -65.9 -43.5 31.6 16.5 -7.5 148 150 A E H X S+ 0 0 2 -4,-2.9 4,-2.5 -5,-0.2 5,-0.2 0.889 106.2 60.2 -73.3 -33.7 32.0 17.5 -3.9 149 151 A D H X S+ 0 0 25 -4,-2.8 4,-2.5 -5,-0.3 -1,-0.2 0.869 100.8 56.3 -61.5 -34.8 35.7 16.7 -3.8 150 152 A R H X S+ 0 0 162 -4,-1.4 4,-1.9 -5,-0.2 -1,-0.2 0.898 108.5 48.2 -60.1 -39.0 36.2 19.3 -6.5 151 153 A I H X S+ 0 0 15 -4,-1.1 4,-2.2 -3,-0.2 -2,-0.2 0.939 112.2 46.8 -67.2 -48.4 34.5 21.9 -4.3 152 154 A F H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.854 108.1 57.4 -65.1 -33.0 36.6 20.9 -1.2 153 155 A A H X S+ 0 0 39 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.925 107.3 47.7 -59.6 -44.6 39.7 21.1 -3.3 154 156 A T H X S+ 0 0 70 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.923 110.9 53.0 -60.5 -43.1 38.9 24.7 -4.3 155 157 A A H <>S+ 0 0 0 -4,-2.2 5,-2.6 1,-0.2 4,-0.5 0.954 110.0 45.8 -57.3 -52.1 38.3 25.4 -0.6 156 158 A A H ><5S+ 0 0 11 -4,-2.8 3,-1.3 1,-0.2 152,-0.6 0.927 111.0 53.3 -60.4 -43.4 41.6 24.1 0.6 157 159 A A H 3<5S+ 0 0 94 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.856 109.9 47.8 -60.8 -35.1 43.5 25.9 -2.2 158 160 A Q T 3<5S- 0 0 73 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.406 123.8-101.3 -93.1 9.2 42.0 29.2 -1.2 159 161 A G T < 5S+ 0 0 8 -3,-1.3 2,-0.3 -4,-0.5 -3,-0.2 0.620 74.2 137.4 93.3 10.2 42.7 28.7 2.5 160 162 A Q < - 0 0 0 -5,-2.6 2,-0.6 -6,-0.2 -1,-0.3 -0.714 42.7-144.1 -89.0 143.7 39.4 27.6 3.8 161 163 A T E -e 127 0A 0 -35,-2.4 -33,-2.6 -2,-0.3 2,-0.5 -0.939 9.4-165.5-111.0 110.5 39.2 24.8 6.4 162 164 A F E -e 128 0A 1 -2,-0.6 35,-3.0 33,-0.4 2,-0.5 -0.828 8.8-159.4 -84.9 130.1 36.2 22.4 6.2 163 165 A S E -ef 129 197A 0 -35,-2.7 -33,-2.6 -2,-0.5 2,-0.4 -0.971 11.1-169.8-111.5 127.3 36.0 20.3 9.4 164 166 A V E -ef 130 198A 0 33,-2.8 35,-2.7 -2,-0.5 -33,-0.2 -0.976 25.2-117.4-130.8 128.6 34.0 17.2 9.0 165 167 A S E - f 0 199A 5 -35,-2.1 26,-0.3 -2,-0.4 35,-0.2 -0.365 21.8-139.3 -56.9 134.5 32.7 14.7 11.6 166 168 A S - 0 0 1 33,-2.6 22,-0.6 1,-0.2 2,-0.2 0.661 55.0 -85.2 -76.2 -17.3 34.3 11.3 11.0 167 169 A G - 0 0 5 32,-0.3 65,-2.1 65,-0.2 -1,-0.2 -0.430 16.9-122.9 127.0 160.4 31.1 9.4 11.7 168 170 A D S S+ 0 0 14 63,-0.2 62,-1.4 -2,-0.2 63,-0.1 0.244 95.3 72.7-119.7 9.2 29.0 7.9 14.6 169 171 A E B > S-m 230 0E 11 1,-0.4 3,-2.3 60,-0.2 62,-0.2 0.054 87.5-139.1-113.9 17.1 28.9 4.2 13.4 170 172 A G T 3 S- 0 0 0 60,-2.7 3,-0.4 1,-0.3 -1,-0.4 -0.272 75.3 -19.3 51.5-140.1 32.5 3.3 14.2 171 173 A V T 3 S+ 0 0 0 161,-2.0 15,-2.3 1,-0.2 3,-0.3 0.462 128.5 78.8 -72.1 -3.1 33.9 1.1 11.4 172 174 A Y B X +o 186 0F 1 -3,-2.3 6,-2.0 1,-0.2 3,-1.0 -0.154 48.3 131.5-106.2 40.0 30.4 0.2 10.2 173 175 A E T 3> S+ 0 0 4 13,-0.6 4,-0.9 -3,-0.4 -38,-0.3 0.876 75.2 43.9 -57.8 -42.7 29.5 3.3 8.3 174 176 A a T 34 S+ 0 0 46 -3,-0.3 2,-1.3 1,-0.2 -1,-0.3 0.467 89.0 91.4 -90.8 1.9 28.2 1.5 5.2 175 177 A N T <> S- 0 0 38 -3,-1.0 4,-2.3 1,-0.2 -1,-0.2 -0.587 127.8 -56.5 -91.8 77.5 26.2 -1.2 7.0 176 178 A N T 4 S- 0 0 130 -2,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.898 104.7 -59.2 51.2 40.0 22.8 0.5 7.1 177 179 A R T < S- 0 0 156 -4,-0.9 -4,-0.2 1,-0.1 -1,-0.2 0.922 123.5 -6.9 53.3 57.7 24.7 3.4 8.9 178 180 A G T 4 S+ 0 0 0 -6,-2.0 50,-2.8 1,-0.3 -2,-0.2 0.579 77.6 136.9 116.9 6.7 26.0 1.4 11.9 179 181 A Y < - 0 0 89 -4,-2.3 -1,-0.3 -7,-0.3 48,-0.2 -0.732 67.7 -96.6 -84.3 137.6 24.9 -2.2 12.4 180 182 A P - 0 0 46 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.170 42.9-179.9 -51.0 135.9 27.8 -4.4 13.4 181 183 A D > - 0 0 65 1,-0.4 3,-2.2 3,-0.2 -2,-0.0 -0.134 32.6-126.9-135.7 38.3 29.2 -6.1 10.3 182 184 A G T 3 S- 0 0 25 1,-0.3 -1,-0.4 155,-0.1 152,-0.2 -0.255 83.1 -7.1 59.5-127.8 32.1 -8.2 11.7 183 185 A S T 3 S+ 0 0 82 154,-0.1 2,-0.7 -3,-0.1 -1,-0.3 0.347 103.8 110.9 -91.9 9.2 35.3 -7.6 9.9 184 186 A T < - 0 0 80 -3,-2.2 2,-0.3 -12,-0.0 -3,-0.2 -0.768 48.5-175.9 -91.1 110.7 33.8 -5.4 7.2 185 187 A Y + 0 0 76 -2,-0.7 2,-0.3 -13,-0.1 -13,-0.2 -0.832 8.9 164.1-114.9 145.6 35.0 -1.8 7.8 186 188 A S B -o 172 0F 22 -15,-2.3 -13,-0.6 -2,-0.3 47,-0.4 -0.908 20.5-133.5-152.6 169.5 34.1 1.4 5.9 187 189 A V - 0 0 5 -2,-0.3 -51,-2.4 -15,-0.1 -50,-0.3 -0.864 20.0-103.4-135.2 166.2 34.3 5.2 6.3 188 190 A S E > -L 135 0D 1 -22,-0.6 4,-1.6 -2,-0.3 -53,-0.2 -0.657 33.7-109.2 -94.6 142.3 32.2 8.3 5.9 189 191 A W E 4 S+L 134 0D 0 -55,-3.2 -55,-1.9 -2,-0.3 -44,-0.0 -0.914 97.0 22.5-101.2 139.0 32.1 11.0 3.2 190 192 A P T >4 S+ 0 0 3 0, 0.0 3,-2.0 0, 0.0 -1,-0.2 -0.971 116.9 65.6 -89.2 11.5 33.0 13.8 3.2 191 193 A A T 34 S+ 0 0 0 -26,-0.3 -2,-0.2 1,-0.3 5,-0.2 0.822 95.9 61.7 -58.0 -32.4 35.4 13.0 6.1 192 194 A S T 3< S+ 0 0 0 -4,-1.6 -1,-0.3 43,-0.1 44,-0.2 0.571 78.9 108.4 -74.8 -6.1 37.3 10.8 3.7 193 195 A S X - 0 0 0 -3,-2.0 3,-1.0 1,-0.1 5,-0.1 -0.483 67.3-143.6 -65.4 137.2 38.2 13.7 1.4 194 196 A P T 3 S+ 0 0 21 0, 0.0 -1,-0.1 0, 0.0 116,-0.1 0.528 97.2 67.9 -74.2 -7.6 41.9 14.7 1.6 195 197 A N T 3 S+ 0 0 35 115,-0.0 -33,-0.4 2,-0.0 2,-0.3 0.252 97.4 56.6 -97.0 8.9 40.7 18.4 1.2 196 198 A V S < S- 0 0 0 -3,-1.0 2,-0.6 -5,-0.2 -33,-0.2 -0.892 85.8-110.8-132.9 162.9 39.0 18.5 4.6 197 199 A I E -f 163 0A 0 -35,-3.0 -33,-2.8 -2,-0.3 2,-0.5 -0.896 32.3-148.2 -93.1 120.9 40.0 18.0 8.3 198 200 A A E -f 164 0A 0 -2,-0.6 61,-2.5 -35,-0.2 62,-1.4 -0.825 11.1-158.7 -91.7 129.3 38.3 14.8 9.5 199 201 A V E -fg 165 260A 0 -35,-2.7 -33,-2.6 -2,-0.5 -32,-0.3 -0.953 8.3-170.5-119.0 116.7 37.5 15.0 13.3 200 202 A G E - g 0 261A 0 60,-2.5 62,-1.9 -2,-0.5 2,-0.4 -0.155 21.2 -96.0 -92.9-167.5 36.9 11.8 15.3 201 203 A G E - g 0 262A 0 147,-0.6 17,-2.1 60,-0.3 2,-0.3 -0.913 25.8-174.0-131.8 141.0 35.7 11.3 18.8 202 204 A T E - H 0 217A 0 60,-2.0 62,-2.8 -2,-0.4 63,-2.2 -0.758 30.9-120.3-120.9 165.3 36.8 10.7 22.3 203 205 A T E - 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0 0 43 -106,-0.1 -7,-1.9 -2,-0.1 2,-0.4 -0.671 47.6-136.4 -92.3 152.4 40.5 -0.7 15.1 340 342 A N B -S 331 0J 115 -2,-0.3 7,-0.4 -9,-0.2 -9,-0.2 -0.814 15.3-120.8-107.9 141.2 42.3 -0.1 18.4 341 343 A A + 0 0 14 -11,-3.0 2,-0.3 -2,-0.4 -11,-0.2 -0.338 44.8 153.0 -69.2 160.7 43.8 3.1 19.7 342 344 A G - 0 0 25 -15,-0.7 2,-0.1 2,-0.4 -13,-0.1 -0.957 47.4 -33.1-167.8-170.9 47.5 3.0 20.4 343 345 A T S S- 0 0 123 -2,-0.3 2,-0.1 -15,-0.1 -15,-0.1 -0.391 108.1 -14.5 -62.2 132.1 50.6 5.1 20.6 344 346 A G S S+ 0 0 22 -2,-0.1 -2,-0.4 7,-0.1 -17,-0.1 -0.333 122.2 7.8 74.9-154.0 50.6 7.9 18.1 345 347 A W S S+ 0 0 25 -4,-0.1 2,-0.3 -2,-0.1 6,-0.2 -0.395 72.8 172.3 -62.6 136.4 48.3 8.2 15.2 346 348 A D B > -T 350 0K 11 4,-1.4 4,-2.6 -88,-0.1 6,-0.1 -0.934 42.7-110.6-142.9 165.4 45.6 5.5 15.2 347 349 A Y T 4 S+ 0 0 36 -7,-0.4 -113,-0.3 -2,-0.3 -6,-0.1 0.840 110.9 50.2 -70.7 -33.1 42.4 4.8 13.2 348 350 A P T 4 S+ 0 0 0 0, 0.0 -147,-0.6 0, 0.0 -1,-0.2 0.890 132.8 7.9 -68.2 -35.3 39.8 5.6 15.9 349 351 A T T >4 S- 0 0 0 1,-0.3 3,-2.0 -149,-0.1 -149,-0.2 0.410 81.3-148.2-130.1 -0.8 41.2 9.0 16.8 350 352 A G B 3< S-T 346 0K 0 -4,-2.6 -4,-1.4 1,-0.3 -1,-0.3 -0.438 80.7 -15.8 61.0-131.1 44.0 10.0 14.5 351 353 A W T 3 S- 0 0 23 -92,-2.5 -1,-0.3 1,-0.3 2,-0.2 0.557 100.5-123.6 -78.3 -9.5 46.5 12.2 16.4 352 354 A G < - 0 0 0 -3,-2.0 -91,-2.2 -26,-0.2 -1,-0.3 -0.665 51.9 -25.9 95.1-159.3 44.1 12.7 19.3 353 355 A S E -R 325 0I 0 -28,-1.4 -28,-2.7 -2,-0.2 2,-0.3 -0.576 64.7-110.7 -97.4 155.8 43.0 16.1 20.6 354 356 A L E -R 324 0I 0 -30,-0.2 2,-0.8 -2,-0.2 -30,-0.2 -0.704 8.1-143.6 -86.7 138.5 44.9 19.4 20.4 355 357 A D > - 0 0 11 -32,-2.7 4,-2.5 -2,-0.3 5,-0.2 -0.899 21.3-162.1 -92.1 104.2 46.5 21.2 23.3 356 358 A I H > S+ 0 0 0 -341,-2.6 4,-2.9 -2,-0.8 5,-0.2 0.850 81.8 54.4 -69.6 -33.6 45.7 24.7 22.1 357 359 A A H > S+ 0 0 49 -341,-0.7 4,-2.0 -342,-0.3 -1,-0.2 0.932 113.4 42.6 -61.4 -44.6 48.2 26.6 24.2 358 360 A K H > S+ 0 0 106 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.905 115.2 49.6 -71.4 -36.7 51.1 24.4 23.0 359 361 A L H X S+ 0 0 1 -4,-2.5 4,-2.6 -36,-0.2 -2,-0.2 0.918 109.2 52.6 -65.1 -41.6 49.8 24.5 19.4 360 362 A S H X S+ 0 0 15 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.906 109.4 48.9 -61.1 -42.7 49.5 28.3 19.6 361 363 A A H X S+ 0 0 34 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.906 110.8 51.2 -62.9 -42.0 53.1 28.6 20.8 362 364 A Y H X S+ 0 0 50 -4,-2.2 4,-2.8 1,-0.2 5,-0.3 0.920 110.6 48.2 -57.7 -45.7 54.3 26.3 18.0 363 365 A I H X S+ 0 0 3 -4,-2.6 4,-3.0 1,-0.2 -1,-0.2 0.901 107.2 55.3 -66.0 -39.9 52.5 28.5 15.4 364 366 A R H < S+ 0 0 183 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.895 117.2 37.9 -60.6 -35.0 53.9 31.7 16.8 365 367 A S H < S+ 0 0 98 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.860 136.0 15.1 -81.6 -34.6 57.3 30.2 16.4 366 368 A N H < S- 0 0 105 -4,-2.8 -3,-0.2 1,-0.2 -2,-0.2 0.525 91.1-130.8-117.9 -8.8 56.9 28.4 13.2 367 369 A G < - 0 0 35 -4,-3.0 2,-0.3 -5,-0.3 -1,-0.2 -0.214 25.6-124.8 69.5-175.0 53.7 29.5 11.4 368 370 A F + 0 0 22 1,-0.1 -61,-0.8 -63,-0.1 -60,-0.0 -0.982 50.4 22.7-166.3 159.5 51.2 27.0 10.0 369 371 A G 0 0 15 -2,-0.3 -1,-0.1 -60,-0.2 -61,-0.1 0.258 360.0 360.0 61.8 175.3 49.3 25.8 6.9 370 372 A H 0 0 174 -62,-1.4 -1,-0.1 -214,-0.1 -64,-0.0 0.462 360.0 360.0-142.8 360.0 50.0 26.1 3.2 371 !* 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 0.0 372 1 I X 0 0 48 0, 0.0 2,-0.5 0, 0.0 -89,-0.2 0.000 360.0 360.0 360.0-114.1 23.7 13.8 17.1 373 2 I X B Q 282 0H 46 -91,-1.8 -91,-2.5 1,-0.1 -144,-0.0 -0.966 360.0 360.0-113.0 120.8 23.8 11.1 19.8 374 3 I X 0 0 80 -2,-0.5 -94,-0.2 -93,-0.2 -1,-0.1 0.544 360.0 360.0-110.0 360.0 21.3 11.7 22.6