==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 18-JUN-13 4BTJ . COMPND 2 MOLECULE: TAU-TUBULIN KINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.XUE,P.WAN,P.HILLERTZ,F.SCHWEIKART,Y.ZHAO,L.WISSLER, N.DEKK . 585 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27513.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 377 64.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 91 15.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 2 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 . 28 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 79 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 156 26.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.2 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 2 0 2 0 0 0 6 0 0 2 0 0 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 4 4 2 0 2 3 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 1 1 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 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 45 A A 0 0 151 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 112.4 0.3 22.5 -39.4 2 46 A D - 0 0 83 1,-0.1 17,-0.0 2,-0.1 0, 0.0 -0.212 360.0-126.5 -59.1 147.9 0.7 18.7 -39.9 3 47 A I S S+ 0 0 53 1,-0.2 -1,-0.1 41,-0.1 42,-0.0 0.919 101.4 32.5 -60.5 -43.4 4.1 17.1 -40.2 4 48 A L S S- 0 0 3 40,-0.1 -1,-0.2 4,-0.0 2,-0.1 -0.959 81.0-141.7-119.7 129.3 2.9 15.5 -43.5 5 49 A P > - 0 0 81 0, 0.0 3,-1.9 0, 0.0 11,-0.2 -0.422 42.1 -76.6 -81.7 164.9 0.3 16.9 -45.9 6 50 A A T 3 S+ 0 0 64 1,-0.2 11,-0.2 -2,-0.1 3,-0.1 -0.279 119.7 18.1 -57.8 139.4 -2.4 14.9 -47.8 7 51 A N T 3 S+ 0 0 95 9,-3.1 -1,-0.2 1,-0.3 10,-0.1 0.324 85.1 145.6 74.9 -0.7 -0.9 12.9 -50.7 8 52 A Y < - 0 0 90 -3,-1.9 8,-2.9 7,-0.1 2,-0.5 -0.407 42.5-140.4 -62.8 138.9 2.7 13.2 -49.4 9 53 A V E -A 15 0A 56 6,-0.2 2,-0.5 -3,-0.1 3,-0.4 -0.951 7.5-149.7-112.6 122.7 4.5 9.9 -50.3 10 54 A V E >> S-A 14 0A 3 4,-3.3 4,-2.6 -2,-0.5 3,-1.8 -0.800 76.8 -18.6 -94.2 127.1 7.0 8.4 -47.8 11 55 A K T 34 S- 0 0 146 -2,-0.5 -1,-0.2 1,-0.3 0, 0.0 0.809 116.2 -70.0 47.5 38.9 9.9 6.4 -49.2 12 56 A D T 34 S+ 0 0 158 -3,-0.4 -1,-0.3 1,-0.1 3,-0.1 0.784 133.0 67.1 53.4 32.9 8.1 6.0 -52.6 13 57 A R T <4 S+ 0 0 61 -3,-1.8 21,-3.5 1,-0.2 2,-0.7 0.536 79.1 64.0-145.6 -45.6 5.6 3.7 -51.0 14 58 A W E < -AB 10 33A 8 -4,-2.6 -4,-3.3 19,-0.2 2,-0.6 -0.861 58.1-164.1-105.8 112.8 3.3 5.2 -48.3 15 59 A K E -AB 9 32A 67 17,-2.7 17,-2.7 -2,-0.7 -6,-0.2 -0.832 21.5-126.7 -96.6 117.8 0.9 7.8 -49.5 16 60 A V E + B 0 31A 1 -8,-2.9 -9,-3.1 -2,-0.6 15,-0.3 -0.385 32.1 171.0 -62.3 122.6 -0.7 10.0 -46.7 17 61 A L E - 0 0 63 13,-2.9 2,-0.3 1,-0.4 14,-0.2 0.842 61.5 -29.3 -97.9 -52.1 -4.5 9.9 -47.0 18 62 A K E - B 0 30A 121 12,-1.5 12,-2.8 -12,-0.1 -1,-0.4 -0.982 61.6 -95.2-162.1 160.4 -5.6 11.7 -43.7 19 63 A K E + B 0 29A 95 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.692 36.2 173.3 -81.9 127.0 -4.5 12.3 -40.1 20 64 A I E - 0 0 81 8,-2.5 2,-0.3 -2,-0.4 9,-0.2 0.497 60.4 -8.6-113.6 -10.3 -6.2 9.8 -37.8 21 65 A G E + B 0 28A 26 7,-1.7 7,-2.7 2,-0.0 -1,-0.3 -0.986 61.7 131.2-172.6 172.2 -4.5 10.7 -34.5 22 66 A G + 0 0 47 -2,-0.3 2,-0.7 5,-0.3 5,-0.2 -0.930 14.6 128.6 172.6-145.6 -1.8 12.6 -32.6 23 67 A G S > S+ 0 0 69 3,-0.4 3,-0.7 -2,-0.3 2,-0.2 -0.903 71.9 57.2 102.8-106.8 -1.1 14.8 -29.6 24 68 A G T 3 S- 0 0 66 -2,-0.7 0, 0.0 1,-0.2 0, 0.0 -0.400 122.5 -10.4 -67.4 127.9 1.8 13.5 -27.6 25 69 A F T 3 S- 0 0 77 -2,-0.2 2,-0.3 133,-0.0 -1,-0.2 0.288 122.5 -49.6 68.4 0.5 5.2 12.9 -29.4 26 70 A G S < S- 0 0 16 -3,-0.7 -3,-0.4 19,-0.2 2,-0.3 -0.975 72.5 -52.1 142.7-157.5 3.9 13.4 -33.0 27 71 A E E - C 0 44A 30 17,-1.9 17,-3.3 -2,-0.3 2,-0.4 -0.890 25.5-147.9-128.5 155.8 1.1 12.3 -35.5 28 72 A I E -BC 21 43A 39 -7,-2.7 -8,-2.5 -2,-0.3 -7,-1.7 -0.970 19.1-172.3-123.5 133.2 -0.5 9.3 -36.9 29 73 A Y E -BC 19 42A 2 13,-2.7 13,-2.9 -2,-0.4 2,-0.5 -0.900 28.5-124.2-122.3 155.1 -1.9 9.0 -40.5 30 74 A E E -BC 18 41A 35 -12,-2.8 -13,-2.9 -2,-0.3 -12,-1.5 -0.834 43.8-179.5 -89.6 130.6 -3.9 6.5 -42.5 31 75 A A E -BC 16 40A 0 9,-2.5 9,-3.2 -2,-0.5 2,-0.5 -0.968 30.1-121.9-132.8 153.3 -1.8 5.9 -45.6 32 76 A M E -BC 15 39A 28 -17,-2.7 -17,-2.7 -2,-0.3 2,-0.9 -0.825 23.6-135.8 -94.1 128.6 -2.2 3.8 -48.8 33 77 A D E > -B 14 0A 0 5,-2.5 4,-2.7 -2,-0.5 5,-0.3 -0.787 15.2-164.5 -84.0 106.0 0.7 1.3 -49.3 34 78 A L T 4 S+ 0 0 73 -21,-3.5 -1,-0.2 -2,-0.9 -20,-0.1 0.693 85.7 50.1 -66.8 -19.8 1.5 1.7 -53.0 35 79 A L T 4 S+ 0 0 125 -22,-0.3 -1,-0.2 3,-0.1 -21,-0.1 0.819 125.9 21.6 -85.0 -39.9 3.5 -1.6 -53.0 36 80 A T T 4 S- 0 0 66 2,-0.2 -2,-0.2 -23,-0.2 3,-0.1 0.589 94.6-129.0-107.2 -15.3 0.9 -3.9 -51.4 37 81 A R < + 0 0 158 -4,-2.7 2,-0.3 1,-0.3 -3,-0.1 0.578 65.0 127.5 72.4 18.2 -2.3 -1.9 -52.0 38 82 A E - 0 0 69 -5,-0.3 -5,-2.5 -6,-0.0 2,-0.3 -0.764 65.1-114.8-106.0 148.3 -3.4 -2.1 -48.4 39 83 A N E +C 32 0A 41 -2,-0.3 50,-0.6 -7,-0.2 2,-0.3 -0.641 45.6 179.2 -75.6 132.8 -4.4 0.8 -46.1 40 84 A V E -CD 31 88A 0 -9,-3.2 -9,-2.5 -2,-0.3 2,-0.5 -0.847 31.7-108.4-130.8 171.5 -1.9 1.2 -43.3 41 85 A A E -CD 30 87A 6 46,-2.9 46,-2.5 -2,-0.3 2,-0.6 -0.908 27.5-164.0-106.2 128.2 -1.1 3.3 -40.2 42 86 A L E -CD 29 86A 0 -13,-2.9 -13,-2.7 -2,-0.5 2,-0.5 -0.956 3.0-164.5-116.0 112.0 1.9 5.6 -40.5 43 87 A K E -CD 28 85A 35 42,-3.3 42,-2.0 -2,-0.6 2,-0.3 -0.871 13.2-177.6-102.2 125.6 3.2 7.0 -37.2 44 88 A V E -CD 27 84A 2 -17,-3.3 -17,-1.9 -2,-0.5 2,-0.3 -0.943 16.9-172.5-128.1 146.8 5.6 10.0 -37.5 45 89 A E E - D 0 83A 2 38,-2.0 38,-2.7 -2,-0.3 -19,-0.2 -0.990 35.2-107.8-131.7 139.7 7.6 12.2 -35.1 46 90 A S E > - D 0 82A 37 -2,-0.3 3,-1.2 36,-0.2 36,-0.3 -0.384 20.1-132.6 -63.3 142.7 9.5 15.4 -36.1 47 91 A A T 3 S+ 0 0 21 34,-2.1 35,-0.2 1,-0.2 -1,-0.1 0.572 105.8 61.9 -73.1 -8.0 13.3 15.0 -36.2 48 92 A Q T 3 S+ 0 0 162 33,-0.4 -1,-0.2 3,-0.0 -2,-0.1 0.076 73.9 117.7-104.6 19.7 13.5 18.3 -34.1 49 93 A Q < - 0 0 40 -3,-1.2 3,-0.0 1,-0.1 -4,-0.0 -0.744 64.2-140.0 -85.7 128.6 11.6 16.9 -31.1 50 94 A P S S+ 0 0 72 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.920 94.8 49.2 -59.2 -41.9 13.8 16.9 -27.9 51 95 A K S S- 0 0 50 -3,-0.1 2,-0.7 491,-0.0 -3,-0.0 -0.874 76.1-165.8-101.6 109.6 12.5 13.4 -26.9 52 96 A Q + 0 0 82 -2,-0.7 4,-0.2 1,-0.1 3,-0.1 -0.874 16.7 166.0 -97.3 114.1 12.7 11.0 -29.8 53 97 A V >> + 0 0 10 -2,-0.7 4,-2.1 -28,-0.2 3,-0.6 0.581 51.5 87.7-108.1 -12.2 10.6 7.9 -28.9 54 98 A L H 3> S+ 0 0 7 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.770 83.1 61.9 -60.7 -28.5 10.2 6.0 -32.3 55 99 A K H 3> S+ 0 0 157 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.927 109.9 41.2 -61.5 -46.4 13.4 4.1 -31.8 56 100 A M H <> S+ 0 0 64 -3,-0.6 4,-2.6 2,-0.2 5,-0.2 0.928 113.9 53.4 -64.9 -48.2 11.8 2.5 -28.7 57 101 A E H X S+ 0 0 2 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.900 111.4 45.4 -52.8 -49.1 8.4 2.1 -30.5 58 102 A V H X S+ 0 0 19 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.944 112.3 50.6 -62.0 -51.5 10.1 0.2 -33.4 59 103 A A H X S+ 0 0 49 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.886 115.7 42.4 -54.6 -46.0 12.2 -2.0 -31.1 60 104 A V H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.924 112.8 52.1 -69.9 -46.2 9.1 -3.0 -29.0 61 105 A L H < S+ 0 0 2 -4,-2.8 4,-0.4 -5,-0.2 -2,-0.2 0.902 112.8 45.9 -57.1 -41.2 6.8 -3.5 -32.0 62 106 A K H >< S+ 0 0 107 -4,-2.6 3,-1.6 1,-0.2 -2,-0.2 0.943 110.7 52.3 -66.6 -46.9 9.4 -5.8 -33.6 63 107 A K H 3< S+ 0 0 111 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.831 108.5 53.5 -58.9 -29.3 9.9 -7.8 -30.4 64 108 A L T >< S+ 0 0 1 -4,-2.0 3,-2.2 -5,-0.1 -1,-0.3 0.527 76.5 124.0 -84.3 -8.8 6.1 -8.2 -30.2 65 109 A Q T < S+ 0 0 72 -3,-1.6 3,-0.1 -4,-0.4 7,-0.1 -0.325 74.1 31.5 -57.1 128.6 5.7 -9.8 -33.7 66 110 A G T 3 S+ 0 0 86 1,-0.4 -1,-0.3 4,-0.1 2,-0.2 0.083 96.3 111.9 106.8 -19.0 4.0 -13.2 -33.4 67 111 A K S X S- 0 0 88 -3,-2.2 3,-0.7 1,-0.1 -1,-0.4 -0.528 71.8-111.7 -85.2 149.5 2.0 -12.1 -30.3 68 112 A D T 3 S+ 0 0 75 1,-0.2 -1,-0.1 -2,-0.2 3,-0.1 -0.341 98.7 33.3 -72.7 162.5 -1.8 -11.7 -30.3 69 113 A H T 3 S+ 0 0 4 1,-0.2 85,-2.5 84,-0.1 2,-0.4 0.676 95.8 116.0 63.6 19.1 -3.3 -8.1 -29.9 70 114 A V < - 0 0 17 -3,-0.7 -1,-0.2 83,-0.2 -4,-0.1 -0.970 67.1-118.5-124.0 137.7 -0.3 -6.6 -31.8 71 115 A C - 0 0 3 83,-0.5 2,-0.2 -2,-0.4 -7,-0.1 -0.410 37.3-105.6 -63.4 145.2 -0.2 -4.7 -35.2 72 116 A R - 0 0 111 -2,-0.1 16,-2.3 -7,-0.1 2,-0.3 -0.560 34.9-120.9 -72.3 132.7 1.9 -6.3 -37.9 73 117 A F E +E 87 0A 44 -2,-0.2 14,-0.2 14,-0.2 3,-0.1 -0.647 37.2 171.3 -74.5 131.2 5.1 -4.3 -38.3 74 118 A I E - 0 0 20 12,-2.8 2,-0.3 1,-0.4 13,-0.2 0.768 51.8 -49.1-112.0 -43.5 5.3 -3.0 -42.0 75 119 A G E -E 86 0A 11 11,-1.6 11,-3.3 2,-0.0 -1,-0.4 -0.974 42.1-157.9-179.3 178.1 8.3 -0.6 -42.0 76 120 A C E +E 85 0A 44 -2,-0.3 2,-0.3 9,-0.3 9,-0.2 -0.949 13.6 164.2-167.0 160.5 10.3 2.3 -40.5 77 121 A G E -E 84 0A 22 7,-1.8 7,-2.5 -2,-0.3 2,-0.3 -0.966 20.8-133.5-170.5 177.2 12.8 4.9 -41.4 78 122 A R E +E 83 0A 194 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.993 22.0 161.0-147.8 143.7 14.5 8.2 -40.5 79 123 A N - 0 0 53 3,-1.7 -2,-0.0 -2,-0.3 -32,-0.0 -0.875 54.9 -84.6-149.6 177.2 15.4 11.5 -42.3 80 124 A E S S+ 0 0 168 -2,-0.3 3,-0.1 1,-0.2 -33,-0.1 0.673 125.2 38.2 -62.1 -26.3 16.3 15.1 -41.4 81 125 A K S S- 0 0 158 1,-0.3 -34,-2.1 -35,-0.1 -33,-0.4 0.810 125.2 -7.0 -96.0 -38.8 12.7 16.2 -41.2 82 126 A F E -D 46 0A 5 -36,-0.3 -3,-1.7 -35,-0.2 2,-0.3 -0.982 48.6-134.5-155.9 163.5 10.9 13.2 -39.5 83 127 A N E -DE 45 78A 20 -38,-2.7 -38,-2.0 -2,-0.3 2,-0.3 -0.858 32.7-169.5-116.0 153.2 11.1 9.5 -38.2 84 128 A Y E -DE 44 77A 10 -7,-2.5 -7,-1.8 -2,-0.3 2,-0.3 -0.984 22.9-161.8-150.4 158.5 8.4 7.0 -39.0 85 129 A V E -DE 43 76A 0 -42,-2.0 -42,-3.3 -2,-0.3 2,-0.4 -0.983 13.7-156.0-135.1 141.1 6.9 3.6 -38.3 86 130 A V E +DE 42 75A 0 -11,-3.3 -12,-2.8 -2,-0.3 -11,-1.6 -0.947 25.9 155.0-121.5 132.7 4.4 1.8 -40.6 87 131 A M E -DE 41 73A 15 -46,-2.5 -46,-2.9 -2,-0.4 -14,-0.2 -0.953 48.4 -59.9-150.9 170.3 2.1 -0.8 -39.2 88 132 A Q E -D 40 0A 39 -16,-2.3 2,-0.4 -2,-0.3 -48,-0.2 -0.246 55.6-122.1 -55.4 134.5 -1.2 -2.6 -39.6 89 133 A L - 0 0 9 -50,-0.6 55,-0.4 -58,-0.1 2,-0.2 -0.691 32.6-173.0 -84.6 133.6 -4.2 -0.2 -39.6 90 134 A Q - 0 0 18 -2,-0.4 53,-0.2 1,-0.2 3,-0.1 -0.507 19.6-107.4-114.1-174.5 -6.9 -0.8 -37.0 91 135 A G - 0 0 34 51,-3.3 -1,-0.2 1,-0.2 53,-0.1 0.238 64.6 -22.7 -92.2-145.9 -10.3 0.7 -36.2 92 136 A R - 0 0 115 51,-0.2 50,-2.3 49,-0.1 -1,-0.2 -0.334 62.7-118.7 -70.7 145.3 -11.6 3.0 -33.5 93 137 A N B > -F 141 0B 51 48,-0.2 4,-2.6 -3,-0.1 48,-0.3 -0.425 23.8-112.9 -80.6 159.7 -9.9 3.3 -30.1 94 138 A L H > S+ 0 0 0 46,-2.2 4,-2.3 43,-1.3 44,-0.2 0.733 114.7 55.4 -65.4 -27.9 -11.6 2.5 -26.7 95 139 A A H > S+ 0 0 5 42,-0.3 4,-2.6 45,-0.3 -1,-0.2 0.924 111.8 43.9 -71.0 -45.5 -11.7 6.1 -25.5 96 140 A D H > S+ 0 0 59 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.942 115.3 49.0 -61.8 -50.1 -13.6 7.1 -28.6 97 141 A L H < S+ 0 0 5 -4,-2.6 4,-0.3 1,-0.2 -2,-0.2 0.883 113.1 47.5 -59.8 -38.8 -15.8 4.0 -28.4 98 142 A R H >< S+ 0 0 13 -4,-2.3 3,-1.8 1,-0.2 6,-0.2 0.940 110.2 50.9 -67.2 -46.7 -16.6 4.8 -24.7 99 143 A R H 3< S+ 0 0 153 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.818 105.3 58.1 -61.1 -30.1 -17.3 8.5 -25.3 100 144 A S T 3< S+ 0 0 68 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.551 84.9 102.7 -75.8 -11.4 -19.8 7.4 -28.1 101 145 A Q S X S- 0 0 35 -3,-1.8 3,-1.1 -4,-0.3 5,-0.1 -0.475 87.1-113.2 -72.1 144.3 -21.8 5.3 -25.5 102 146 A P T 3 S+ 0 0 123 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.831 114.4 19.3 -46.7 -44.0 -25.1 7.0 -24.3 103 147 A R T 3 S- 0 0 223 2,-0.3 3,-0.1 -5,-0.1 -4,-0.1 0.229 113.4-104.6-111.5 10.9 -23.9 7.4 -20.7 104 148 A G S < S+ 0 0 13 -3,-1.1 2,-0.3 1,-0.3 -5,-0.1 0.748 89.1 111.7 69.9 25.9 -20.1 7.1 -21.4 105 149 A T - 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0 0 114 -2,-0.2 3,-2.3 1,-0.2 4,-0.4 -0.587 19.8-152.4 -70.6 100.5 -10.3 4.6 -0.3 237 281 A H G > S+ 0 0 23 -2,-1.0 3,-0.9 1,-0.3 4,-0.4 0.704 90.5 68.4 -53.0 -20.5 -9.7 2.3 -3.4 238 282 A R G > S+ 0 0 105 1,-0.2 3,-1.4 2,-0.2 -1,-0.3 0.818 89.2 64.1 -66.2 -32.1 -12.5 0.0 -2.1 239 283 A M G X S+ 0 0 112 -3,-2.3 3,-1.1 1,-0.3 -1,-0.2 0.737 92.2 64.3 -62.2 -26.5 -15.0 2.9 -2.9 240 284 A L G < S+ 0 0 10 -3,-0.9 3,-0.4 -4,-0.4 -1,-0.3 0.736 97.6 57.8 -68.7 -19.6 -14.0 2.4 -6.6 241 285 A L G X S+ 0 0 7 -3,-1.4 3,-1.8 -4,-0.4 -1,-0.2 0.426 71.7 104.4 -91.2 1.3 -15.5 -1.1 -6.3 242 286 A K T < S+ 0 0 167 -3,-1.1 -1,-0.2 1,-0.3 -2,-0.1 0.852 96.4 25.8 -48.4 -46.9 -19.1 0.0 -5.3 243 287 A H T 3 S+ 0 0 130 -3,-0.4 -1,-0.3 -4,-0.2 -2,-0.1 0.114 107.7 99.5-107.1 19.8 -20.5 -0.7 -8.8 244 288 A M S < S- 0 0 12 -3,-1.8 5,-0.1 1,-0.1 -3,-0.0 -0.745 86.9 -85.6-103.9 156.7 -17.9 -3.4 -9.8 245 289 A P > - 0 0 0 0, 0.0 3,-2.1 0, 0.0 4,-0.2 -0.272 44.8-117.2 -56.4 141.5 -18.2 -7.2 -9.7 246 290 A S T > S+ 0 0 93 1,-0.3 3,-1.5 2,-0.2 4,-0.3 0.755 110.2 67.2 -57.5 -27.1 -17.3 -8.5 -6.2 247 291 A E T >> S+ 0 0 45 1,-0.3 3,-1.5 25,-0.2 4,-1.0 0.691 77.9 84.1 -70.4 -10.6 -14.3 -10.4 -7.4 248 292 A F H <> S+ 0 0 0 -3,-2.1 4,-2.8 1,-0.3 -1,-0.3 0.767 77.1 69.6 -60.8 -21.7 -12.6 -7.1 -8.3 249 293 A H H <> S+ 0 0 67 -3,-1.5 4,-2.5 1,-0.2 -1,-0.3 0.866 97.7 50.7 -60.2 -37.7 -11.6 -7.0 -4.5 250 294 A L H <> S+ 0 0 90 -3,-1.5 4,-2.1 -4,-0.3 -1,-0.2 0.889 110.4 48.2 -66.7 -41.0 -9.2 -9.9 -5.4 251 295 A F H X S+ 0 0 0 -4,-1.0 4,-2.5 2,-0.2 5,-0.2 0.969 114.7 46.1 -63.0 -54.1 -7.8 -7.9 -8.4 252 296 A L H X S+ 0 0 9 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.886 113.4 47.7 -55.3 -50.6 -7.3 -4.7 -6.2 253 297 A D H X S+ 0 0 70 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.881 111.6 51.4 -61.2 -43.8 -5.7 -6.6 -3.2 254 298 A H H >X S+ 0 0 29 -4,-2.1 3,-0.6 1,-0.2 4,-0.6 0.974 114.7 40.7 -60.6 -53.0 -3.3 -8.5 -5.5 255 299 A I H >< S+ 0 0 0 -4,-2.5 3,-0.9 1,-0.2 -2,-0.2 0.857 111.4 56.8 -65.6 -35.7 -2.0 -5.4 -7.3 256 300 A A H 3< S+ 0 0 62 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.807 107.9 49.9 -62.1 -30.8 -1.9 -3.3 -4.1 257 301 A S H << S+ 0 0 92 -4,-1.5 -1,-0.2 -3,-0.6 -2,-0.2 0.550 95.0 95.4 -83.2 -16.7 0.5 -6.0 -2.5 258 302 A L << - 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0 0 0 13,-0.2 4,-1.5 -2,-0.1 3,-0.4 -0.309 29.3-103.8 -72.0 166.7 13.9 26.4 -5.9 481 232 B V H > S+ 0 0 25 1,-0.2 4,-2.5 2,-0.2 6,-0.2 0.821 122.9 61.1 -60.5 -29.4 10.1 26.2 -5.2 482 233 B N H 4>S+ 0 0 28 2,-0.2 5,-2.0 1,-0.2 -1,-0.2 0.896 103.2 47.0 -65.9 -42.0 11.1 24.1 -2.1 483 234 B A H >45S+ 0 0 2 -3,-0.4 3,-0.9 1,-0.2 -1,-0.2 0.827 112.7 52.2 -66.8 -33.0 13.2 27.0 -0.6 484 235 B H H 3<5S+ 0 0 24 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.909 105.0 53.2 -68.1 -44.3 10.2 29.3 -1.3 485 236 B K T 3<5S- 0 0 87 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.231 117.0-116.4 -74.2 12.1 7.7 26.9 0.5 486 237 B N T < 5 + 0 0 67 -3,-0.9 -16,-2.2 1,-0.2 -3,-0.2 0.618 65.4 151.0 57.1 19.8 10.1 27.1 3.6 487 238 B R < - 0 0 122 -5,-2.0 -1,-0.2 -6,-0.2 2,-0.2 -0.402 59.6 -87.6 -75.3 154.1 10.8 23.3 3.2 488 239 B E - 0 0 12 -21,-0.4 -1,-0.1 -2,-0.1 2,-0.1 -0.447 52.2-121.8 -64.0 126.9 14.2 21.8 4.3 489 240 B M - 0 0 14 -2,-0.2 2,-0.2 -3,-0.1 -1,-0.1 -0.430 31.5-171.1 -74.7 149.6 16.5 22.1 1.3 490 241 B G >> - 0 0 1 -2,-0.1 3,-0.9 -24,-0.0 4,-0.8 -0.639 43.5 -81.3-125.4-174.8 18.2 19.1 -0.2 491 242 B R H >> S+ 0 0 21 62,-0.4 4,-1.2 1,-0.2 3,-0.8 0.870 124.8 58.6 -58.4 -40.8 20.8 18.2 -2.8 492 243 B H H 3> S+ 0 0 6 60,-0.3 4,-1.6 63,-0.3 -1,-0.2 0.699 96.3 62.9 -61.6 -29.9 18.3 18.7 -5.7 493 244 B D H <> S+ 0 0 0 -3,-0.9 4,-1.5 2,-0.2 -1,-0.2 0.832 101.7 50.3 -67.9 -32.0 17.6 22.4 -4.6 494 245 B D H - 0 0 1 -2,-0.3 3,-1.9 -3,-0.1 4,-0.2 -0.894 36.2-114.6-117.1 148.2 14.6 34.6 -16.1 511 262 B P T 3 S+ 0 0 52 0, 0.0 3,-0.2 0, 0.0 -1,-0.0 0.703 116.3 45.9 -58.6 -20.6 10.8 35.2 -16.3 512 263 B W T > S+ 0 0 3 1,-0.1 3,-1.2 -35,-0.1 12,-0.1 0.169 77.4 115.3-107.2 14.3 10.7 36.6 -12.6 513 264 B R T < S+ 0 0 91 -3,-1.9 -1,-0.1 1,-0.2 -36,-0.1 0.828 76.9 46.3 -51.8 -45.5 13.8 38.9 -12.9 514 265 B K T 3 S+ 0 0 178 -4,-0.2 2,-0.4 -3,-0.2 -1,-0.2 0.500 92.8 96.1 -81.0 -6.8 12.0 42.2 -12.4 515 266 B I < - 0 0 45 -3,-1.2 -3,-0.0 1,-0.1 -38,-0.0 -0.747 46.5-178.5 -91.5 129.2 9.9 41.0 -9.4 516 267 B K + 0 0 185 -2,-0.4 2,-0.2 -40,-0.0 -1,-0.1 0.808 52.2 97.8 -92.4 -39.3 11.4 41.8 -5.9 517 268 B D > - 0 0 83 1,-0.1 4,-2.3 2,-0.0 5,-0.1 -0.381 62.4-149.7 -62.3 124.5 8.8 40.0 -3.6 518 269 B K H > S+ 0 0 95 2,-0.2 4,-2.5 1,-0.2 -1,-0.1 0.919 97.9 46.8 -56.3 -53.2 9.8 36.6 -2.4 519 270 B E H > S+ 0 0 132 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.831 112.7 50.2 -62.1 -37.4 6.2 35.2 -2.2 520 271 B Q H > S+ 0 0 99 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.891 111.7 47.7 -68.5 -42.2 5.4 36.6 -5.7 521 272 B V H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.921 111.5 51.6 -64.6 -43.8 8.6 35.0 -7.2 522 273 B G H X S+ 0 0 4 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.905 110.0 48.1 -56.3 -48.5 7.7 31.7 -5.5 523 274 B M H X S+ 0 0 106 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.854 111.1 51.3 -61.0 -41.9 4.1 31.7 -6.9 524 275 B I H X S+ 0 0 52 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.961 113.5 43.8 -61.6 -52.1 5.5 32.5 -10.5 525 276 B K H < S+ 0 0 2 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.855 114.1 50.9 -59.1 -42.6 8.0 29.6 -10.3 526 277 B E H < S+ 0 0 109 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.860 120.0 35.0 -64.1 -40.7 5.3 27.2 -8.8 527 278 B K H < S+ 0 0 191 -4,-2.1 -2,-0.2 -5,-0.1 -1,-0.2 0.707 96.2 105.9 -86.0 -26.6 2.8 28.1 -11.6 528 279 B Y S < S- 0 0 59 -4,-2.5 2,-1.2 -5,-0.2 3,-0.1 -0.331 75.4-126.3 -62.0 132.5 5.5 28.5 -14.4 529 280 B E > - 0 0 110 1,-0.2 3,-2.2 -2,-0.1 4,-0.4 -0.737 20.7-158.2 -81.6 98.9 5.6 25.7 -16.9 530 281 B H G > S+ 0 0 23 -2,-1.2 3,-1.0 1,-0.3 4,-0.4 0.681 85.7 72.0 -54.5 -21.5 9.3 24.9 -16.6 531 282 B R G > S+ 0 0 139 1,-0.2 3,-0.8 2,-0.2 -1,-0.3 0.747 89.3 62.7 -65.7 -24.7 9.3 23.2 -20.1 532 283 B M G X S+ 0 0 114 -3,-2.2 3,-1.3 1,-0.2 -1,-0.2 0.771 93.2 63.2 -68.2 -29.7 9.0 26.8 -21.5 533 284 B L G < S+ 0 0 9 -3,-1.0 3,-0.4 -4,-0.4 -1,-0.2 0.702 94.5 61.8 -67.6 -20.9 12.4 27.6 -19.9 534 285 B L G X S+ 0 0 26 -3,-0.8 3,-1.5 -4,-0.4 -1,-0.2 0.470 73.9 105.1 -82.3 -5.6 13.9 24.9 -22.2 535 286 B K T < S+ 0 0 161 -3,-1.3 -1,-0.2 1,-0.3 -2,-0.1 0.830 93.9 20.3 -43.7 -52.9 12.9 27.0 -25.4 536 287 B H T 3 S+ 0 0 124 -3,-0.4 -1,-0.3 -4,-0.2 -2,-0.1 0.121 107.9 100.4-109.9 21.3 16.4 28.3 -26.3 537 288 B M S < S- 0 0 15 -3,-1.5 -34,-0.0 1,-0.1 -3,-0.0 -0.664 89.5 -81.0 -98.3 157.8 18.4 25.6 -24.4 538 289 B P > - 0 0 4 0, 0.0 3,-2.2 0, 0.0 4,-0.2 -0.301 45.9-115.4 -57.5 141.5 20.0 22.5 -25.9 539 290 B S T > S+ 0 0 57 1,-0.3 3,-1.9 2,-0.2 4,-0.2 0.814 111.8 66.4 -48.7 -39.2 17.3 19.8 -26.4 540 291 B E T >> S+ 0 0 25 1,-0.3 3,-1.1 2,-0.2 4,-0.9 0.568 77.0 83.7 -62.6 -11.5 19.1 17.4 -23.8 541 292 B F H <> S+ 0 0 0 -3,-2.2 4,-2.9 1,-0.2 -1,-0.3 0.676 75.3 74.5 -66.9 -13.8 18.2 19.9 -21.1 542 293 B H H <> S+ 0 0 24 -3,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.890 96.7 47.3 -61.0 -41.3 14.8 18.1 -21.1 543 294 B L H <> S+ 0 0 71 -3,-1.1 4,-2.0 2,-0.2 -1,-0.2 0.813 111.3 50.8 -67.2 -40.3 16.6 15.2 -19.3 544 295 B F H X S+ 0 0 0 -4,-0.9 4,-2.0 2,-0.2 -2,-0.2 0.963 114.9 41.6 -64.6 -53.5 18.2 17.6 -16.8 545 296 B L H X S+ 0 0 13 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.902 114.7 51.5 -60.6 -46.5 14.9 19.3 -15.9 546 297 B D H X S+ 0 0 32 -4,-2.4 4,-0.7 -5,-0.2 -1,-0.2 0.881 110.9 48.7 -59.6 -43.1 12.9 15.9 -15.8 547 298 B H H >X S+ 0 0 14 -4,-2.0 3,-0.7 2,-0.2 4,-0.5 0.934 114.2 43.2 -64.6 -47.4 15.5 14.4 -13.4 548 299 B I H >< S+ 0 0 1 -4,-2.0 3,-0.7 1,-0.2 -2,-0.2 0.831 110.2 56.2 -69.9 -32.8 15.6 17.3 -10.9 549 300 B A H 3< S+ 0 0 61 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.703 107.1 52.0 -70.4 -17.8 11.8 17.7 -11.0 550 301 B S H << S+ 0 0 8 -4,-0.7 -1,-0.2 -3,-0.7 -373,-0.2 0.574 94.7 93.3 -94.3 -11.8 11.5 14.0 -10.0 551 302 B L << - 0 0 14 -3,-0.7 2,-0.2 -4,-0.5 5,-0.1 -0.327 51.6-171.6 -80.6 161.7 13.9 14.3 -7.0 552 303 B D > - 0 0 76 3,-0.1 3,-0.8 -2,-0.1 -60,-0.3 -0.836 44.2 -84.3-138.4-178.2 13.1 15.0 -3.3 553 304 B Y T 3 S+ 0 0 23 -2,-0.2 -62,-0.4 1,-0.2 -61,-0.0 0.824 125.0 46.2 -55.5 -39.6 15.0 15.8 -0.0 554 305 B F T 3 S+ 0 0 118 -64,-0.1 2,-0.4 2,-0.1 -1,-0.2 0.645 96.1 87.0 -83.7 -18.2 15.7 12.0 0.7 555 306 B T S < S- 0 0 33 -3,-0.8 -63,-0.3 1,-0.0 -64,-0.1 -0.726 74.7-125.2 -96.4 136.2 16.9 10.9 -2.8 556 307 B K - 0 0 113 -2,-0.4 -381,-0.1 1,-0.1 -2,-0.1 -0.530 31.7-121.9 -71.2 127.2 20.4 11.1 -4.1 557 308 B P - 0 0 5 0, 0.0 2,-1.1 0, 0.0 3,-0.2 -0.293 14.9-119.6 -68.3 157.9 20.7 13.0 -7.5 558 309 B D > + 0 0 69 1,-0.2 4,-1.3 2,-0.1 3,-0.1 -0.785 37.0 173.5 -96.8 86.0 22.1 11.4 -10.6 559 310 B Y H > S+ 0 0 21 -2,-1.1 4,-2.8 1,-0.2 -1,-0.2 0.887 76.7 58.5 -59.9 -42.0 25.1 13.8 -11.1 560 311 B Q H > S+ 0 0 119 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.861 102.3 54.3 -56.5 -39.4 26.4 11.7 -14.0 561 312 B L H > S+ 0 0 47 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.910 112.0 43.2 -59.8 -49.4 23.1 12.1 -15.9 562 313 B I H X S+ 0 0 0 -4,-1.3 4,-1.8 2,-0.2 -2,-0.2 0.900 112.4 53.3 -65.5 -40.9 23.4 16.0 -15.6 563 314 B M H X S+ 0 0 9 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.906 107.8 52.1 -60.0 -40.7 27.1 15.8 -16.6 564 315 B S H X S+ 0 0 39 -4,-2.4 4,-3.0 2,-0.2 5,-0.3 0.877 103.9 56.4 -64.8 -38.5 26.1 13.7 -19.7 565 316 B V H X S+ 0 0 2 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.954 113.4 41.0 -55.3 -51.0 23.6 16.4 -20.7 566 317 B F H X S+ 0 0 0 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.909 116.9 47.3 -63.2 -49.4 26.4 19.0 -20.7 567 318 B E H X S+ 0 0 75 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.849 116.2 44.3 -63.2 -37.7 29.0 16.7 -22.3 568 319 B N H X S+ 0 0 69 -4,-3.0 4,-1.8 2,-0.2 -2,-0.2 0.838 111.4 52.8 -77.1 -34.0 26.6 15.6 -25.1 569 320 B S H < S+ 0 0 0 -4,-2.3 4,-0.4 -5,-0.3 -2,-0.2 0.852 114.7 44.1 -65.4 -34.9 25.3 19.2 -25.7 570 321 B M H ><>S+ 0 0 10 -4,-1.8 5,-3.0 2,-0.2 3,-1.0 0.941 112.1 50.1 -72.2 -54.3 29.0 20.3 -26.1 571 322 B K H ><5S+ 0 0 149 -4,-2.2 3,-1.1 1,-0.3 -2,-0.2 0.842 107.9 53.5 -55.0 -43.5 30.1 17.3 -28.4 572 323 B E T 3<5S+ 0 0 103 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.673 113.3 44.1 -68.9 -19.7 27.1 17.8 -30.8 573 324 B R T < 5S- 0 0 100 -3,-1.0 -1,-0.2 -4,-0.4 -2,-0.2 0.283 115.8-112.9-105.3 4.5 28.1 21.5 -31.2 574 325 B G T < 5 + 0 0 58 -3,-1.1 2,-0.5 1,-0.2 -3,-0.2 0.779 57.6 165.1 65.3 30.7 31.8 20.8 -31.6 575 326 B I < - 0 0 20 -5,-3.0 2,-0.3 -6,-0.1 -1,-0.2 -0.702 19.1-160.4 -82.1 120.4 32.5 22.6 -28.3 576 327 B A > - 0 0 32 -2,-0.5 3,-1.1 1,-0.1 -170,-0.1 -0.724 26.1-129.7 -99.6 153.5 36.0 21.8 -27.0 577 328 B E T 3 S+ 0 0 106 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.739 109.6 62.3 -70.4 -24.9 37.3 22.1 -23.4 578 329 B N T 3 S+ 0 0 132 2,-0.1 -1,-0.2 0, 0.0 -3,-0.0 0.321 82.1 117.4 -82.3 4.7 40.3 24.1 -24.9 579 330 B E < - 0 0 60 -3,-1.1 2,-0.3 1,-0.1 -4,-0.0 -0.288 70.0-108.8 -71.7 158.4 38.0 26.8 -26.2 580 331 B A - 0 0 27 1,-0.1 -1,-0.1 2,-0.0 -2,-0.1 -0.700 30.1-119.4 -90.2 142.5 38.1 30.4 -25.0 581 332 B F > - 0 0 6 -2,-0.3 3,-0.9 1,-0.1 4,-0.2 -0.254 32.7 -98.9 -75.3 165.2 35.4 31.9 -22.8 582 333 B D G > S+ 0 0 10 1,-0.2 3,-0.9 2,-0.2 -1,-0.1 0.772 121.7 52.2 -56.4 -35.1 33.3 34.9 -23.9 583 334 B W G 3 S+ 0 0 65 1,-0.2 -1,-0.2 -189,-0.0 -3,-0.0 0.720 100.7 64.0 -74.0 -24.5 35.3 37.5 -21.9 584 335 B E G < S+ 0 0 60 -3,-0.9 2,-0.4 2,-0.1 -1,-0.2 0.401 90.6 85.7 -76.7 -4.1 38.6 36.2 -23.5 585 336 B K < 0 0 107 -3,-0.9 0, 0.0 -4,-0.2 0, 0.0 -0.903 360.0 360.0-109.2 132.8 37.3 37.3 -27.0 586 337 B A 0 0 155 -2,-0.4 -2,-0.1 0, 0.0 -1,-0.0 -0.253 360.0 360.0 -68.9 360.0 37.7 40.8 -28.5