==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 22-FEB-12 4AKF . COMPND 2 MOLECULE: VIPD; . SOURCE 2 ORGANISM_SCIENTIFIC: LEGIONELLA PNEUMOPHILA; . AUTHOR K.-H.LEE,B.KU,B.-H.OH . 560 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27280.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 404 72.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 33 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 219 39.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.0 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 2 0 0 3 2 3 0 1 1 0 1 0 0 0 3 1 1 0 0 0 0 0 0 0 1 0 RESIDUES PER ALPHA HELIX . 2 0 0 3 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 0 PARALLEL BRIDGES PER LADDER . 3 2 1 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 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 -1 A G 0 0 48 0, 0.0 2,-0.4 0, 0.0 302,-0.2 0.000 360.0 360.0 360.0 136.3 -83.7 -172.4 -29.7 2 0 A S - 0 0 54 299,-0.3 2,-0.1 301,-0.2 301,-0.1 -0.962 360.0-133.6-121.9 130.7 -83.7 -173.7 -26.1 3 1 A M > - 0 0 77 -2,-0.4 3,-1.6 1,-0.1 4,-0.3 -0.473 27.0-117.7 -74.7 151.0 -86.1 -176.3 -24.6 4 2 A K G > S+ 0 0 147 1,-0.3 3,-0.9 2,-0.2 4,-0.1 0.659 111.1 72.1 -67.1 -9.5 -87.6 -175.4 -21.2 5 3 A L G > S+ 0 0 117 1,-0.2 3,-1.5 2,-0.2 -1,-0.3 0.798 84.8 64.7 -74.1 -25.8 -85.8 -178.4 -19.8 6 4 A A G X S+ 0 0 20 -3,-1.6 3,-0.5 1,-0.3 -1,-0.2 0.607 91.1 66.6 -71.4 -11.4 -82.5 -176.6 -20.1 7 5 A E G < S+ 0 0 140 -3,-0.9 -1,-0.3 -4,-0.3 -2,-0.2 0.531 83.8 74.7 -84.9 -8.9 -83.8 -174.1 -17.5 8 6 A I G < S+ 0 0 141 -3,-1.5 -1,-0.2 -4,-0.1 -2,-0.2 0.659 74.2 101.3 -78.8 -16.4 -83.8 -176.9 -14.9 9 7 A M S < S- 0 0 101 -3,-0.5 3,-0.3 -4,-0.2 -3,-0.0 -0.415 73.1-136.0 -73.4 146.7 -80.0 -176.8 -14.5 10 8 A T S S+ 0 0 158 1,-0.3 2,-0.8 -2,-0.1 -1,-0.1 0.986 101.6 30.1 -61.6 -58.4 -78.4 -175.0 -11.6 11 9 A K S S- 0 0 183 -3,-0.0 -1,-0.3 2,-0.0 2,-0.1 -0.852 82.9-158.3-109.1 101.6 -75.8 -173.4 -13.9 12 10 A S - 0 0 63 -2,-0.8 2,-0.3 -3,-0.3 -5,-0.1 -0.405 4.4-153.4 -72.1 151.7 -77.2 -172.8 -17.4 13 11 A R - 0 0 210 -7,-0.1 -1,-0.1 -2,-0.1 -2,-0.0 -0.743 24.8-128.3-129.7 80.4 -74.6 -172.5 -20.2 14 12 A K - 0 0 157 -2,-0.3 2,-0.1 1,-0.1 -12,-0.0 0.084 20.5-141.6 -34.9 125.3 -76.2 -170.4 -22.9 15 13 A L - 0 0 103 1,-0.1 2,-0.6 -14,-0.0 -1,-0.1 -0.364 27.8 -94.5 -83.5 169.6 -76.0 -172.0 -26.3 16 14 A K + 0 0 139 -2,-0.1 2,-0.2 -15,-0.0 416,-0.1 -0.802 50.3 171.3 -93.1 125.2 -75.4 -170.0 -29.4 17 15 A R - 0 0 62 -2,-0.6 2,-0.5 414,-0.0 -3,-0.0 -0.612 31.1-117.9-118.2 178.4 -78.6 -169.1 -31.2 18 16 A N + 0 0 54 -2,-0.2 415,-0.2 1,-0.1 286,-0.1 -0.969 43.1 149.2-129.6 117.0 -79.2 -166.7 -34.1 19 17 A L + 0 0 7 413,-2.6 2,-0.3 -2,-0.5 414,-0.2 0.464 68.0 37.8-118.3 -13.0 -81.3 -163.6 -33.7 20 18 A L B -a 433 0A 0 412,-0.9 414,-1.8 14,-0.2 2,-0.2 -0.870 57.9-151.5-135.9 170.8 -79.6 -161.3 -36.2 21 19 A E E -B 33 0B 60 12,-1.4 12,-1.9 -2,-0.3 2,-0.4 -0.730 11.8-167.0-149.5 92.6 -77.9 -161.4 -39.6 22 20 A I E +B 32 0B 1 412,-0.4 414,-1.1 -2,-0.2 2,-0.3 -0.684 19.7 167.5 -83.4 128.1 -75.2 -158.8 -40.3 23 21 A S E -B 31 0B 45 8,-1.6 8,-2.3 -2,-0.4 2,-0.6 -0.917 34.1-123.2-137.9 163.0 -74.2 -158.6 -43.9 24 22 A K E -B 30 0B 65 -2,-0.3 6,-0.2 6,-0.2 414,-0.1 -0.948 28.5-137.7-114.0 119.1 -72.2 -156.3 -46.2 25 23 A T > - 0 0 52 4,-2.3 3,-0.9 -2,-0.6 389,-0.0 -0.086 22.7-116.5 -66.2 167.8 -74.1 -154.9 -49.2 26 24 A E T 3 S+ 0 0 199 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.723 120.6 66.1 -74.5 -21.7 -72.6 -154.6 -52.8 27 25 A A T 3 S- 0 0 71 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.631 122.6-112.6 -71.3 -15.3 -73.1 -150.9 -52.0 28 26 A G S < S+ 0 0 36 -3,-0.9 2,-0.2 1,-0.3 -2,-0.1 0.626 78.3 119.0 91.1 15.6 -70.4 -151.5 -49.3 29 27 A Q - 0 0 47 388,-0.1 -4,-2.3 389,-0.0 2,-0.5 -0.458 63.6-111.8-105.0-180.0 -72.7 -150.9 -46.4 30 28 A Y E -BC 24 415B 16 385,-2.2 385,-3.2 -6,-0.2 2,-0.4 -0.961 25.9-162.7-119.2 130.1 -73.8 -153.1 -43.5 31 29 A S E -BC 23 414B 5 -8,-2.3 -8,-1.6 -2,-0.5 2,-0.9 -0.944 10.7-151.8-117.7 130.9 -77.4 -154.4 -43.1 32 30 A V E +BC 22 413B 0 381,-2.4 381,-1.1 -2,-0.4 2,-0.2 -0.839 28.4 171.5-101.9 100.6 -79.0 -155.8 -40.0 33 31 A S E -B 21 0B 38 -12,-1.9 -12,-1.4 -2,-0.9 379,-0.1 -0.658 36.0-102.8-105.3 161.2 -81.6 -158.3 -41.0 34 32 A A - 0 0 4 -2,-0.2 -14,-0.2 -14,-0.2 -1,-0.1 -0.319 48.3 -94.1 -75.2 165.7 -83.7 -160.7 -39.0 35 33 A P - 0 0 8 0, 0.0 -1,-0.1 0, 0.0 -14,-0.1 -0.339 56.7 -73.1 -77.3 166.8 -82.7 -164.3 -39.0 36 34 A E - 0 0 80 -16,-0.1 2,-0.6 1,-0.1 -18,-0.1 -0.327 58.3-111.5 -56.1 137.3 -84.3 -166.8 -41.4 37 35 A H + 0 0 2 1,-0.2 271,-0.2 -3,-0.1 -1,-0.1 -0.685 40.5 172.2 -82.6 118.7 -87.9 -167.4 -40.2 38 36 A K + 0 0 62 269,-1.3 31,-3.0 -2,-0.6 32,-1.9 0.827 58.9 45.1 -91.2 -39.1 -88.3 -171.0 -38.9 39 37 A G E -de 70 308C 0 268,-1.9 270,-2.4 29,-0.2 2,-0.4 -0.843 54.3-164.4-117.9 152.2 -91.8 -170.9 -37.3 40 38 A L E -de 71 309C 0 30,-1.6 32,-2.7 -2,-0.3 2,-0.5 -0.995 7.6-168.0-130.8 122.3 -95.3 -169.6 -38.3 41 39 A V E -de 72 310C 4 268,-2.9 270,-2.2 -2,-0.4 2,-0.9 -0.940 3.8-162.9-117.2 114.5 -98.1 -169.2 -35.7 42 40 A L E -de 73 311C 0 30,-2.8 32,-1.8 -2,-0.5 270,-0.2 -0.800 17.1-143.5-102.2 101.3 -101.6 -168.5 -36.9 43 41 A S - 0 0 12 268,-2.4 270,-0.3 -2,-0.9 34,-0.3 -0.139 20.9-104.3 -59.4 151.8 -103.8 -167.2 -34.0 44 42 A G + 0 0 18 247,-0.1 31,-0.2 1,-0.1 -1,-0.1 -0.208 52.8 140.9 -73.9 166.2 -107.4 -168.1 -33.7 45 43 A G - 0 0 17 1,-0.1 2,-0.3 267,-0.1 3,-0.2 0.333 59.3-107.6 173.0 7.3 -110.3 -165.8 -34.5 46 44 A G S S- 0 0 10 1,-0.2 30,-0.6 2,-0.1 3,-0.5 -0.645 87.2 -7.7 88.8-143.6 -113.0 -167.9 -36.2 47 45 A A S > S+ 0 0 28 336,-1.0 3,-0.7 -2,-0.3 -1,-0.2 0.229 100.4 104.8 -77.3 17.3 -113.7 -167.6 -39.9 48 46 A K G > + 0 0 26 1,-0.2 3,-1.2 -3,-0.2 4,-0.4 0.324 50.5 102.1 -78.9 12.6 -111.3 -164.6 -40.3 49 47 A G G 3 + 0 0 8 -3,-0.5 -1,-0.2 1,-0.3 4,-0.2 0.357 54.7 82.3 -78.3 6.5 -109.0 -167.2 -41.9 50 48 A I G X S+ 0 0 39 -3,-0.7 3,-1.1 1,-0.2 4,-0.4 0.818 87.9 57.1 -77.3 -29.0 -109.9 -165.9 -45.3 51 49 A S T X> S+ 0 0 0 -3,-1.2 3,-1.8 1,-0.2 4,-1.3 0.877 87.2 74.1 -67.0 -38.6 -107.3 -163.2 -44.7 52 50 A Y H 3> S+ 0 0 3 -4,-0.4 4,-2.1 1,-0.3 -1,-0.2 0.713 85.4 70.3 -47.6 -20.8 -104.5 -165.7 -44.0 53 51 A L H <> S+ 0 0 4 -3,-1.1 4,-2.1 -4,-0.2 -1,-0.3 0.950 99.3 44.5 -63.9 -48.2 -104.7 -166.2 -47.8 54 52 A G H <> S+ 0 0 0 -3,-1.8 4,-2.1 -4,-0.4 -2,-0.2 0.950 111.3 53.2 -59.2 -50.5 -103.2 -162.8 -48.3 55 53 A M H X S+ 0 0 0 -4,-1.3 4,-1.9 1,-0.2 -1,-0.2 0.848 109.0 50.2 -53.1 -39.0 -100.5 -163.3 -45.6 56 54 A I H X S+ 0 0 2 -4,-2.1 4,-2.7 -5,-0.2 -1,-0.2 0.909 105.9 55.3 -68.9 -40.7 -99.5 -166.6 -47.3 57 55 A Q H X S+ 0 0 47 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.899 107.5 50.9 -58.1 -41.3 -99.2 -164.9 -50.7 58 56 A A H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.960 111.3 45.6 -60.9 -52.6 -96.8 -162.4 -49.1 59 57 A L H <>S+ 0 0 1 -4,-1.9 5,-2.2 1,-0.2 6,-0.7 0.873 112.4 54.5 -58.3 -38.4 -94.6 -165.1 -47.6 60 58 A Q H ><5S+ 0 0 92 -4,-2.7 3,-2.0 2,-0.2 -2,-0.2 0.975 110.4 42.8 -59.0 -59.5 -94.7 -166.9 -50.9 61 59 A E H 3<5S+ 0 0 128 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.894 116.6 49.3 -54.3 -43.1 -93.5 -164.0 -53.0 62 60 A R T 3<5S- 0 0 99 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.371 108.8-125.6 -80.4 4.7 -90.9 -163.2 -50.4 63 61 A G T < 5S+ 0 0 43 -3,-2.0 4,-0.3 -4,-0.1 -3,-0.2 0.704 70.9 129.4 58.1 23.7 -89.7 -166.9 -50.3 64 62 A K > < + 0 0 43 -5,-2.2 3,-0.7 -6,-0.2 -4,-0.2 0.785 58.6 64.2 -77.9 -29.6 -90.3 -167.0 -46.5 65 63 A I G > S+ 0 0 24 -6,-0.7 3,-3.3 1,-0.2 -1,-0.1 0.947 88.7 64.7 -59.7 -57.0 -92.3 -170.2 -46.5 66 64 A K G 3 S+ 0 0 125 1,-0.3 -1,-0.2 -6,-0.1 -2,-0.1 0.689 101.7 50.7 -42.5 -28.7 -89.7 -172.7 -47.8 67 65 A N G < S+ 0 0 63 -3,-0.7 -1,-0.3 -4,-0.3 2,-0.2 0.338 83.1 115.6 -99.2 11.4 -87.5 -172.2 -44.8 68 66 A L < + 0 0 7 -3,-3.3 -29,-0.2 1,-0.2 -30,-0.2 -0.569 32.5 172.1 -78.4 139.1 -90.3 -172.9 -42.3 69 67 A T + 0 0 54 -31,-3.0 168,-2.4 1,-0.3 2,-0.4 0.610 66.7 43.9-115.4 -31.1 -89.9 -176.0 -40.2 70 68 A H E -df 39 237C 48 -32,-1.9 -30,-1.6 166,-0.2 2,-0.4 -0.942 55.1-179.1-125.0 142.0 -92.8 -175.4 -37.9 71 69 A V E +df 40 238C 0 166,-2.5 168,-2.2 -2,-0.4 2,-0.3 -0.997 9.4 175.7-136.6 126.3 -96.4 -174.3 -38.3 72 70 A S E +df 41 239C 0 -32,-2.7 -30,-2.8 -2,-0.4 2,-0.3 -0.969 9.8 152.9-132.4 147.1 -98.8 -173.9 -35.4 73 71 A G E -df 42 240C 0 166,-1.1 168,-2.3 -2,-0.3 2,-0.3 -0.990 26.1-149.2-166.3 167.7 -102.3 -172.6 -35.4 74 72 A A > - 0 0 0 -32,-1.8 3,-1.7 -2,-0.3 4,-0.2 -0.964 66.6 -12.0-142.2 153.4 -105.8 -172.6 -33.9 75 73 A S T >> S- 0 0 5 195,-0.8 4,-1.4 166,-0.5 3,-1.3 -0.172 138.7 -5.2 53.9-141.8 -109.3 -172.1 -35.3 76 74 A A H 3> S+ 0 0 15 -30,-0.6 4,-2.1 1,-0.3 -1,-0.3 0.879 138.9 61.0 -47.7 -36.8 -109.2 -170.9 -38.9 77 75 A G H <> S+ 0 0 0 -3,-1.7 4,-3.1 -34,-0.3 -1,-0.3 0.887 97.5 56.6 -57.7 -42.5 -105.4 -170.7 -38.3 78 76 A A H <> S+ 0 0 0 -3,-1.3 4,-2.6 -4,-0.2 -1,-0.2 0.900 108.3 45.6 -58.0 -42.5 -105.3 -174.4 -37.6 79 77 A M H X S+ 0 0 40 -4,-1.4 4,-2.4 2,-0.2 5,-0.3 0.994 114.9 45.5 -64.6 -59.7 -106.8 -175.3 -41.0 80 78 A T H X S+ 0 0 4 -4,-2.1 4,-2.1 1,-0.3 -2,-0.2 0.909 113.3 53.6 -45.5 -48.7 -104.6 -173.0 -42.9 81 79 A A H X S+ 0 0 0 -4,-3.1 4,-2.9 -5,-0.3 -1,-0.3 0.906 108.3 47.8 -54.1 -48.7 -101.7 -174.2 -40.9 82 80 A S H X S+ 0 0 2 -4,-2.6 4,-2.4 -3,-0.3 -1,-0.2 0.866 109.2 52.6 -65.2 -37.8 -102.4 -177.9 -41.7 83 81 A I H <>S+ 0 0 4 -4,-2.4 5,-1.7 2,-0.2 -1,-0.2 0.889 113.2 45.6 -65.1 -38.1 -102.8 -177.2 -45.5 84 82 A L H ><5S+ 0 0 12 -4,-2.1 3,-1.4 -5,-0.3 -2,-0.2 0.975 113.3 50.1 -64.0 -54.9 -99.4 -175.5 -45.4 85 83 A A H 3<5S+ 0 0 0 -4,-2.9 151,-1.6 1,-0.3 -2,-0.2 0.798 99.7 63.3 -52.3 -39.1 -97.9 -178.3 -43.3 86 84 A V T 3<5S- 0 0 2 -4,-2.4 -1,-0.3 149,-0.2 149,-0.1 0.163 117.7-111.0 -78.1 21.2 -99.2 -181.0 -45.6 87 85 A G T < 5 + 0 0 8 -3,-1.4 -3,-0.2 147,-0.4 -2,-0.2 0.717 60.1 161.4 59.1 25.9 -97.0 -179.5 -48.3 88 86 A M < - 0 0 13 -5,-1.7 2,-0.4 -4,-0.2 -1,-0.1 -0.329 38.5-114.3 -71.4 160.8 -99.8 -178.2 -50.5 89 87 A D >> - 0 0 82 1,-0.1 4,-2.3 -2,-0.0 3,-1.5 -0.826 16.8-117.0-104.9 140.8 -98.8 -175.4 -53.0 90 88 A I H 3> S+ 0 0 22 -2,-0.4 4,-3.9 1,-0.3 5,-0.4 0.796 111.5 61.8 -32.8 -54.6 -100.1 -171.8 -52.9 91 89 A K H 3> S+ 0 0 143 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.916 116.3 32.3 -43.6 -51.7 -101.9 -172.1 -56.2 92 90 A D H <> S+ 0 0 30 -3,-1.5 4,-2.7 2,-0.2 -2,-0.2 0.858 114.7 58.1 -77.3 -37.3 -104.1 -174.8 -54.7 93 91 A I H X S+ 0 0 3 -4,-2.3 4,-2.0 2,-0.2 5,-0.2 0.903 110.7 45.7 -58.6 -41.0 -104.1 -173.4 -51.2 94 92 A K H X S+ 0 0 87 -4,-3.9 4,-1.9 -5,-0.2 -2,-0.2 0.970 111.2 51.2 -64.1 -54.5 -105.5 -170.2 -52.7 95 93 A K H < S+ 0 0 71 -4,-1.9 -2,-0.2 -5,-0.4 -1,-0.2 0.828 113.8 47.2 -53.0 -35.4 -108.0 -172.1 -54.7 96 94 A L H X S+ 0 0 1 -4,-2.7 4,-0.8 1,-0.1 -2,-0.2 0.998 107.9 48.8 -70.6 -70.3 -109.1 -174.0 -51.6 97 95 A I H >< S+ 0 0 31 -4,-2.0 2,-1.2 1,-0.2 3,-0.8 0.870 117.8 43.9 -34.4 -59.1 -109.6 -171.2 -49.0 98 96 A E T 3< S+ 0 0 79 -4,-1.9 -1,-0.2 -5,-0.2 3,-0.1 -0.746 116.4 42.4 -92.7 89.8 -111.7 -169.2 -51.4 99 97 A G T 34 S+ 0 0 28 -2,-1.2 2,-0.5 1,-0.4 -1,-0.2 0.261 77.4 116.4 156.5 -9.1 -113.9 -171.9 -52.9 100 98 A L << - 0 0 25 -3,-0.8 2,-2.6 -4,-0.8 -1,-0.4 -0.757 66.4-131.6 -87.6 127.2 -115.0 -174.0 -50.0 101 99 A D > + 0 0 40 -2,-0.5 3,-1.4 78,-0.3 4,-0.4 -0.492 37.7 167.7 -75.3 72.1 -118.7 -173.9 -49.4 102 100 A I T 3> S+ 0 0 65 -2,-2.6 4,-0.7 1,-0.3 -1,-0.2 0.716 73.6 67.0 -61.4 -16.9 -118.1 -173.2 -45.7 103 101 A T T 34 S+ 0 0 79 1,-0.2 -1,-0.3 -3,-0.2 3,-0.3 0.871 109.0 33.8 -69.5 -37.9 -121.8 -172.4 -45.7 104 102 A K T <4 S+ 0 0 80 -3,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.293 102.4 80.8 -98.4 6.3 -122.5 -176.1 -46.5 105 103 A L T 4 S+ 0 0 18 -4,-0.4 2,-1.5 1,-0.2 15,-0.4 0.754 75.8 79.8 -80.0 -26.5 -119.5 -177.1 -44.3 106 104 A L S < S- 0 0 39 -4,-0.7 -1,-0.2 -3,-0.3 4,-0.1 -0.623 81.3-150.8 -87.6 84.9 -121.8 -176.6 -41.3 107 105 A D - 0 0 4 -2,-1.5 3,-0.2 1,-0.1 -2,-0.1 0.123 15.9-141.8 -47.0 163.8 -123.7 -179.9 -41.3 108 106 A N S S+ 0 0 152 7,-0.1 5,-0.1 1,-0.1 -1,-0.1 0.367 82.8 99.1-109.1 -1.0 -127.2 -180.1 -39.8 109 107 A S + 0 0 51 2,-0.1 -1,-0.1 0, 0.0 6,-0.1 0.451 69.8 89.4 -64.2 -1.6 -126.4 -183.4 -38.4 110 108 A G S S- 0 0 20 -3,-0.2 2,-0.3 -4,-0.1 5,-0.2 0.235 76.1-119.4 -79.2-153.6 -125.9 -181.5 -35.2 111 109 A V S S+ 0 0 111 3,-0.7 -2,-0.1 4,-0.1 3,-0.0 -0.994 81.8 24.3-153.4 147.1 -128.3 -180.7 -32.4 112 110 A G S S- 0 0 59 -2,-0.3 -1,-0.1 1,-0.2 3,-0.1 0.842 133.0 -56.3 66.7 30.6 -129.7 -177.5 -30.9 113 111 A F S S+ 0 0 210 1,-0.2 2,-0.3 -5,-0.1 -1,-0.2 0.883 112.0 114.7 67.5 41.6 -128.9 -175.6 -34.1 114 112 A R - 0 0 85 -6,-0.1 -3,-0.7 -3,-0.0 163,-0.3 -0.992 68.7-107.9-141.0 145.2 -125.2 -176.5 -34.1 115 113 A A B -k 277 0D 3 161,-2.9 163,-2.3 -2,-0.3 -4,-0.1 -0.367 16.8-137.7 -70.8 150.6 -123.1 -178.5 -36.6 116 114 A R - 0 0 123 161,-0.2 -1,-0.1 -6,-0.1 161,-0.1 0.811 31.4-134.4 -78.1 -28.9 -121.9 -181.9 -35.4 117 115 A G S > S+ 0 0 0 -12,-0.1 4,-2.2 163,-0.0 5,-0.2 0.174 76.8 109.9 97.1 -18.0 -118.5 -181.3 -37.0 118 116 A D H > S+ 0 0 10 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.894 77.5 50.3 -58.4 -41.0 -118.2 -184.6 -38.6 119 117 A R H > S+ 0 0 12 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.953 108.9 49.1 -64.2 -51.1 -118.6 -183.2 -42.1 120 118 A F H > S+ 0 0 14 -15,-0.4 4,-2.0 1,-0.3 3,-0.3 0.932 112.3 49.9 -53.6 -46.6 -116.0 -180.5 -41.7 121 119 A R H X S+ 0 0 44 -4,-2.2 4,-2.0 1,-0.2 -1,-0.3 0.843 108.3 55.3 -61.7 -32.2 -113.6 -183.1 -40.4 122 120 A N H X S+ 0 0 0 -4,-1.6 4,-2.0 -3,-0.2 -1,-0.2 0.864 105.1 49.5 -70.7 -36.3 -114.5 -185.3 -43.4 123 121 A I H X S+ 0 0 10 -4,-2.0 4,-1.8 -3,-0.3 -1,-0.2 0.898 109.6 53.9 -68.0 -40.0 -113.6 -182.6 -46.0 124 122 A L H X S+ 0 0 2 -4,-2.0 4,-2.9 -5,-0.2 3,-0.3 0.954 107.0 50.0 -59.2 -49.0 -110.3 -182.1 -44.2 125 123 A D H X S+ 0 0 0 -4,-2.0 4,-2.8 1,-0.2 5,-0.2 0.918 108.1 53.4 -54.9 -47.4 -109.5 -185.8 -44.4 126 124 A V H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.864 112.6 46.7 -56.4 -35.5 -110.3 -185.8 -48.2 127 125 A I H X S+ 0 0 1 -4,-1.8 4,-2.9 -3,-0.3 5,-0.3 0.971 111.3 46.7 -71.6 -57.5 -107.8 -182.9 -48.5 128 126 A Y H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 5,-0.3 0.923 115.2 50.3 -50.7 -46.0 -105.0 -184.4 -46.5 129 127 A M H X S+ 0 0 5 -4,-2.8 4,-2.7 -5,-0.3 5,-0.2 0.954 110.6 47.2 -56.2 -57.1 -105.4 -187.7 -48.4 130 128 A M H X S+ 0 0 6 -4,-2.2 4,-1.4 -5,-0.2 -1,-0.2 0.917 118.4 40.7 -54.4 -47.1 -105.4 -186.0 -51.8 131 129 A Q H X S+ 0 0 12 -4,-2.9 4,-1.4 1,-0.2 -1,-0.2 0.827 116.1 48.3 -74.8 -31.0 -102.3 -183.9 -51.1 132 130 A M H X S+ 0 0 4 -4,-2.8 4,-2.6 -5,-0.3 -1,-0.2 0.829 106.1 58.7 -78.1 -28.8 -100.4 -186.6 -49.2 133 131 A K H X S+ 0 0 57 -4,-2.7 4,-1.4 -5,-0.3 -2,-0.2 0.933 103.9 51.8 -64.6 -43.0 -101.1 -189.1 -52.0 134 132 A K H < S+ 0 0 89 -4,-1.4 3,-0.5 -5,-0.2 -1,-0.2 0.928 112.4 44.9 -59.5 -44.2 -99.4 -186.8 -54.5 135 133 A H H >< S+ 0 0 15 -4,-1.4 3,-2.7 1,-0.2 4,-0.3 0.911 104.9 62.3 -65.8 -41.1 -96.3 -186.5 -52.3 136 134 A L H >< S+ 0 0 2 -4,-2.6 3,-0.8 1,-0.3 -1,-0.2 0.814 103.0 51.1 -53.1 -32.9 -96.3 -190.3 -51.6 137 135 A E T 3< S+ 0 0 109 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.457 94.3 73.0 -85.6 -0.9 -95.8 -190.8 -55.3 138 136 A S T < S+ 0 0 64 -3,-2.7 -1,-0.2 -4,-0.2 2,-0.2 0.489 76.0 104.2 -88.8 -5.2 -92.9 -188.4 -55.4 139 137 A V S < S- 0 0 29 -3,-0.8 88,-0.1 -4,-0.3 87,-0.0 -0.525 74.3-115.9 -78.5 146.2 -90.8 -191.0 -53.6 140 138 A Q - 0 0 135 86,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 -0.220 28.9 -96.3 -76.3 170.5 -88.2 -192.9 -55.6 141 139 A Q S S+ 0 0 182 1,-0.1 -1,-0.1 -2,-0.0 -2,-0.1 0.831 105.6 67.1 -55.0 -46.7 -88.0 -196.6 -56.4 142 140 A P + 0 0 78 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.935 54.1 170.3 -45.1 -81.7 -85.6 -197.8 -53.6 143 141 A I + 0 0 25 83,-0.1 83,-0.0 8,-0.0 -2,-0.0 0.963 21.6 162.9 62.2 83.1 -87.5 -197.3 -50.3 144 142 A P + 0 0 92 0, 0.0 4,-0.3 0, 0.0 0, 0.0 0.876 33.8 39.0-102.4 -80.4 -84.9 -199.1 -48.1 145 143 A P S > S- 0 0 90 0, 0.0 3,-1.9 0, 0.0 4,-0.3 0.525 124.3 -39.8 -51.1-149.5 -84.6 -199.0 -44.3 146 144 A E T 3> S+ 0 0 140 1,-0.3 4,-1.6 2,-0.2 3,-0.2 0.424 122.6 94.1 -62.0 8.9 -87.5 -198.8 -41.9 147 145 A Q H 3> S+ 0 0 42 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.490 74.5 63.2 -78.0 -2.8 -88.7 -196.5 -44.7 148 146 A Q H <> S+ 0 0 107 -3,-1.9 4,-1.6 -4,-0.3 -1,-0.2 0.838 101.1 48.8 -86.8 -38.5 -90.4 -199.6 -46.1 149 147 A M H > S+ 0 0 121 -4,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.919 114.3 45.0 -66.5 -46.0 -92.6 -199.9 -43.0 150 148 A N H X S+ 0 0 13 -4,-1.6 4,-2.4 1,-0.2 5,-0.3 0.986 110.1 53.2 -61.8 -58.3 -93.7 -196.3 -43.2 151 149 A Y H X S+ 0 0 52 -4,-1.2 4,-2.5 1,-0.2 -1,-0.2 0.851 109.9 51.6 -44.5 -39.9 -94.3 -196.3 -46.9 152 150 A G H X S+ 0 0 19 -4,-1.6 4,-2.8 2,-0.2 -1,-0.2 0.967 107.5 49.4 -64.7 -52.8 -96.6 -199.3 -46.3 153 151 A I H X S+ 0 0 29 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.927 114.9 44.4 -53.2 -50.2 -98.7 -197.7 -43.6 154 152 A L H X S+ 0 0 3 -4,-2.4 4,-2.7 2,-0.2 5,-0.4 0.977 111.8 51.8 -59.7 -56.0 -99.2 -194.5 -45.6 155 153 A K H X S+ 0 0 76 -4,-2.5 4,-1.8 -5,-0.3 -1,-0.2 0.888 112.5 48.9 -45.8 -44.1 -100.0 -196.5 -48.8 156 154 A Q H X S+ 0 0 134 -4,-2.8 4,-3.2 2,-0.2 -1,-0.2 0.899 109.4 49.6 -65.8 -44.1 -102.5 -198.5 -46.8 157 155 A K H X S+ 0 0 11 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.966 112.3 47.4 -61.4 -49.9 -104.2 -195.5 -45.2 158 156 A I H X S+ 0 0 7 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.884 111.6 53.9 -56.9 -36.4 -104.6 -193.8 -48.6 159 157 A A H X S+ 0 0 36 -4,-1.8 4,-2.7 -5,-0.4 5,-0.3 0.980 107.2 48.8 -60.6 -57.2 -105.9 -197.2 -49.8 160 158 A L H X S+ 0 0 52 -4,-3.2 4,-1.9 1,-0.2 -2,-0.2 0.903 110.5 51.8 -48.6 -50.6 -108.5 -197.3 -47.0 161 159 A Y H X S+ 0 0 1 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.909 111.7 45.6 -53.6 -48.8 -109.7 -193.8 -47.8 162 160 A E H X S+ 0 0 61 -4,-2.1 4,-3.9 2,-0.2 5,-0.3 0.914 108.0 55.4 -65.1 -45.0 -110.2 -194.5 -51.5 163 161 A D H X S+ 0 0 103 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.916 112.0 45.9 -55.5 -40.1 -112.0 -197.8 -51.1 164 162 A K H X S+ 0 0 67 -4,-1.9 4,-1.1 -5,-0.3 -1,-0.2 0.899 116.9 43.0 -69.1 -40.7 -114.4 -195.9 -48.9 165 163 A L H <>S+ 0 0 5 -4,-2.2 5,-3.2 2,-0.2 4,-0.2 0.869 111.4 54.5 -73.5 -37.3 -114.8 -193.0 -51.4 166 164 A S H ><5S+ 0 0 71 -4,-3.9 3,-2.9 1,-0.2 -2,-0.2 0.968 106.7 49.9 -60.2 -54.8 -115.0 -195.3 -54.4 167 165 A R H 3<5S+ 0 0 212 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.865 109.5 54.3 -51.3 -35.9 -117.8 -197.3 -53.1 168 166 A A T 3<5S- 0 0 23 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.509 117.9-116.8 -77.0 -4.6 -119.5 -193.9 -52.4 169 167 A G T < 5S+ 0 0 66 -3,-2.9 2,-0.4 1,-0.3 -3,-0.2 0.717 71.5 136.6 75.3 20.2 -119.0 -193.0 -56.0 170 168 A I < - 0 0 10 -5,-3.2 2,-0.4 -8,-0.1 -1,-0.3 -0.850 31.4-175.3-104.6 136.5 -116.7 -190.1 -55.0 171 169 A V + 0 0 92 -2,-0.4 2,-0.5 6,-0.1 -9,-0.0 -0.975 4.7 179.9-136.1 120.7 -113.5 -189.4 -56.8 172 170 A I + 0 0 18 -2,-0.4 3,-0.1 1,-0.1 -7,-0.0 -0.961 19.4 149.8-124.8 114.3 -110.9 -186.8 -55.8 173 171 A N S S+ 0 0 94 -2,-0.5 2,-0.3 1,-0.3 -1,-0.1 0.485 70.9 4.6-116.1 -11.5 -107.8 -186.3 -57.8 174 172 A N S > S- 0 0 52 1,-0.1 4,-1.5 -82,-0.0 -1,-0.3 -0.977 86.4 -79.4-162.9 173.0 -107.2 -182.6 -57.2 175 173 A V H > S+ 0 0 2 -2,-0.3 4,-2.8 1,-0.2 3,-0.3 0.877 122.9 53.4 -45.8 -49.2 -108.3 -179.4 -55.4 176 174 A D H > S+ 0 0 70 1,-0.2 4,-3.4 2,-0.2 5,-0.3 0.927 102.3 57.0 -56.7 -48.9 -111.2 -178.8 -57.8 177 175 A D H > S+ 0 0 44 -3,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.884 112.1 44.8 -48.8 -42.4 -112.7 -182.3 -57.4 178 176 A I H X S+ 0 0 1 -4,-1.5 4,-1.9 -3,-0.3 -2,-0.2 0.969 112.3 48.7 -67.9 -55.6 -112.8 -181.5 -53.7 179 177 A I H X S+ 0 0 12 -4,-2.8 4,-0.6 1,-0.2 -78,-0.3 0.917 112.1 49.8 -51.5 -48.1 -114.3 -178.0 -54.1 180 178 A N H >X S+ 0 0 96 -4,-3.4 3,-1.6 1,-0.2 4,-0.9 0.914 104.9 58.8 -58.1 -42.9 -116.9 -179.3 -56.5 181 179 A L H >< S+ 0 0 8 -4,-1.8 3,-1.0 -5,-0.3 7,-0.2 0.911 99.7 57.5 -52.2 -45.1 -117.8 -182.0 -54.0 182 180 A T H 3< S+ 0 0 5 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.676 99.4 60.5 -62.0 -18.3 -118.6 -179.3 -51.4 183 181 A K H << S+ 0 0 105 -3,-1.6 2,-0.5 -4,-0.6 -1,-0.2 0.805 92.4 71.2 -80.8 -29.5 -121.2 -177.8 -53.7 184 182 A S S+ 0 0 60 -2,-0.5 4,-1.6 2,-0.2 -1,-0.1 0.777 90.1 53.7 -84.6 -25.7 -125.3 -181.6 -50.7 186 184 A K H > S+ 0 0 166 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.888 110.9 47.7 -72.7 -37.4 -126.2 -185.1 -51.8 187 185 A D H > S+ 0 0 56 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.876 107.9 54.8 -68.5 -39.0 -122.6 -185.8 -52.5 188 186 A L H X S+ 0 0 1 -4,-1.3 4,-2.3 -7,-0.2 -1,-0.2 0.880 106.6 52.1 -62.9 -37.5 -121.6 -184.4 -49.1 189 187 A E H X S+ 0 0 114 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.855 106.8 52.1 -68.4 -32.2 -124.0 -186.8 -47.5 190 188 A K H X S+ 0 0 103 -4,-1.3 4,-2.5 2,-0.2 -1,-0.2 0.888 108.2 53.3 -68.1 -38.0 -122.4 -189.7 -49.3 191 189 A L H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 5,-0.4 0.968 108.1 48.8 -59.7 -55.6 -119.0 -188.5 -48.0 192 190 A D H X S+ 0 0 10 -4,-2.3 4,-2.8 1,-0.2 5,-0.3 0.930 113.1 46.4 -50.7 -53.7 -120.2 -188.4 -44.4 193 191 A K H X S+ 0 0 177 -4,-2.1 4,-0.7 2,-0.2 -1,-0.2 0.927 116.2 47.5 -56.5 -45.7 -121.7 -191.9 -44.6 194 192 A A H >< S+ 0 0 11 -4,-2.5 3,-0.8 1,-0.2 4,-0.3 0.976 121.1 31.4 -59.6 -63.7 -118.6 -193.2 -46.3 195 193 A L H >< S+ 0 0 1 -4,-2.8 3,-1.3 1,-0.2 -1,-0.2 0.753 110.0 65.1 -70.9 -27.9 -115.9 -191.7 -44.1 196 194 A N H 3< S+ 0 0 56 -4,-2.8 -1,-0.2 -5,-0.4 -2,-0.2 0.722 90.2 69.9 -68.0 -17.2 -117.9 -191.9 -40.8 197 195 A S T << S+ 0 0 60 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.757 78.2 92.8 -70.1 -23.5 -117.8 -195.6 -41.2 198 196 A I S < S- 0 0 6 -3,-1.3 16,-0.0 -4,-0.3 -3,-0.0 -0.589 85.5-117.1 -73.6 124.5 -114.0 -195.5 -40.4 199 197 A P - 0 0 59 0, 0.0 15,-0.2 0, 0.0 -1,-0.1 -0.123 4.9-131.8 -63.1 155.6 -113.6 -196.1 -36.7 200 198 A T S S+ 0 0 87 1,-0.2 2,-0.3 13,-0.1 14,-0.3 0.964 89.3 8.9 -69.6 -54.8 -112.0 -193.6 -34.3 201 199 A E - 0 0 90 11,-0.1 2,-0.4 12,-0.1 -1,-0.2 -0.815 63.5-149.7-123.9 164.5 -109.7 -196.0 -32.7 202 200 A L - 0 0 81 8,-0.4 8,-1.7 -2,-0.3 2,-0.3 -0.958 16.8-172.2-139.2 117.4 -108.6 -199.6 -33.4 203 201 A K B -L 209 0E 136 -2,-0.4 6,-0.2 6,-0.2 2,-0.1 -0.728 12.6-133.6-107.8 158.3 -107.6 -201.9 -30.5 204 202 A G > - 0 0 22 4,-2.0 3,-2.6 -2,-0.3 -1,-0.1 -0.245 40.1 -66.1-104.3-169.1 -106.2 -205.3 -30.6 205 203 A A T 3 S+ 0 0 98 1,-0.3 -2,-0.0 2,-0.1 -1,-0.0 0.881 135.3 29.3 -39.1 -55.7 -106.5 -208.8 -29.2 206 204 A K T 3 S- 0 0 195 0, 0.0 -1,-0.3 0, 0.0 -3,-0.0 0.225 124.2 -96.7 -96.0 16.5 -105.4 -207.7 -25.7 207 205 A G < + 0 0 48 -3,-2.6 2,-0.2 1,-0.2 -2,-0.1 0.845 69.6 159.4 74.3 32.4 -106.8 -204.2 -26.1 208 206 A E - 0 0 85 1,-0.1 -4,-2.0 0, 0.0 2,-0.3 -0.560 49.9 -98.4 -81.5 159.0 -103.4 -202.7 -27.1 209 207 A Q B -L 203 0E 144 -6,-0.2 2,-0.3 -2,-0.2 -6,-0.2 -0.572 44.1-160.1 -78.3 138.4 -103.6 -199.4 -29.0 210 208 A L - 0 0 71 -8,-1.7 -8,-0.4 -2,-0.3 -1,-0.0 -0.767 33.0 -67.7-117.5 164.6 -103.3 -199.8 -32.8 211 209 A E - 0 0 55 -2,-0.3 -1,-0.1 1,-0.1 49,-0.0 -0.214 57.0-108.3 -52.7 129.6 -102.4 -197.5 -35.7 212 210 A N - 0 0 19 1,-0.2 4,-0.1 -11,-0.1 -1,-0.1 -0.351 20.7-139.2 -58.1 132.8 -105.1 -194.8 -36.2 213 211 A P S S+ 0 0 14 0, 0.0 -1,-0.2 0, 0.0 -53,-0.1 0.875 82.0 71.3 -65.5 -33.1 -106.9 -195.6 -39.4 214 212 A R S S- 0 0 12 -14,-0.3 2,-0.3 -15,-0.2 -57,-0.1 -0.301 103.8 -82.8 -81.1 163.9 -106.9 -191.9 -40.4 215 213 A L - 0 0 1 -58,-0.1 48,-1.8 47,-0.1 49,-0.5 -0.511 58.3-160.5 -66.0 126.6 -104.0 -189.7 -41.5 216 214 A T B >> -M 262 0F 0 46,-0.3 3,-0.6 -2,-0.3 4,-0.6 -0.575 34.5-106.9-108.9 171.7 -102.3 -188.6 -38.3 217 215 A L H >> S+ 0 0 0 44,-2.4 3,-1.5 41,-0.4 4,-0.6 0.920 122.4 56.5 -60.6 -42.3 -100.0 -185.9 -37.2 218 216 A G H >> S+ 0 0 14 41,-2.5 4,-1.9 1,-0.3 3,-0.7 0.754 93.5 66.4 -61.8 -26.5 -97.3 -188.6 -37.0 219 217 A D H <> S+ 0 0 0 -3,-0.6 4,-2.4 40,-0.3 -1,-0.3 0.716 90.5 65.2 -68.0 -20.9 -97.9 -189.5 -40.7 220 218 A L H > - 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