==== 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 26-SEP-08 2V4O . COMPND 2 MOLECULE: MULTIFUNCTIONAL PROTEIN SUR E; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR P.ANJU,H.S.SAVITHRI,M.R.N.MURTHY . 1020 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39867.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 694 68.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 137 13.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 97 9.5 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 . 8 0.8 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 . 1 0.1 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 . 97 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 97 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 205 20.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 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 2 6 0 0 10 2 0 0 0 1 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 6 14 0 1 3 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 . 8 4 0 7 5 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 . 4 8 0 0 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 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 0 A S 0 0 148 0, 0.0 2,-0.7 0, 0.0 27,-0.1 0.000 360.0 360.0 360.0 -32.5 72.2 49.8 11.0 2 1 A M - 0 0 22 25,-0.3 27,-2.3 1,-0.1 2,-0.8 -0.503 360.0-154.1 -67.0 109.3 74.5 48.3 13.7 3 2 A R E -a 29 0A 49 -2,-0.7 83,-2.7 25,-0.2 84,-1.6 -0.762 13.0-167.7 -92.0 111.8 77.6 50.6 13.7 4 3 A I E -ab 30 87A 0 25,-3.2 27,-2.5 -2,-0.8 2,-0.7 -0.851 16.9-151.5-104.7 132.3 80.6 48.7 15.0 5 4 A L E -ab 31 88A 0 82,-3.0 84,-2.4 -2,-0.4 2,-0.7 -0.915 22.8-158.3 -97.1 116.5 84.0 50.2 16.0 6 5 A L E +ab 32 89A 0 25,-3.0 27,-2.2 -2,-0.7 2,-0.2 -0.845 24.4 149.7-110.3 113.1 86.5 47.5 15.4 7 6 A S E + b 0 90A 0 82,-2.5 84,-5.2 -2,-0.7 2,-0.3 -0.569 12.5 174.0-119.1-175.9 89.8 47.5 17.1 8 7 A N - 0 0 0 82,-0.3 64,-0.1 25,-0.2 4,-0.1 -0.904 34.1-122.6-166.4-173.4 92.3 44.8 18.3 9 8 A D S S+ 0 0 4 -2,-0.3 30,-2.8 82,-0.2 3,-0.1 0.512 96.6 71.9-118.6 -6.5 95.8 44.8 19.8 10 9 A D S S- 0 0 17 1,-0.3 3,-0.1 28,-0.2 2,-0.1 0.633 112.8 -91.2 -81.3 -11.8 97.8 42.7 17.3 11 10 A G > - 0 0 3 27,-0.1 3,-2.0 1,-0.1 6,-0.3 -0.191 35.7 -80.7 116.0 155.9 97.6 45.5 14.7 12 11 A V T 3 S+ 0 0 1 23,-2.8 -1,-0.1 1,-0.3 24,-0.1 0.688 126.0 53.1 -61.9 -20.3 95.3 46.5 11.9 13 12 A H T 3 S+ 0 0 58 22,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.390 80.1 121.1 -97.6 3.3 96.9 43.9 9.6 14 13 A A S X> S- 0 0 9 -3,-2.0 4,-2.2 1,-0.1 3,-0.5 -0.314 70.3-124.8 -70.3 147.4 96.6 40.9 11.8 15 14 A P H 3> S+ 0 0 80 0, 0.0 4,-2.3 0, 0.0 5,-0.3 0.844 108.2 60.2 -63.1 -24.2 94.6 37.9 10.6 16 15 A G H 3> S+ 0 0 1 2,-0.2 4,-1.2 1,-0.2 76,-1.2 0.882 110.6 37.7 -68.3 -36.9 92.3 38.0 13.6 17 16 A I H <> S+ 0 0 0 -3,-0.5 4,-3.8 -6,-0.3 -1,-0.2 0.938 117.5 49.9 -80.9 -43.1 91.0 41.6 13.0 18 17 A Q H X S+ 0 0 60 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.911 111.8 48.0 -63.1 -44.4 90.8 41.2 9.2 19 18 A T H X S+ 0 0 40 -4,-2.3 4,-1.9 -5,-0.3 -1,-0.2 0.895 114.7 46.8 -67.4 -32.2 88.9 37.9 9.4 20 19 A L H X S+ 0 0 0 -4,-1.2 4,-2.5 -5,-0.3 5,-0.3 0.965 108.2 55.0 -70.5 -46.6 86.6 39.5 11.9 21 20 A A H X S+ 0 0 0 -4,-3.8 4,-2.4 1,-0.2 -2,-0.2 0.921 109.1 48.8 -47.6 -53.1 86.2 42.7 9.8 22 21 A K H < S+ 0 0 81 -4,-2.3 4,-0.4 1,-0.2 -1,-0.2 0.912 111.8 48.0 -54.7 -52.5 85.0 40.5 6.8 23 22 A A H >< S+ 0 0 22 -4,-1.9 3,-0.6 1,-0.2 -1,-0.2 0.869 116.2 42.8 -57.9 -43.9 82.5 38.4 8.9 24 23 A L H >X S+ 0 0 0 -4,-2.5 3,-2.1 1,-0.2 4,-1.4 0.870 100.9 71.5 -69.1 -35.6 80.9 41.5 10.5 25 24 A R T 3< S+ 0 0 102 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.509 86.8 65.1 -71.0 -3.1 80.8 43.6 7.3 26 25 A E T <4 S+ 0 0 158 -3,-0.6 -1,-0.3 -4,-0.4 -2,-0.1 0.406 121.3 14.6-103.2 3.4 78.1 41.5 5.7 27 26 A F T <4 S+ 0 0 57 -3,-2.1 -25,-0.3 1,-0.2 2,-0.3 0.281 125.5 54.3-141.9 2.3 75.4 42.4 8.2 28 27 A A S < S- 0 0 10 -4,-1.4 2,-0.6 -27,-0.1 -1,-0.2 -0.896 76.9-115.5-138.8 164.3 76.9 45.3 10.0 29 28 A D E -a 3 0A 86 -27,-2.3 -25,-3.2 -2,-0.3 2,-0.4 -0.906 44.3-167.8-102.8 118.6 78.4 48.7 9.4 30 29 A V E -a 4 0A 24 -2,-0.6 2,-0.4 -27,-0.2 -25,-0.2 -0.908 23.2-173.0-122.7 137.1 82.1 48.5 10.4 31 30 A Q E -a 5 0A 52 -27,-2.5 -25,-3.0 -2,-0.4 2,-0.4 -0.962 16.5-149.9-124.6 118.6 85.0 50.9 11.1 32 31 A V E +a 6 0A 0 -2,-0.4 30,-2.2 -27,-0.2 2,-0.3 -0.709 23.1 165.4 -84.0 129.0 88.5 49.6 11.8 33 32 A V E +g 62 0B 0 -27,-2.2 -25,-0.2 -2,-0.4 30,-0.2 -0.908 25.0 141.4-138.6 108.1 90.6 51.8 14.0 34 33 A A E -g 63 0B 0 28,-2.1 30,-1.8 -2,-0.3 33,-0.2 -0.913 52.0 -75.8-147.8 166.3 93.6 49.8 15.3 35 34 A P E -g 64 0B 0 0, 0.0 -23,-2.8 0, 0.0 -22,-0.2 -0.219 33.2-130.8 -65.9 160.4 97.3 50.0 16.0 36 35 A D S S+ 0 0 30 28,-0.7 2,-0.3 31,-0.3 29,-0.1 0.607 87.0 25.1 -89.3 -12.1 99.8 50.0 13.2 37 36 A R S S- 0 0 56 30,-0.3 2,-0.6 -28,-0.1 -23,-0.1 -0.852 103.4 -68.0-143.2 178.3 101.9 47.3 14.8 38 37 A N + 0 0 45 -2,-0.3 -28,-0.2 1,-0.1 -27,-0.1 -0.585 49.0 173.3 -76.7 121.4 101.6 44.3 17.1 39 38 A R > + 0 0 48 -30,-2.8 3,-1.4 -2,-0.6 -29,-0.2 -0.115 12.3 155.6-123.4 35.3 101.0 45.9 20.4 40 39 A S T 3 + 0 0 33 1,-0.3 263,-0.5 2,-0.1 264,-0.3 -0.357 65.6 33.6 -71.3 147.0 100.4 42.9 22.6 41 40 A G T 3 S+ 0 0 9 63,-0.2 260,-2.0 261,-0.1 -1,-0.3 0.374 79.8 124.8 88.2 0.5 101.1 43.5 26.3 42 41 A A X - 0 0 4 -3,-1.4 3,-1.9 258,-0.2 258,-0.3 0.660 42.0-177.2 -72.8 -15.6 100.0 47.1 26.0 43 42 A S T 3 - 0 0 0 61,-1.7 27,-0.4 1,-0.2 61,-0.2 -0.054 64.3 -31.9 49.5-159.7 97.4 47.0 28.8 44 43 A N T 3 S+ 0 0 5 59,-0.5 -1,-0.2 314,-0.3 62,-0.1 0.073 95.2 146.4 -68.8 23.4 95.4 50.2 29.4 45 44 A S < - 0 0 8 -3,-1.9 26,-0.5 315,-0.0 25,-0.5 -0.357 25.0-174.3 -68.0 148.7 98.4 52.3 28.3 46 45 A L - 0 0 26 250,-2.3 2,-0.8 313,-0.2 21,-0.0 -0.993 30.1-109.9-143.6 151.0 97.7 55.6 26.5 47 46 A T + 0 0 32 -2,-0.3 408,-0.5 1,-0.2 249,-0.1 -0.706 44.9 154.1 -82.8 109.0 99.6 58.4 24.7 48 47 A L + 0 0 62 -2,-0.8 408,-0.2 247,-0.3 -1,-0.2 0.692 65.2 49.4-106.9 -29.2 99.4 61.6 26.8 49 48 A E S S+ 0 0 87 2,-0.1 2,-0.3 405,-0.0 -1,-0.1 0.335 109.5 51.4-102.5 8.1 102.4 63.7 25.9 50 49 A S S S- 0 0 63 403,-0.1 405,-0.4 510,-0.0 2,-0.2 -0.947 79.8-118.3-137.6 154.8 102.1 63.5 22.2 51 50 A S - 0 0 25 -2,-0.3 2,-0.4 403,-0.1 403,-0.3 -0.495 37.3-121.3 -80.0 162.7 99.4 64.1 19.6 52 51 A L B -I 453 0C 5 401,-3.1 401,-2.3 -2,-0.2 2,-0.4 -0.937 16.4-151.1-112.4 139.1 98.5 61.1 17.6 53 52 A R E -H 65 0B 27 12,-0.5 12,-2.5 -2,-0.4 2,-0.2 -0.856 12.0-153.5 -99.7 138.4 98.6 60.7 13.8 54 53 A T E -H 64 0B 37 397,-0.5 2,-0.4 -2,-0.4 10,-0.2 -0.707 4.0-156.0-105.1 162.9 96.3 58.4 11.8 55 54 A F E -H 63 0B 85 8,-2.5 8,-3.0 -2,-0.2 2,-0.5 -0.998 7.3-153.8-136.1 134.2 96.7 56.6 8.5 56 55 A T E -H 62 0B 83 -2,-0.4 6,-0.2 6,-0.2 2,-0.1 -0.935 5.7-153.0-112.2 128.4 93.8 55.5 6.3 57 56 A F > - 0 0 35 4,-2.3 3,-2.0 -2,-0.5 725,-0.0 -0.432 35.2-101.8 -87.0 168.4 94.1 52.6 3.8 58 57 A D T 3 S+ 0 0 176 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.773 122.5 60.5 -71.5 -21.0 91.9 52.4 0.7 59 58 A N T 3 S- 0 0 86 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.421 121.1-111.9 -78.8 4.9 89.5 49.9 2.2 60 59 A G < + 0 0 28 -3,-2.0 -2,-0.1 1,-0.3 -1,-0.1 0.227 68.8 144.5 86.7 -13.1 88.9 52.7 4.7 61 60 A D - 0 0 8 -5,-0.1 -4,-2.3 -30,-0.1 2,-0.4 -0.257 39.1-144.1 -53.8 149.0 90.5 50.9 7.7 62 61 A I E -gH 33 56B 14 -30,-2.2 -28,-2.1 -6,-0.2 2,-0.4 -0.962 12.6-164.3-119.3 135.7 92.3 53.4 10.0 63 62 A A E -gH 34 55B 2 -8,-3.0 -8,-2.5 -2,-0.4 2,-0.9 -0.965 18.1-135.9-115.4 136.8 95.5 52.9 11.9 64 63 A V E > -gH 35 54B 0 -30,-1.8 3,-2.7 -2,-0.4 -28,-0.7 -0.813 31.1-121.9 -86.1 107.8 96.7 55.1 14.8 65 64 A Q E 3 S- H 0 53B 28 -12,-2.5 -12,-0.5 -2,-0.9 3,-0.1 -0.335 92.8 -12.8 -52.4 116.5 100.4 55.7 14.1 66 65 A M T 3 S+ 0 0 77 1,-0.2 -1,-0.3 -2,-0.1 2,-0.1 0.614 104.3 153.7 55.1 15.9 102.2 54.4 17.3 67 66 A G < - 0 0 0 -3,-2.7 -31,-0.3 -14,-0.2 -30,-0.3 -0.457 41.2-133.4 -69.2 142.7 98.7 54.3 18.9 68 67 A T > - 0 0 5 -2,-0.1 4,-2.8 -3,-0.1 5,-0.2 -0.522 32.3-102.9 -81.4 158.9 98.0 52.0 21.7 69 68 A P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.934 127.9 48.5 -47.5 -47.9 94.7 49.9 21.6 70 69 A T H > S+ 0 0 1 -25,-0.5 4,-3.0 -27,-0.4 5,-0.3 0.953 108.0 52.9 -58.4 -55.2 93.3 52.4 24.2 71 70 A D H > S+ 0 0 0 -26,-0.5 4,-2.4 1,-0.2 5,-0.3 0.903 110.6 52.5 -40.0 -46.9 94.5 55.3 22.1 72 71 A C H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.906 112.3 38.9 -66.1 -48.5 92.6 53.7 19.2 73 72 A V H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.896 114.3 54.2 -75.2 -33.1 89.3 53.2 20.8 74 73 A Y H X S+ 0 0 12 -4,-3.0 4,-1.7 -5,-0.2 -2,-0.2 0.953 116.2 39.4 -58.6 -46.6 89.3 56.5 22.6 75 74 A L H X>S+ 0 0 0 -4,-2.4 5,-3.5 -5,-0.3 4,-1.8 0.840 113.4 58.8 -72.0 -34.3 90.0 58.3 19.3 76 75 A G H <>S+ 0 0 0 -4,-2.1 5,-2.5 -5,-0.3 -2,-0.2 0.971 113.5 32.8 -58.4 -60.4 87.6 55.9 17.5 77 76 A V H <5S+ 0 0 9 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.821 126.2 40.5 -70.1 -28.7 84.5 56.7 19.5 78 77 A N H <5S- 0 0 28 -4,-1.7 -1,-0.2 -5,-0.3 363,-0.2 0.652 134.4 -5.4-102.6 -13.4 85.2 60.4 20.2 79 78 A A T <5S+ 0 0 13 -4,-1.8 -3,-0.2 -5,-0.2 -4,-0.1 0.524 122.3 53.1-141.3 -48.0 86.7 61.8 17.0 80 79 A L T - 0 0 7 -2,-0.4 3,-1.8 79,-0.0 2,-0.3 -0.871 47.3 -16.9-124.1 148.3 92.4 34.3 30.7 99 98 A G T 3 S- 0 0 3 -2,-0.3 3,-0.4 1,-0.3 80,-0.2 -0.408 129.8 -10.3 64.5-118.3 92.5 34.9 34.5 100 99 A D T > S+ 0 0 10 -2,-0.3 3,-1.2 1,-0.2 4,-0.4 0.414 112.5 91.6-100.5 0.7 94.7 37.9 35.5 101 100 A D G X> S+ 0 0 24 -3,-1.8 3,-2.0 1,-0.2 4,-1.2 0.851 72.0 79.9 -54.6 -32.8 96.2 38.2 32.1 102 101 A V G 34 S+ 0 0 3 -3,-0.4 3,-0.4 1,-0.3 -1,-0.2 0.815 81.7 57.8 -43.6 -42.5 93.2 40.5 31.8 103 102 A I G <4 S+ 0 0 7 -3,-1.2 -59,-0.5 1,-0.2 196,-0.4 0.737 115.4 38.4 -66.4 -18.4 95.1 43.5 33.6 104 103 A Y T <4 S+ 0 0 30 -3,-2.0 -61,-1.7 -4,-0.4 2,-0.3 0.510 89.9 113.0-101.6 -15.3 97.8 43.3 31.0 105 104 A S X - 0 0 4 -4,-1.2 4,-2.0 -3,-0.4 -65,-0.1 -0.469 45.0-167.6 -73.8 126.9 95.7 42.6 27.9 106 105 A G H > S+ 0 0 0 -2,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.852 90.5 62.3 -74.6 -37.7 95.5 45.4 25.2 107 106 A T H > S+ 0 0 0 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.930 110.6 37.9 -46.7 -52.2 92.6 43.5 23.6 108 107 A V H > S+ 0 0 0 1,-0.2 4,-3.0 2,-0.2 3,-0.4 0.907 111.0 59.6 -76.6 -36.7 90.5 43.9 26.7 109 108 A A H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.898 102.5 54.4 -50.1 -41.9 91.8 47.4 27.3 110 109 A A H < S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.880 110.9 45.2 -63.5 -35.9 90.4 48.3 23.9 111 110 A A H >< S+ 0 0 0 -4,-1.1 3,-2.5 -3,-0.4 4,-0.4 0.846 103.0 63.5 -75.9 -36.5 87.0 47.0 25.0 112 111 A M H >< S+ 0 0 4 -4,-3.0 3,-2.2 1,-0.3 -2,-0.2 0.926 96.9 58.7 -56.7 -39.0 87.2 48.8 28.3 113 112 A E T 3< S+ 0 0 17 -4,-1.9 3,-0.3 1,-0.3 -1,-0.3 0.654 98.5 60.8 -60.9 -12.7 87.3 52.0 26.4 114 113 A G T X S+ 0 0 1 -3,-2.5 3,-2.1 1,-0.2 -1,-0.3 0.539 72.4 112.9 -90.0 -6.8 83.9 50.9 25.0 115 114 A R T < S+ 0 0 26 -3,-2.2 -1,-0.2 -4,-0.4 -2,-0.1 0.621 73.0 47.8 -30.6 -40.9 82.4 50.9 28.5 116 115 A H T 3 S+ 0 0 90 -3,-0.3 -1,-0.3 -4,-0.1 -2,-0.1 0.206 87.1 105.2-103.5 12.3 80.0 53.7 28.0 117 116 A L S < S- 0 0 39 -3,-2.1 -31,-0.1 2,-0.3 -30,-0.1 -0.160 84.3 -94.0 -84.3-175.7 78.3 52.9 24.7 118 117 A G S S+ 0 0 75 -33,-0.3 -31,-0.1 -32,-0.3 -32,-0.1 0.965 109.2 35.4 -61.4 -56.9 74.8 51.5 23.9 119 118 A F S S- 0 0 50 -33,-1.8 -2,-0.3 1,-0.1 -31,-0.2 -0.597 101.7 -91.6 -95.4 158.5 75.8 47.8 23.8 120 119 A P - 0 0 8 0, 0.0 36,-0.2 0, 0.0 35,-0.1 -0.505 46.1-106.6 -72.8 139.4 78.4 46.2 26.0 121 120 A A E - d 0 156A 1 34,-2.0 36,-2.4 -10,-0.2 2,-0.5 -0.307 31.6-142.9 -54.2 141.1 81.9 46.1 24.5 122 121 A L E -cd 89 157A 0 -34,-2.5 -32,-2.9 34,-0.2 2,-0.5 -0.965 12.6-168.2-115.3 122.6 83.1 42.7 23.3 123 122 A A E -cd 90 158A 0 34,-2.8 36,-3.6 -2,-0.5 2,-0.5 -0.969 13.4-165.7-105.0 124.2 86.7 41.5 23.8 124 123 A V E + d 0 159A 0 -34,-1.9 -31,-2.5 -2,-0.5 2,-0.4 -0.946 10.1 176.3-121.0 119.7 87.3 38.4 21.7 125 124 A S E -cd 93 160A 0 34,-3.0 36,-3.0 -2,-0.5 2,-0.4 -0.957 17.5-148.5-123.6 134.1 90.4 36.0 22.2 126 125 A L E -cd 94 161A 0 -33,-2.5 -31,-1.7 -2,-0.4 2,-1.5 -0.825 19.5-130.6-100.1 139.4 91.2 32.8 20.4 127 126 A N S S- 0 0 61 34,-2.4 36,-0.4 -2,-0.4 2,-0.3 -0.243 86.5 -16.3 -85.7 53.3 93.2 30.1 22.4 128 127 A G S S- 0 0 19 -2,-1.5 -33,-0.7 34,-0.1 -2,-0.2 -0.944 83.9 -97.7 155.1-135.7 95.7 29.5 19.6 129 128 A Y S S+ 0 0 157 -2,-0.3 3,-0.3 -35,-0.1 -1,-0.1 0.304 87.6 93.9-171.6 25.5 95.5 30.6 16.0 130 129 A Q S S+ 0 0 139 1,-0.2 2,-1.1 33,-0.1 3,-0.3 0.953 91.0 41.6 -71.5 -63.2 94.3 27.8 13.8 131 130 A H >> + 0 0 56 1,-0.2 4,-1.3 2,-0.1 3,-0.9 -0.412 49.8 146.6-101.9 63.2 90.6 28.7 13.9 132 131 A Y H 3> S+ 0 0 29 -2,-1.1 4,-2.6 -3,-0.3 -1,-0.2 0.882 77.5 68.3 -49.5 -40.9 89.8 32.4 13.6 133 132 A D H 3> S+ 0 0 131 -3,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.873 97.3 52.9 -40.5 -47.5 86.7 31.2 11.7 134 133 A T H <> S+ 0 0 2 -3,-0.9 4,-2.2 2,-0.2 -1,-0.2 0.961 108.2 46.3 -58.4 -56.0 85.5 29.8 15.0 135 134 A A H X S+ 0 0 0 -4,-1.3 4,-2.3 1,-0.2 -2,-0.2 0.864 112.3 53.8 -58.3 -38.2 85.9 33.0 17.0 136 135 A A H X S+ 0 0 8 -4,-2.6 4,-3.1 2,-0.2 5,-0.3 0.931 105.0 51.9 -58.0 -50.9 84.2 34.9 14.2 137 136 A A H X S+ 0 0 36 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.956 113.1 47.0 -51.8 -49.6 81.1 32.6 14.3 138 137 A V H X S+ 0 0 18 -4,-2.2 4,-3.6 1,-0.2 -1,-0.2 0.892 112.9 46.3 -58.4 -48.6 80.9 33.2 18.0 139 138 A T H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.887 112.7 49.7 -67.7 -42.5 81.2 36.9 17.8 140 139 A C H X S+ 0 0 18 -4,-3.1 4,-2.6 2,-0.2 -1,-0.2 0.921 112.8 48.2 -60.3 -43.5 78.8 37.2 15.0 141 140 A A H < S+ 0 0 40 -4,-2.5 5,-0.3 -5,-0.3 -2,-0.2 0.918 111.2 49.8 -64.4 -47.4 76.4 35.1 17.0 142 141 A L H X S+ 0 0 0 -4,-3.6 4,-1.0 1,-0.2 -1,-0.2 0.893 111.4 51.1 -50.9 -42.0 77.0 37.2 20.1 143 142 A L H X S+ 0 0 0 -4,-2.5 4,-1.5 -5,-0.2 -2,-0.2 0.915 103.8 58.8 -73.1 -46.1 76.3 40.4 18.0 144 143 A R H < S+ 0 0 104 -4,-2.6 2,-2.8 2,-0.2 359,-0.1 -0.385 110.8 33.4 -65.8 163.3 73.1 39.2 16.5 145 144 A G H > S+ 0 0 2 1,-0.2 4,-3.4 -2,-0.1 -1,-0.2 -0.188 110.2 67.7 76.3 -55.6 70.8 38.6 19.4 146 145 A L H < S+ 0 0 1 -2,-2.8 -1,-0.2 -4,-1.0 -2,-0.2 0.903 108.1 39.4 -54.9 -37.1 72.6 41.4 21.1 147 146 A S T < S+ 0 0 74 -4,-1.5 -1,-0.2 1,-0.2 -3,-0.1 0.558 116.1 51.8 -90.7 -11.4 70.8 43.4 18.3 148 147 A R T 4 S+ 0 0 194 1,-0.4 -2,-0.2 -5,-0.1 -1,-0.2 0.775 130.5 7.3 -81.1 -36.2 67.7 41.2 18.8 149 148 A E S < S- 0 0 71 -4,-3.4 -1,-0.4 354,-0.0 354,-0.1 -0.971 82.0-122.6-153.2 126.7 67.6 41.8 22.6 150 149 A P - 0 0 96 0, 0.0 2,-0.7 0, 0.0 -3,-0.1 -0.233 28.2-110.2 -70.4 159.4 69.8 44.2 24.6 151 150 A L - 0 0 19 1,-0.1 345,-0.1 -5,-0.1 3,-0.1 -0.864 23.7-154.2 -89.4 115.7 72.0 43.0 27.5 152 151 A R S S+ 0 0 93 -2,-0.7 2,-0.3 343,-0.2 -1,-0.1 0.722 73.0 17.4 -63.9 -22.7 70.3 44.4 30.7 153 152 A T S S+ 0 0 66 1,-0.1 -1,-0.1 339,-0.1 0, 0.0 -0.995 92.3 54.7-153.3 144.9 73.6 44.4 32.7 154 153 A G - 0 0 12 -2,-0.3 -1,-0.1 -3,-0.1 75,-0.1 0.491 46.2-151.7 99.6 122.2 77.3 44.2 32.3 155 154 A R S S+ 0 0 98 73,-0.5 -34,-2.0 1,-0.2 2,-0.4 0.498 76.6 42.7-104.9 -7.3 79.3 46.6 30.0 156 155 A I E -d 121 0A 2 72,-0.5 72,-2.4 -36,-0.2 2,-0.5 -0.988 60.9-163.2-146.1 127.3 82.2 44.5 29.0 157 156 A L E -dE 122 227A 0 -36,-2.4 -34,-2.8 -2,-0.4 2,-1.0 -0.956 8.4-153.9-116.4 121.9 82.3 40.8 28.0 158 157 A N E -dE 123 226A 0 68,-3.9 68,-1.5 -2,-0.5 2,-0.5 -0.786 21.5-168.9 -94.7 101.0 85.6 38.9 27.9 159 158 A V E -dE 124 225A 0 -36,-3.6 -34,-3.0 -2,-1.0 2,-0.5 -0.747 10.6-175.6 -99.7 125.8 85.1 36.2 25.3 160 159 A N E -dE 125 224A 0 64,-2.3 64,-1.9 -2,-0.5 -34,-0.2 -0.980 6.9-162.2-120.6 132.8 87.5 33.3 24.9 161 160 A V E -d 126 0A 0 -36,-3.0 -34,-2.4 -2,-0.5 62,-0.1 -0.899 22.6-118.4-115.4 130.8 87.1 30.8 22.1 162 161 A P - 0 0 3 0, 0.0 2,-1.8 0, 0.0 -34,-0.1 -0.367 30.3-113.7 -61.0 147.7 88.7 27.4 22.1 163 162 A D S S+ 0 0 36 -36,-0.4 -34,-0.1 55,-0.1 -31,-0.1 -0.415 77.9 109.6 -82.7 65.4 91.1 26.9 19.2 164 163 A L S S- 0 0 49 -2,-1.8 2,-0.3 -33,-0.2 -30,-0.2 -0.837 80.3 -80.1-130.0 160.0 88.9 24.1 17.5 165 164 A P >> - 0 0 54 0, 0.0 3,-3.4 0, 0.0 4,-0.6 -0.564 51.5-114.4 -53.3 127.7 86.7 23.5 14.4 166 165 A L G >4 S+ 0 0 101 1,-0.3 3,-1.1 -2,-0.3 -2,-0.0 0.757 116.3 59.1 -30.1 -47.0 83.3 25.1 15.3 167 166 A A G 34 S+ 0 0 106 1,-0.2 -1,-0.3 3,-0.0 0, 0.0 0.753 103.1 53.7 -62.0 -25.5 81.7 21.6 15.2 168 167 A Q G <4 S+ 0 0 123 -3,-3.4 2,-0.5 2,-0.0 -1,-0.2 0.605 84.0 98.7 -88.8 -11.9 84.1 20.5 17.9 169 168 A V << - 0 0 25 -3,-1.1 53,-0.2 -4,-0.6 52,-0.1 -0.700 62.4-152.5 -86.2 126.8 83.3 23.3 20.4 170 169 A K - 0 0 145 51,-1.8 2,-0.3 -2,-0.5 52,-0.2 0.629 47.2 -78.2 -77.0 -21.4 80.8 22.2 23.0 171 170 A G E -f 222 0A 12 50,-0.6 52,-3.3 336,-0.1 2,-0.3 -0.998 51.8 -57.1 155.3-153.2 79.1 25.4 24.0 172 171 A I E -f 223 0A 22 334,-0.6 2,-0.4 -2,-0.3 52,-0.2 -0.907 33.9-169.1-132.3 146.5 79.3 28.6 26.0 173 172 A R E -f 224 0A 138 50,-2.2 52,-3.0 -2,-0.3 2,-0.5 -0.966 22.7-135.4-139.5 126.7 79.8 29.2 29.7 174 173 A V E +f 225 0A 14 -2,-0.4 52,-0.2 50,-0.2 2,-0.2 -0.751 46.3 178.1 -73.3 126.5 79.5 32.4 31.7 175 174 A T - 0 0 5 50,-2.2 2,-0.3 -2,-0.5 38,-0.2 -0.636 31.3-125.5-127.7 173.9 82.6 32.2 33.8 176 175 A R B -k 213 0D 64 36,-1.4 38,-1.8 -2,-0.2 2,-0.2 -0.842 43.8 -91.4-116.7 159.1 84.7 34.1 36.4 177 176 A C - 0 0 4 -2,-0.3 2,-0.1 36,-0.2 311,-0.1 -0.536 38.6-155.1 -73.8 139.3 88.4 34.9 36.0 178 177 A G - 0 0 7 -2,-0.2 2,-0.3 31,-0.1 31,-0.2 -0.040 14.2-126.0 -88.2-162.0 90.8 32.4 37.4 179 178 A S E -L 208 0E 32 29,-1.8 28,-2.8 -80,-0.2 29,-0.8 -0.981 8.5-136.3-151.9 159.5 94.4 33.2 38.5 180 179 A R E -L 206 0E 40 -2,-0.3 26,-0.2 26,-0.2 25,-0.1 -0.713 26.7-104.3-113.3 163.0 98.0 32.1 37.9 181 180 A H - 0 0 82 24,-2.5 23,-0.4 -2,-0.2 -1,-0.1 -0.358 63.5 -72.7 -67.3 160.8 101.0 31.4 40.1 182 181 A P - 0 0 60 0, 0.0 2,-0.4 0, 0.0 23,-0.3 -0.299 50.6-121.7 -52.9 147.0 103.6 34.2 40.0 183 182 A A + 0 0 28 21,-0.2 21,-0.0 1,-0.1 150,-0.0 -0.800 38.3 167.3 -83.2 134.4 105.5 34.3 36.8 184 183 A D + 0 0 112 -2,-0.4 2,-0.2 18,-0.2 -1,-0.1 0.562 31.4 113.6-125.5 -11.2 109.2 33.8 37.4 185 184 A K + 0 0 112 17,-0.3 16,-1.6 15,-0.0 2,-0.4 -0.418 32.5 177.4 -71.8 131.9 110.9 33.2 34.0 186 185 A V E -M 200 0F 23 14,-0.2 14,-0.2 -2,-0.2 -1,-0.0 -0.884 18.5-151.6-131.7 102.5 113.3 35.7 32.6 187 186 A I E -M 199 0F 57 12,-1.4 12,-2.8 -2,-0.4 2,-0.2 -0.627 14.7-150.8 -79.3 113.2 114.8 34.5 29.3 188 187 A P E -M 198 0F 81 0, 0.0 2,-0.3 0, 0.0 10,-0.2 -0.559 14.5-175.2 -87.1 153.1 118.2 36.1 28.9 189 188 A Q E -M 197 0F 36 8,-2.3 8,-2.8 -2,-0.2 2,-0.4 -0.958 21.6-124.9-146.9 127.6 119.8 36.9 25.5 190 189 A E E -M 196 0F 104 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.589 20.2-128.1 -75.2 126.9 123.3 38.2 24.6 191 190 A D > - 0 0 7 4,-2.7 3,-1.7 -2,-0.4 -1,-0.1 -0.196 33.2-106.3 -39.9 151.9 123.8 41.3 22.5 192 191 A P T 3 S+ 0 0 52 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.704 127.9 53.9 -66.8 -11.8 126.2 40.8 19.6 193 192 A R T 3 S- 0 0 137 2,-0.1 -3,-0.0 0, 0.0 -2,-0.0 0.437 127.6-101.4 -96.0 -2.2 128.5 42.9 21.8 194 193 A G S < S+ 0 0 50 -3,-1.7 2,-0.4 1,-0.3 -4,-0.0 0.556 73.9 140.4 98.6 10.5 128.1 40.4 24.8 195 194 A N - 0 0 80 1,-0.1 -4,-2.7 -6,-0.0 2,-0.6 -0.682 55.5-115.4 -90.4 135.1 125.6 42.4 26.9 196 195 A T E -M 190 0F 57 -2,-0.4 113,-0.5 -6,-0.2 2,-0.3 -0.537 33.1-173.8 -72.4 117.0 122.8 40.5 28.7 197 196 A L E -M 189 0F 10 -8,-2.8 -8,-2.3 -2,-0.6 2,-0.5 -0.781 16.0-134.8-101.0 155.3 119.4 41.6 27.4 198 197 A Y E -MN 188 307F 37 109,-2.1 109,-2.1 -2,-0.3 2,-0.4 -0.944 12.6-162.9-120.2 130.2 116.3 40.3 29.1 199 198 A W E -M 187 0F 4 -12,-2.8 -12,-1.4 -2,-0.5 2,-0.4 -0.886 29.6-114.8-103.6 140.6 113.1 38.9 27.6 200 199 A I E -M 186 0F 8 102,-0.5 -14,-0.2 -2,-0.4 -15,-0.0 -0.580 34.8-133.1 -76.3 124.3 109.9 38.7 29.7 201 200 A G - 0 0 11 -16,-1.6 -1,-0.1 -2,-0.4 3,-0.1 0.248 31.5 -76.8 -66.8-169.5 108.9 35.0 30.2 202 201 A P - 0 0 84 0, 0.0 -17,-0.3 0, 0.0 -18,-0.2 -0.567 56.6 -78.1 -89.3 158.5 105.5 33.5 29.8 203 202 A P - 0 0 77 0, 0.0 3,-0.1 0, 0.0 -19,-0.0 -0.165 60.3-105.2 -30.5 138.0 102.5 33.8 32.1 204 203 A G - 0 0 10 -23,-0.4 -21,-0.2 1,-0.2 3,-0.1 -0.080 47.0 -64.6 -69.0 171.3 102.7 31.4 35.1 205 204 A D - 0 0 127 -23,-0.3 -24,-2.5 1,-0.1 -1,-0.2 -0.322 59.4 -94.0 -55.7 133.9 100.9 28.1 35.7 206 205 A K E +L 180 0E 67 -26,-0.2 -26,-0.2 1,-0.1 3,-0.2 -0.217 50.5 167.5 -42.5 129.5 97.2 28.0 36.2 207 206 A Y E + 0 0 156 -28,-2.8 2,-1.0 1,-0.3 -27,-0.2 0.599 69.7 34.1-115.4 -73.8 96.5 28.2 39.9 208 207 A D E +L 179 0E 50 -29,-0.8 -29,-1.8 1,-0.1 -1,-0.3 -0.793 69.9 141.9 -81.0 104.3 92.8 28.9 40.5 209 208 A A + 0 0 39 -2,-1.0 -1,-0.1 -31,-0.2 4,-0.1 -0.143 31.4 161.0-132.7 32.7 91.4 27.0 37.5 210 209 A G > - 0 0 18 2,-0.1 3,-3.0 1,-0.1 6,-0.4 0.055 56.8 -76.9 -59.7 164.8 88.4 25.7 39.4 211 210 A P T 3 S+ 0 0 130 0, 0.0 -1,-0.1 0, 0.0 6,-0.0 0.659 129.1 35.6 -26.7 -46.1 85.0 24.3 38.2 212 211 A D T 3 S+ 0 0 98 4,-0.1 -36,-1.4 -37,-0.1 -2,-0.1 0.110 93.5 115.9-109.7 26.1 83.5 27.8 37.3 213 212 A T B <> S-k 176 0D 1 -3,-3.0 4,-1.5 -38,-0.2 -36,-0.2 -0.364 75.1-116.6 -88.2 168.1 86.6 29.6 36.0 214 213 A D H > S+ 0 0 0 -38,-1.8 4,-1.8 2,-0.2 5,-0.2 0.896 116.8 53.4 -66.7 -39.1 87.5 31.0 32.6 215 214 A F H > S+ 0 0 2 -7,-0.2 4,-2.6 -39,-0.2 5,-0.3 0.945 104.9 52.3 -56.3 -55.5 90.4 28.5 32.4 216 215 A A H > S+ 0 0 8 -6,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.934 109.0 51.2 -50.3 -50.3 88.2 25.4 33.2 217 216 A A H X>S+ 0 0 6 -4,-1.5 5,-3.0 1,-0.2 4,-0.5 0.897 111.4 45.5 -55.2 -50.1 85.8 26.3 30.4 218 217 A V H ><5S+ 0 0 7 -4,-1.8 3,-1.2 1,-0.2 -1,-0.2 0.907 111.5 51.7 -64.8 -41.5 88.4 26.7 27.7 219 218 A D H 3<5S+ 0 0 106 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.875 109.6 50.9 -65.8 -32.4 90.3 23.5 28.6 220 219 A E H 3<5S- 0 0 118 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.518 125.7-100.3 -82.6 -3.7 87.0 21.6 28.5 221 220 A G T <<5S+ 0 0 7 -3,-1.2 -51,-1.8 -4,-0.5 -50,-0.6 0.687 79.0 128.1 92.9 23.8 86.2 23.0 25.0 222 221 A Y E < - 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