==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 14-JUN-12 4FL2 . COMPND 2 MOLECULE: TYROSINE-PROTEIN KINASE SYK; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR U.GRAEDLER,D.SCHWARZ,V.DRESING,M.MUSIL,J.BOMKE,M.FRECH,S.JAE . 555 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25957.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 366 65.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 87 15.7 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 . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.1 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 . 37 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 145 26.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.9 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 1 1 1 2 1 2 2 0 0 1 0 1 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 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 0 0 0 PARALLEL BRIDGES PER LADDER . 5 1 1 1 3 1 3 0 0 1 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 1 1 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 9 A S 0 0 129 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 177.0 -22.1 13.6 38.1 2 10 A A > + 0 0 1 75,-0.1 3,-1.3 74,-0.1 6,-0.2 0.213 360.0 108.6-131.1 4.4 -22.8 10.3 39.9 3 11 A N T 3 S+ 0 0 72 1,-0.3 5,-0.1 6,-0.0 106,-0.0 0.762 73.8 58.0 -57.2 -33.6 -19.4 10.1 41.7 4 12 A H T 3 S+ 0 0 139 2,-0.0 -1,-0.3 0, 0.0 -2,-0.1 0.719 85.6 97.5 -69.4 -25.7 -20.9 10.8 45.2 5 13 A L X - 0 0 18 -3,-1.3 3,-1.1 1,-0.1 -3,-0.1 -0.467 68.0-150.1 -67.6 125.6 -23.2 7.7 44.8 6 14 A P T 3 S+ 0 0 59 0, 0.0 95,-3.1 0, 0.0 -1,-0.1 0.711 96.6 52.6 -75.5 -15.2 -21.8 4.7 46.6 7 15 A F T 3 S+ 0 0 20 93,-0.3 26,-2.6 25,-0.0 2,-0.5 0.188 86.4 105.7 -98.5 11.3 -23.4 2.2 44.2 8 16 A F B < +a 33 0A 4 -3,-1.1 26,-0.2 -6,-0.2 93,-0.1 -0.862 42.7 178.5 -94.8 130.2 -21.9 4.1 41.1 9 17 A F - 0 0 2 24,-2.0 99,-2.7 -2,-0.5 25,-0.2 0.449 24.7-144.3-110.8 -8.9 -19.0 2.2 39.4 10 18 A G B -g 108 0B 0 97,-0.3 25,-2.5 23,-0.2 2,-1.6 -0.472 65.9 -3.3 77.8-146.8 -18.1 4.4 36.4 11 19 A N S S+ 0 0 13 97,-2.8 2,-0.2 23,-0.2 -1,-0.1 -0.484 84.3 141.5 -86.4 65.8 -16.9 2.9 33.1 12 20 A I - 0 0 2 -2,-1.6 2,-0.1 23,-0.1 23,-0.1 -0.493 53.3 -98.9 -93.8 170.9 -16.9 -0.9 33.9 13 21 A T > - 0 0 29 -2,-0.2 4,-2.4 1,-0.1 -1,-0.1 -0.430 28.5-109.5 -85.2 168.7 -18.0 -3.6 31.4 14 22 A R H > S+ 0 0 27 539,-0.7 4,-2.3 1,-0.2 5,-0.1 0.897 121.5 49.1 -63.0 -43.6 -21.4 -5.3 31.3 15 23 A E H > S+ 0 0 129 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.843 109.3 51.2 -68.2 -33.7 -19.8 -8.6 32.5 16 24 A E H > S+ 0 0 64 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.923 110.2 51.0 -67.4 -42.2 -18.0 -6.8 35.4 17 25 A A H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.925 112.4 45.9 -56.5 -48.2 -21.4 -5.3 36.3 18 26 A E H X S+ 0 0 65 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.912 108.9 54.8 -64.0 -43.9 -22.9 -8.8 36.3 19 27 A D H X S+ 0 0 103 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.843 109.3 49.1 -56.5 -36.6 -20.0 -10.2 38.3 20 28 A Y H X S+ 0 0 19 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.898 108.2 53.4 -71.1 -39.4 -20.7 -7.5 41.0 21 29 A L H <>S+ 0 0 0 -4,-2.0 5,-1.9 2,-0.2 -2,-0.2 0.881 111.1 45.3 -61.9 -37.6 -24.4 -8.4 41.0 22 30 A V H ><5S+ 0 0 90 -4,-2.2 3,-1.7 3,-0.2 -2,-0.2 0.903 109.6 55.9 -72.6 -36.8 -23.4 -12.1 41.6 23 31 A Q H 3<5S+ 0 0 124 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.871 107.1 51.1 -58.1 -37.6 -20.9 -10.9 44.3 24 32 A G T 3<5S- 0 0 27 -4,-2.2 -1,-0.3 -5,-0.1 3,-0.3 0.427 128.5 -97.6 -82.2 -1.9 -23.9 -9.1 45.9 25 33 A G T < 5 - 0 0 58 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.184 38.4-106.8 110.3 -18.8 -26.0 -12.2 45.9 26 34 A M < + 0 0 36 -5,-1.9 25,-0.5 1,-0.2 -1,-0.2 0.712 59.8 165.4 65.9 24.8 -28.2 -11.8 42.8 27 35 A S > - 0 0 62 -3,-0.3 3,-1.9 -6,-0.2 21,-0.3 -0.420 48.8 -89.8 -69.0 147.1 -31.4 -11.1 44.9 28 36 A D T 3 S+ 0 0 82 1,-0.3 21,-0.2 -2,-0.1 -1,-0.1 -0.279 114.8 21.7 -58.3 139.8 -34.3 -9.6 43.0 29 37 A G T 3 S+ 0 0 0 19,-2.2 67,-1.4 1,-0.3 68,-1.3 0.429 85.9 139.1 79.7 -0.6 -34.2 -5.8 42.9 30 38 A L E < +b 97 0A 6 -3,-1.9 18,-2.9 18,-0.2 2,-0.3 -0.618 32.4 170.7 -74.5 131.3 -30.4 -5.7 43.6 31 39 A Y E -bC 98 47A 15 66,-2.2 68,-2.7 -2,-0.3 2,-0.3 -0.974 28.5-165.8-145.9 161.0 -28.9 -3.0 41.4 32 40 A L E - C 0 46A 0 14,-2.5 14,-2.3 -2,-0.3 2,-0.4 -0.958 17.1-134.8-142.4 157.9 -25.9 -0.9 40.4 33 41 A L E +aC 8 45A 0 -26,-2.6 -24,-2.0 -2,-0.3 2,-0.3 -0.902 29.1 162.4-113.0 148.0 -25.3 2.2 38.4 34 42 A R E - C 0 44A 0 10,-2.4 10,-2.4 -2,-0.4 2,-0.2 -0.904 40.7 -80.5-148.5 177.8 -22.5 2.7 35.8 35 43 A Q E - C 0 43A 57 -25,-2.5 8,-0.3 -2,-0.3 2,-0.2 -0.619 44.5-111.5 -85.5 144.3 -21.4 4.9 32.9 36 44 A S > - 0 0 7 6,-1.9 3,-0.5 -2,-0.2 2,-0.5 -0.523 25.3-130.6 -71.4 139.0 -22.8 4.3 29.4 37 45 A R T 3 S+ 0 0 21 512,-0.2 -1,-0.1 1,-0.2 6,-0.0 -0.088 87.0 85.8 -83.8 38.9 -19.9 3.0 27.2 38 46 A N T 3 S- 0 0 8 -2,-0.5 -1,-0.2 4,-0.1 105,-0.0 0.242 94.3-117.0-123.8 7.5 -20.7 5.5 24.4 39 47 A Y S < S+ 0 0 72 -3,-0.5 -2,-0.1 1,-0.1 0, 0.0 0.689 86.0 112.7 61.1 20.2 -18.8 8.9 25.2 40 48 A L S S- 0 0 77 -4,-0.2 20,-0.4 2,-0.0 -1,-0.1 0.248 90.0-111.7-106.5 9.7 -22.4 10.6 25.4 41 49 A G S S+ 0 0 35 -5,-0.2 2,-0.1 1,-0.2 -4,-0.1 0.761 73.1 135.6 65.7 28.2 -22.3 11.3 29.1 42 50 A G - 0 0 2 -6,-0.2 -6,-1.9 18,-0.1 17,-0.2 -0.357 45.0-131.3 -97.0-178.5 -25.0 8.8 29.9 43 51 A F E -CD 35 58A 14 15,-2.9 15,-2.8 -8,-0.3 2,-0.3 -0.707 5.5-145.7-127.6 170.4 -25.5 6.1 32.5 44 52 A A E -CD 34 57A 1 -10,-2.4 -10,-2.4 13,-0.2 2,-0.5 -0.986 7.8-149.3-142.4 138.3 -26.5 2.4 32.6 45 53 A L E -CD 33 56A 0 11,-2.6 11,-2.5 -2,-0.3 2,-0.5 -0.965 8.2-163.0-113.8 123.2 -28.5 0.6 35.2 46 54 A S E -CD 32 55A 0 -14,-2.3 -14,-2.5 -2,-0.5 2,-0.4 -0.945 13.8-176.7-111.7 121.0 -27.9 -3.0 35.9 47 55 A V E -CD 31 54A 1 7,-2.6 7,-3.2 -2,-0.5 2,-0.3 -0.989 21.9-136.9-127.0 136.2 -30.6 -5.0 37.9 48 56 A A E + D 0 53A 0 -18,-2.9 -19,-2.2 -2,-0.4 -18,-0.2 -0.657 35.5 152.5 -86.8 135.4 -30.9 -8.5 39.2 49 57 A H E > - D 0 52A 55 3,-2.3 3,-1.0 -2,-0.3 -22,-0.1 -0.734 66.8 -5.8-167.5 122.4 -34.3 -10.3 38.7 50 58 A G T 3 S- 0 0 40 1,-0.2 3,-0.1 -2,-0.2 -23,-0.1 0.911 127.2 -55.1 58.0 47.7 -35.1 -14.0 38.3 51 59 A R T 3 S+ 0 0 237 -25,-0.5 2,-0.3 1,-0.2 -1,-0.2 0.560 120.7 100.9 61.9 14.5 -31.4 -15.1 38.4 52 60 A K E < S-D 49 0A 111 -3,-1.0 -3,-2.3 -26,-0.1 2,-0.4 -0.890 70.3-124.2-128.7 154.6 -30.7 -12.7 35.4 53 61 A A E -D 48 0A 25 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.842 19.7-158.2 -98.6 133.8 -29.1 -9.3 35.0 54 62 A H E -D 47 0A 11 -7,-3.2 -7,-2.6 -2,-0.4 2,-0.4 -0.972 6.8-159.9-117.0 122.0 -31.2 -6.5 33.2 55 63 A H E -D 46 0A 9 -2,-0.5 2,-0.4 -9,-0.2 -9,-0.2 -0.921 7.0-172.5-110.0 132.4 -29.3 -3.6 31.7 56 64 A Y E -D 45 0A 20 -11,-2.5 -11,-2.6 -2,-0.4 2,-0.5 -0.984 20.2-131.7-127.1 131.2 -30.9 -0.2 30.9 57 65 A T E -D 44 0A 35 -2,-0.4 2,-0.6 -13,-0.2 12,-0.5 -0.695 15.5-161.7 -82.8 121.2 -29.4 2.8 29.0 58 66 A I E -DE 43 68A 0 -15,-2.8 -15,-2.9 -2,-0.5 2,-0.3 -0.908 15.2-159.5-102.1 113.5 -29.9 6.2 30.7 59 67 A E E - E 0 67A 64 8,-2.7 8,-2.1 -2,-0.6 2,-0.4 -0.735 17.2-119.4-100.3 145.2 -29.4 9.0 28.2 60 68 A R E - E 0 66A 156 -20,-0.4 6,-0.2 -2,-0.3 2,-0.1 -0.718 29.5-138.2 -82.7 128.2 -28.5 12.6 28.8 61 69 A E > - 0 0 67 4,-3.6 3,-2.2 -2,-0.4 -1,-0.0 -0.444 26.6-103.8 -81.9 160.0 -31.2 15.0 27.5 62 70 A L T 3 S+ 0 0 187 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.839 123.6 52.3 -52.5 -38.5 -30.3 18.3 25.7 63 71 A N T 3 S- 0 0 125 1,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.357 127.2 -99.3 -79.2 0.8 -31.2 20.3 28.9 64 72 A G S < S+ 0 0 20 -3,-2.2 -2,-0.1 1,-0.3 2,-0.1 0.475 85.1 125.9 90.0 5.8 -28.9 18.1 31.0 65 73 A T - 0 0 29 -5,-0.1 -4,-3.6 11,-0.0 2,-0.3 -0.243 53.9-120.7 -85.3-179.0 -31.7 15.8 32.3 66 74 A Y E +EF 60 74A 24 8,-2.9 8,-2.2 -6,-0.2 2,-0.3 -0.975 30.0 165.3-132.1 142.1 -31.9 12.0 32.1 67 75 A A E -E 59 0A 2 -8,-2.1 -8,-2.7 -2,-0.3 2,-0.4 -0.996 27.6-134.4-152.9 153.1 -34.3 9.4 30.6 68 76 A I E > S-E 58 0A 35 4,-0.4 3,-2.1 -2,-0.3 -10,-0.1 -0.916 88.7 -8.3-108.6 133.5 -34.6 5.7 29.6 69 77 A A T 3 S- 0 0 64 -12,-0.5 -1,-0.2 -2,-0.4 -11,-0.1 0.791 124.6 -61.5 49.9 41.8 -36.1 4.8 26.1 70 78 A G T 3 S+ 0 0 67 -3,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.629 111.6 126.4 62.0 16.8 -37.2 8.4 25.3 71 79 A G < - 0 0 42 -3,-2.1 -2,-0.1 1,-0.2 -1,-0.1 0.428 59.2 -11.1 -78.2-147.0 -39.4 8.2 28.4 72 80 A R - 0 0 122 -4,-0.1 -4,-0.4 1,-0.1 -1,-0.2 -0.309 67.0-124.3 -58.7 131.1 -39.8 10.3 31.6 73 81 A T - 0 0 73 -6,-0.1 2,-0.3 -3,-0.1 -6,-0.2 -0.521 25.9-165.1 -77.7 142.2 -37.1 13.0 32.2 74 82 A H B -F 66 0A 16 -8,-2.2 -8,-2.9 -2,-0.2 6,-0.1 -0.959 24.4-130.4-129.1 145.8 -35.3 12.8 35.6 75 83 A A S S- 0 0 70 -2,-0.3 -1,-0.1 -10,-0.2 3,-0.1 0.826 84.8 -11.2 -63.5 -36.8 -33.1 15.6 37.2 76 84 A S S > S- 0 0 32 -10,-0.1 4,-2.1 1,-0.1 5,-0.1 -0.946 73.2 -96.8-156.0 167.0 -30.2 13.3 37.9 77 85 A P H > S+ 0 0 4 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.901 125.5 53.8 -59.3 -38.6 -29.2 9.6 38.0 78 86 A A H > S+ 0 0 16 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.933 109.4 47.2 -58.7 -47.1 -29.9 9.6 41.8 79 87 A D H > S+ 0 0 76 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.845 111.3 51.8 -62.8 -36.3 -33.4 11.0 41.1 80 88 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.923 111.6 46.3 -66.7 -44.2 -33.9 8.3 38.4 81 89 A C H < S+ 0 0 3 -4,-2.5 4,-0.5 2,-0.2 -2,-0.2 0.885 111.3 52.3 -65.4 -38.3 -32.9 5.6 40.9 82 90 A H H >< S+ 0 0 118 -4,-2.5 3,-1.1 1,-0.2 4,-0.4 0.937 111.1 47.9 -60.1 -49.8 -35.2 7.1 43.6 83 91 A Y H >X S+ 0 0 64 -4,-2.3 4,-2.2 1,-0.3 3,-1.6 0.894 109.4 51.1 -58.4 -49.9 -38.2 7.1 41.2 84 92 A H T 3< S+ 0 0 4 -4,-2.3 11,-2.3 1,-0.3 -1,-0.3 0.493 96.2 70.9 -71.0 -4.2 -37.6 3.4 40.0 85 93 A S T <4 S+ 0 0 41 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.648 114.8 25.2 -80.9 -18.7 -37.5 2.3 43.7 86 94 A Q T <4 S+ 0 0 145 -3,-1.6 2,-0.4 -4,-0.4 -2,-0.2 0.674 133.3 24.6-114.3 -32.4 -41.3 3.0 43.9 87 95 A E < - 0 0 115 -4,-2.2 2,-0.6 6,-0.1 -1,-0.4 -0.995 58.1-158.0-142.0 135.3 -42.4 2.6 40.2 88 96 A S - 0 0 39 -2,-0.4 2,-1.3 -3,-0.1 6,-0.1 -0.923 6.5-168.6-110.0 98.8 -40.9 0.7 37.3 89 97 A D S S- 0 0 59 -2,-0.6 3,-0.1 1,-0.2 -17,-0.1 -0.764 85.8 -22.6 -90.3 90.3 -42.1 2.1 34.0 90 98 A G S S+ 0 0 74 -2,-1.3 -1,-0.2 1,-0.3 2,-0.1 0.137 106.4 127.7 96.0 -19.0 -40.8 -0.6 31.7 91 99 A L S S- 0 0 14 1,-0.1 -1,-0.3 2,-0.1 -3,-0.1 -0.467 71.3-116.9 -71.1 145.3 -38.2 -2.0 34.1 92 100 A V S S- 0 0 52 -2,-0.1 2,-0.2 -3,-0.1 -1,-0.1 0.737 88.8 -21.0 -47.1 -36.7 -38.3 -5.8 34.8 93 101 A C S S- 0 0 23 -9,-0.1 2,-0.2 -6,-0.0 -6,-0.1 -0.868 85.1 -71.7-159.9-177.3 -39.0 -5.0 38.6 94 102 A L - 0 0 72 -2,-0.2 2,-0.7 -9,-0.1 -9,-0.2 -0.530 49.2-109.7 -84.4 159.3 -38.6 -2.2 41.2 95 103 A L + 0 0 2 -11,-2.3 -65,-0.1 -14,-0.2 -66,-0.1 -0.818 46.9 160.1 -95.4 116.5 -35.2 -1.3 42.5 96 104 A K + 0 0 133 -67,-1.4 -66,-0.2 -2,-0.7 -1,-0.2 0.882 57.1 22.9-101.7 -51.7 -34.8 -2.4 46.1 97 105 A K E -b 30 0A 121 -68,-1.3 -66,-2.2 -70,-0.1 -1,-0.3 -0.968 65.6-139.9-128.9 126.0 -31.2 -2.6 47.2 98 106 A P E -b 31 0A 40 0, 0.0 2,-0.8 0, 0.0 -66,-0.2 -0.477 15.1-134.0 -74.4 146.5 -28.1 -0.9 45.8 99 107 A F - 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0 0 62 -2,-0.3 3,-2.1 -5,-0.2 4,-0.2 -0.879 10.0-162.0-104.9 94.8 -41.6 -13.1 -1.5 456 535 A P G > S+ 0 0 0 0, 0.0 3,-1.6 0, 0.0 4,-0.2 0.752 83.6 68.4 -50.6 -30.2 -40.6 -9.3 -1.5 457 536 A V G > S+ 0 0 8 -10,-0.8 3,-1.2 1,-0.3 8,-0.1 0.645 80.1 77.2 -62.1 -22.0 -43.8 -8.3 0.6 458 537 A K G < S+ 0 0 9 -3,-2.1 -1,-0.3 1,-0.2 36,-0.1 0.733 99.5 43.7 -62.0 -18.3 -42.4 -10.1 3.6 459 538 A W G < S+ 0 0 10 -3,-1.6 2,-0.3 -4,-0.2 -1,-0.2 0.449 94.5 107.6-100.8 -6.1 -40.1 -7.0 4.0 460 539 A Y < - 0 0 5 -3,-1.2 15,-0.1 -4,-0.2 10,-0.0 -0.597 68.6-126.4 -87.0 137.9 -42.9 -4.4 3.3 461 540 A A >> - 0 0 0 -2,-0.3 3,-1.6 13,-0.2 4,-1.3 -0.286 35.6-104.0 -68.3 158.0 -44.4 -2.2 6.0 462 541 A P H 3> S+ 0 0 1 0, 0.0 4,-2.5 0, 0.0 3,-0.3 0.902 122.2 54.9 -55.3 -37.7 -48.3 -2.4 6.2 463 542 A E H 3> S+ 0 0 10 69,-0.3 6,-1.8 1,-0.2 4,-1.1 0.586 104.7 55.6 -69.9 -13.5 -48.6 1.1 4.4 464 543 A C H <> S+ 0 0 3 -3,-1.6 4,-0.7 4,-0.3 -1,-0.2 0.830 112.9 38.6 -82.1 -45.6 -46.4 -0.2 1.5 465 544 A I H < S+ 0 0 15 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.0 0.954 128.6 34.3 -70.1 -50.6 -48.6 -3.3 0.7 466 545 A N H < S+ 0 0 63 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.896 138.2 13.5 -72.0 -51.1 -51.9 -1.4 1.3 467 546 A Y H < S- 0 0 166 -4,-1.1 -3,-0.2 -5,-0.2 -1,-0.1 0.309 90.4-125.2-114.4 3.4 -51.2 2.2 0.1 468 547 A Y < + 0 0 120 -4,-0.7 2,-0.9 1,-0.2 -4,-0.3 0.731 55.2 153.9 53.6 30.4 -47.9 1.8 -1.9 469 548 A K - 0 0 104 -6,-1.8 2,-0.5 2,-0.0 -1,-0.2 -0.787 24.4-168.8 -94.8 98.7 -46.2 4.5 0.2 470 549 A F + 0 0 41 -2,-0.9 2,-0.3 -3,-0.1 -58,-0.1 -0.766 22.2 146.0 -88.9 126.0 -42.4 4.0 0.3 471 550 A S >> - 0 0 37 -2,-0.5 4,-1.6 1,-0.1 3,-0.5 -0.945 65.0 -94.1-149.5 171.1 -40.5 6.1 2.9 472 551 A S H 3> S+ 0 0 21 -2,-0.3 4,-1.5 1,-0.3 -65,-0.1 0.860 126.1 57.8 -61.0 -29.7 -37.5 6.0 5.2 473 552 A K H 3> S+ 0 0 57 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.853 104.6 48.4 -68.6 -35.9 -40.0 4.9 7.9 474 553 A S H <> S+ 0 0 2 -3,-0.5 4,-1.8 1,-0.2 -1,-0.2 0.786 106.9 56.4 -75.0 -24.3 -41.0 1.8 5.7 475 554 A D H X S+ 0 0 0 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.857 101.2 59.1 -68.6 -35.3 -37.3 1.1 5.3 476 555 A V H X S+ 0 0 0 -4,-1.5 4,-1.2 2,-0.2 -2,-0.2 0.901 104.7 49.6 -58.3 -41.2 -37.2 1.0 9.2 477 556 A W H >X S+ 0 0 0 -4,-1.1 4,-1.3 1,-0.2 3,-0.7 0.937 109.3 50.1 -61.5 -51.2 -39.8 -1.8 9.0 478 557 A S H 3X S+ 0 0 3 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.833 104.8 59.4 -55.4 -36.5 -37.8 -3.8 6.5 479 558 A F H 3X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.846 102.0 53.5 -63.9 -35.7 -34.7 -3.4 8.8 480 559 A G H S+ 0 0 4 -4,-2.4 5,-2.5 2,-0.2 6,-0.5 0.888 111.7 49.9 -59.8 -43.3 -33.0 -12.8 9.2 486 565 A A H ><5S+ 0 0 1 -4,-2.2 3,-1.5 1,-0.2 -2,-0.2 0.939 112.4 45.1 -62.1 -49.7 -29.6 -12.0 10.7 487 566 A F H 3<5S+ 0 0 6 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.690 110.3 55.8 -69.7 -17.5 -30.4 -13.5 14.1 488 567 A S T ><5S- 0 0 5 -4,-1.3 3,-1.1 -5,-0.2 -1,-0.3 0.129 114.7-117.5 -97.6 11.3 -32.0 -16.6 12.4 489 568 A Y T < 5S- 0 0 51 -3,-1.5 -3,-0.2 1,-0.3 -2,-0.1 0.841 78.2 -37.5 54.0 44.2 -28.7 -17.2 10.5 490 569 A G T 3 S- 0 0 5 1,-0.1 3,-2.2 -2,-0.1 8,-0.1 0.939 96.2-128.2 49.4 59.5 -42.7 -15.9 7.8 495 574 A R T 3 S- 0 0 180 -3,-0.4 -1,-0.1 1,-0.3 3,-0.1 -0.080 76.1 -11.0 -43.4 122.8 -42.0 -19.6 7.0 496 575 A G T 3 S+ 0 0 75 1,-0.2 -1,-0.3 -3,-0.1 2,-0.1 0.457 102.1 134.4 62.6 7.3 -44.3 -21.1 4.4 497 576 A M < - 0 0 57 -3,-2.2 2,-0.3 -4,-0.2 -1,-0.2 -0.449 49.6-132.0 -87.3 161.7 -46.7 -18.1 4.5 498 577 A K > - 0 0 117 -2,-0.1 4,-2.7 -3,-0.1 3,-0.2 -0.719 29.3-108.3-103.8 156.8 -48.3 -16.2 1.5 499 578 A G H > S+ 0 0 10 -51,-0.3 4,-2.8 -2,-0.3 5,-0.1 0.823 122.5 51.5 -53.0 -39.1 -48.3 -12.3 1.2 500 579 A S H > S+ 0 0 90 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.907 112.3 46.1 -64.0 -44.9 -52.1 -12.3 2.0 501 580 A E H > S+ 0 0 96 2,-0.2 4,-1.5 -3,-0.2 -2,-0.2 0.863 113.3 49.7 -66.8 -41.1 -51.5 -14.5 5.1 502 581 A V H X S+ 0 0 2 -4,-2.7 4,-2.1 2,-0.2 3,-0.3 0.964 110.9 49.5 -62.9 -53.7 -48.5 -12.2 6.2 503 582 A T H X S+ 0 0 25 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.895 112.7 46.3 -51.1 -51.8 -50.6 -9.0 5.7 504 583 A A H X S+ 0 0 50 -4,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.809 109.8 54.7 -63.9 -33.9 -53.6 -10.3 7.8 505 584 A M H <>S+ 0 0 22 -4,-1.5 5,-1.8 -3,-0.3 3,-0.3 0.918 109.0 48.4 -63.1 -46.3 -51.2 -11.6 10.6 506 585 A L H ><5S+ 0 0 2 -4,-2.1 3,-1.2 1,-0.2 -2,-0.2 0.829 104.2 59.4 -65.1 -35.5 -49.7 -8.1 10.9 507 586 A E H 3<5S+ 0 0 92 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.868 101.7 55.1 -60.9 -38.6 -53.2 -6.4 11.1 508 587 A K T 3<5S- 0 0 139 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.559 121.3-110.6 -69.8 -12.8 -53.9 -8.6 14.2 509 588 A G T < 5S+ 0 0 49 -3,-1.2 -3,-0.2 1,-0.3 2,-0.2 0.520 71.9 145.2 89.0 8.5 -50.8 -7.1 15.8 510 589 A E < - 0 0 107 -5,-1.8 -1,-0.3 -6,-0.2 2,-0.3 -0.521 25.4-176.5 -77.3 145.6 -49.1 -10.6 15.5 511 590 A R - 0 0 49 -2,-0.2 16,-0.0 -3,-0.1 -5,-0.0 -0.909 32.5 -79.6-138.5 164.6 -45.3 -10.6 14.8 512 591 A M - 0 0 13 -2,-0.3 2,-0.1 1,-0.1 -1,-0.0 -0.243 55.4-105.8 -60.5 150.8 -42.5 -13.1 14.1 513 592 A G - 0 0 46 1,-0.1 -1,-0.1 -29,-0.0 0, 0.0 -0.320 37.5 -85.5 -79.9 166.5 -41.0 -14.8 17.2 514 593 A C - 0 0 61 1,-0.1 -1,-0.1 -2,-0.1 3,-0.1 -0.589 50.9-119.2 -73.1 116.9 -37.6 -14.2 18.9 515 594 A P > - 0 0 12 0, 0.0 3,-2.2 0, 0.0 -27,-0.1 -0.197 40.0 -82.2 -56.1 149.8 -34.9 -16.2 17.1 516 595 A A T 3 S+ 0 0 97 1,-0.3 0, 0.0 -28,-0.0 0, 0.0 -0.287 117.1 6.4 -53.0 129.9 -33.0 -18.9 19.1 517 596 A G T 3 S+ 0 0 72 1,-0.2 -1,-0.3 -3,-0.1 -128,-0.1 0.583 93.1 142.3 68.2 15.0 -30.1 -17.1 21.0 518 597 A C < - 0 0 13 -3,-2.2 -1,-0.2 1,-0.1 5,-0.1 -0.767 55.7-111.8 -87.0 129.5 -31.3 -13.6 20.0 519 598 A P >> - 0 0 19 0, 0.0 4,-2.0 0, 0.0 3,-0.9 -0.283 17.3-123.3 -59.6 146.3 -30.9 -11.0 22.8 520 599 A R H 3> S+ 0 0 98 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.894 112.6 54.1 -53.6 -46.5 -34.1 -9.6 24.4 521 600 A E H 3> S+ 0 0 38 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.762 107.9 49.5 -63.4 -27.3 -33.0 -6.0 23.5 522 601 A M H <> S+ 0 0 3 -3,-0.9 4,-2.7 2,-0.2 -1,-0.2 0.887 111.2 48.2 -79.0 -37.9 -32.5 -7.0 19.8 523 602 A Y H X S+ 0 0 51 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.897 111.3 51.9 -66.2 -38.5 -36.0 -8.6 19.7 524 603 A D H X S+ 0 0 65 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.859 109.7 49.1 -63.4 -39.4 -37.4 -5.3 21.4 525 604 A L H X S+ 0 0 2 -4,-1.4 4,-2.3 2,-0.2 3,-0.2 0.958 109.7 51.2 -63.5 -48.7 -35.6 -3.3 18.6 526 605 A M H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.886 110.8 50.1 -51.6 -46.2 -37.2 -5.6 15.9 527 606 A N H < S+ 0 0 51 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.843 108.5 51.0 -63.5 -36.8 -40.6 -4.9 17.6 528 607 A L H >< S+ 0 0 56 -4,-1.8 3,-0.8 -3,-0.2 -1,-0.2 0.900 109.7 49.8 -66.8 -41.0 -40.0 -1.2 17.6 529 608 A C H 3< S+ 0 0 0 -4,-2.3 2,-0.9 1,-0.3 -2,-0.2 0.899 105.1 61.0 -63.1 -38.5 -39.2 -1.3 13.8 530 609 A W T 3< S+ 0 0 2 -4,-2.0 2,-0.6 -5,-0.2 -1,-0.3 -0.196 72.5 143.1 -82.4 42.3 -42.4 -3.3 13.4 531 610 A T < - 0 0 32 -2,-0.9 6,-0.1 -3,-0.8 -54,-0.1 -0.787 44.8-149.6 -87.0 120.9 -44.6 -0.4 14.7 532 611 A Y S S+ 0 0 84 -2,-0.6 -69,-0.3 -26,-0.1 2,-0.2 0.950 79.7 71.9 -52.5 -57.3 -47.8 -0.5 12.6 533 612 A D S > S- 0 0 52 1,-0.1 4,-0.8 -3,-0.1 3,-0.3 -0.445 74.2-148.8 -66.5 123.6 -48.4 3.4 12.9 534 613 A V T 4 S+ 0 0 31 -2,-0.2 3,-0.4 1,-0.2 -1,-0.1 0.847 95.8 54.2 -61.8 -39.9 -45.8 5.3 10.7 535 614 A E T 4 S+ 0 0 147 1,-0.2 -1,-0.2 0, 0.0 -2,-0.0 0.808 111.5 44.0 -67.4 -33.6 -45.8 8.3 13.1 536 615 A N T 4 S+ 0 0 122 -3,-0.3 -1,-0.2 2,-0.1 -2,-0.2 0.529 93.6 97.3 -85.7 -15.0 -44.9 6.1 16.2 537 616 A R S < S- 0 0 2 -4,-0.8 -8,-0.1 -3,-0.4 -9,-0.1 -0.618 80.3-117.2 -75.0 132.2 -42.3 4.1 14.3 538 617 A P - 0 0 22 0, 0.0 2,-0.2 0, 0.0 -62,-0.1 -0.241 18.9-125.8 -68.8 161.8 -38.7 5.4 14.8 539 618 A G > - 0 0 17 -63,-0.1 4,-1.8 -64,-0.0 3,-0.1 -0.399 37.1 -94.6 -89.1 174.0 -36.4 6.8 12.1 540 619 A F H > S+ 0 0 0 2,-0.2 4,-3.5 1,-0.2 5,-0.3 0.797 120.9 65.1 -67.2 -28.2 -32.9 5.4 11.5 541 620 A A H > S+ 0 0 48 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.964 109.7 38.5 -58.7 -48.4 -31.2 8.0 13.7 542 621 A A H > S+ 0 0 51 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.867 116.8 51.6 -68.8 -40.2 -33.1 6.5 16.7 543 622 A V H X S+ 0 0 1 -4,-1.8 4,-2.6 2,-0.2 5,-0.2 0.961 111.4 46.6 -61.8 -53.1 -32.6 2.9 15.4 544 623 A E H X S+ 0 0 2 -4,-3.5 4,-3.2 -144,-0.3 -2,-0.2 0.899 114.1 48.5 -55.6 -44.1 -28.8 3.4 14.9 545 624 A L H X S+ 0 0 49 -4,-1.9 4,-2.3 -5,-0.3 -1,-0.2 0.914 112.5 47.2 -66.1 -41.5 -28.4 5.0 18.4 546 625 A R H X S+ 0 0 97 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.904 117.1 43.8 -64.5 -43.3 -30.4 2.3 20.1 547 626 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.910 112.4 52.4 -67.1 -44.4 -28.3 -0.4 18.3 548 627 A R H X S+ 0 0 31 -4,-3.2 4,-2.9 -5,-0.2 5,-0.2 0.892 108.8 51.1 -54.8 -47.9 -25.0 1.4 18.9 549 628 A N H X S+ 0 0 13 -4,-2.3 4,-1.7 2,-0.2 -512,-0.2 0.882 113.4 43.0 -60.9 -44.4 -25.7 1.6 22.7 550 629 A Y H X S+ 0 0 28 -4,-1.6 4,-2.0 2,-0.2 5,-0.2 0.903 114.5 51.5 -67.9 -44.7 -26.5 -2.1 22.9 551 630 A Y H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.933 112.0 45.9 -56.1 -51.4 -23.4 -3.0 20.7 552 631 A Y H < S+ 0 0 10 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.858 112.5 52.3 -63.8 -33.5 -21.0 -0.8 22.8 553 632 A D H < S+ 0 0 7 -4,-1.7 -539,-0.7 -5,-0.2 -1,-0.2 0.865 119.2 32.2 -71.7 -35.8 -22.5 -2.3 26.0 554 633 A V H < S+ 0 0 16 -4,-2.0 2,-0.7 -3,-0.1 -2,-0.2 0.744 99.3 81.3 -92.5 -30.9 -22.0 -6.1 25.0 555 634 A V < 0 0 13 -4,-2.4 -1,-0.1 -5,-0.2 -541,-0.0 -0.792 360.0 360.0 -89.6 110.0 -18.9 -6.1 22.8 556 635 A N 0 0 97 -2,-0.7 -1,-0.2 -543,-0.0 -2,-0.1 0.502 360.0 360.0 59.2 360.0 -15.7 -6.1 25.0