==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE ACTIVATOR 31-OCT-05 2EVA . COMPND 2 MOLECULE: TAK1 KINASE - TAB1 CHIMERA FUSION PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.BROWN,S.C.VIAL,N.DEDI,J.M.LONG,N.J.DUNSTER,G.M.CHEETHAM . 294 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14630.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 179 60.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 12.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 10 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 83 28.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 0 1 0 0 1 2 1 0 0 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 . 1 2 0 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 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 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 27 A S 0 0 106 0, 0.0 2,-0.2 0, 0.0 52,-0.0 0.000 360.0 360.0 360.0 100.0 -3.0 68.8 24.7 2 28 A L - 0 0 164 1,-0.2 67,-0.1 0, 0.0 65,-0.0 -0.866 360.0 -2.6 169.9 157.9 0.5 70.2 25.4 3 29 A H - 0 0 73 -2,-0.2 66,-0.8 65,-0.1 2,-0.3 0.808 39.6-150.5 18.3 136.6 3.7 72.0 24.7 4 30 A M B -a 69 0A 139 64,-0.2 2,-0.3 66,-0.0 66,-0.2 -0.811 11.3-165.7-118.2 158.4 4.9 73.7 21.5 5 31 A I - 0 0 11 64,-1.8 2,-0.5 -2,-0.3 67,-0.3 -0.995 18.2-130.1-148.1 147.3 8.5 74.2 20.4 6 32 A D > - 0 0 58 -2,-0.3 3,-2.8 1,-0.1 4,-0.2 -0.892 19.4-134.7-102.8 125.1 10.4 76.3 17.8 7 33 A Y G > S+ 0 0 79 -2,-0.5 3,-2.5 1,-0.3 -1,-0.1 0.788 100.8 69.7 -43.8 -39.4 12.7 74.4 15.5 8 34 A K G 3 S+ 0 0 176 1,-0.3 -1,-0.3 3,-0.1 -3,-0.0 0.574 94.6 57.3 -60.7 -8.9 15.4 77.0 15.9 9 35 A E G < S+ 0 0 116 -3,-2.8 21,-0.5 20,-0.0 2,-0.5 0.326 93.5 84.0-102.5 5.3 15.8 75.8 19.5 10 36 A I E < -B 29 0B 18 -3,-2.5 2,-1.0 -4,-0.2 19,-0.2 -0.942 64.0-154.9-114.3 124.8 16.6 72.2 18.4 11 37 A E E -B 28 0B 110 17,-1.9 17,-0.7 -2,-0.5 -3,-0.1 -0.765 20.2-150.2-100.2 91.0 20.1 71.0 17.4 12 38 A V E +B 27 0B 49 -2,-1.0 15,-0.2 15,-0.2 2,-0.2 -0.216 22.0 172.7 -58.6 148.2 19.5 68.1 15.0 13 39 A E E - 0 0 49 13,-2.3 -1,-0.1 1,-0.3 3,-0.1 -0.411 40.5 -15.0-133.8-150.1 22.2 65.4 15.0 14 40 A E E S- 0 0 112 -2,-0.2 12,-3.0 11,-0.1 -1,-0.3 -0.225 70.0-104.8 -62.6 145.0 22.7 61.9 13.5 15 41 A V E -B 25 0B 83 10,-0.3 10,-0.3 1,-0.1 -1,-0.1 -0.472 30.2-172.8 -67.6 137.3 19.8 60.0 12.1 16 42 A V E - 0 0 80 8,-2.9 2,-0.2 1,-0.4 9,-0.2 0.355 56.6 -58.3-112.7 -0.1 18.8 57.2 14.4 17 43 A G E -B 24 0B 23 7,-1.2 7,-3.0 2,-0.0 -1,-0.4 -0.790 40.6-105.3 145.4 171.7 16.3 55.5 12.2 18 44 A R + 0 0 173 5,-0.2 5,-0.2 -2,-0.2 4,-0.1 -0.994 31.1 178.4-137.2 126.5 13.1 55.7 10.1 19 45 A G - 0 0 36 3,-0.4 116,-0.0 -2,-0.4 -2,-0.0 0.108 60.4 -35.5-102.5-142.9 9.7 54.1 11.1 20 46 A A S S- 0 0 75 129,-0.1 131,-0.0 -2,-0.0 3,-0.0 0.882 126.1 -21.3 -48.4 -48.8 6.3 54.0 9.4 21 47 A F S S+ 0 0 40 23,-0.1 17,-0.1 26,-0.0 23,-0.1 0.452 114.5 43.3-127.8 -90.2 6.7 57.6 8.1 22 48 A G S S- 0 0 1 22,-0.1 2,-0.4 1,-0.1 -3,-0.4 0.519 78.7 -97.7 -46.9-160.7 9.0 60.4 9.2 23 49 A V E - C 0 38B 12 15,-1.7 15,-1.5 -5,-0.2 2,-0.5 -0.995 25.4-142.4-131.9 129.1 12.7 60.2 10.2 24 50 A V E +BC 17 37B 20 -7,-3.0 -8,-2.9 -2,-0.4 -7,-1.2 -0.788 24.6 176.4 -95.0 130.7 14.0 59.9 13.7 25 51 A C E -BC 15 36B 6 11,-2.7 11,-2.2 -2,-0.5 -10,-0.3 -0.885 32.8-110.9-128.3 159.8 17.2 61.7 14.6 26 52 A K E + C 0 35B 29 -12,-3.0 -13,-2.3 -2,-0.3 2,-0.3 -0.542 52.1 152.8 -82.1 155.8 19.2 62.3 17.8 27 53 A A E -BC 12 34B 0 7,-1.9 7,-2.8 -15,-0.2 2,-0.3 -0.980 38.2-116.9-169.1 178.7 19.1 65.9 19.0 28 54 A K E +BC 11 33B 100 -17,-0.7 -17,-1.9 -2,-0.3 2,-0.3 -0.959 21.7 174.6-131.5 149.6 19.4 68.4 21.8 29 55 A W E > S-BC 10 32B 20 3,-2.0 3,-0.9 -2,-0.3 -19,-0.1 -0.794 75.9 -9.9-160.4 111.2 16.8 70.9 23.2 30 56 A R T 3 S- 0 0 160 -21,-0.5 3,-0.1 -2,-0.3 -20,-0.1 0.873 127.3 -59.3 64.7 37.6 17.3 73.1 26.2 31 57 A A T 3 S+ 0 0 97 1,-0.2 2,-0.4 0, 0.0 -1,-0.2 0.601 115.3 119.7 66.5 13.4 20.5 71.2 27.0 32 58 A K E < S-C 29 0B 129 -3,-0.9 -3,-2.0 0, 0.0 2,-0.3 -0.911 70.2-117.0-110.0 134.0 18.4 68.0 27.2 33 59 A D E +C 28 0B 82 -2,-0.4 47,-0.7 -5,-0.2 -5,-0.3 -0.538 45.5 171.8 -71.3 131.7 19.0 65.1 24.9 34 60 A V E -CD 27 79B 0 -7,-2.8 -7,-1.9 -2,-0.3 2,-0.4 -0.782 31.1-135.6-134.3 174.2 16.1 64.4 22.7 35 61 A A E -CD 26 78B 6 43,-1.9 43,-2.3 -2,-0.2 2,-0.4 -0.992 24.6-170.0-132.5 136.3 14.9 62.3 19.8 36 62 A I E -CD 25 77B 0 -11,-2.2 -11,-2.7 -2,-0.4 2,-0.5 -0.993 14.3-161.0-135.8 139.5 12.9 63.9 17.0 37 63 A K E +CD 24 76B 2 39,-1.4 39,-2.4 -2,-0.4 2,-0.2 -0.977 18.5 179.6-118.3 128.8 11.0 62.6 14.0 38 64 A Q E -CD 23 75B 28 -15,-1.5 -15,-1.7 -2,-0.5 37,-0.2 -0.738 30.4 -97.8-120.0 169.4 10.1 65.0 11.2 39 65 A I - 0 0 31 35,-1.2 2,-0.2 -2,-0.2 3,-0.1 -0.540 15.9-151.8 -88.6 158.9 8.4 64.6 7.9 40 66 A E S S- 0 0 109 1,-0.6 -1,-0.0 -2,-0.2 2,-0.0 -0.648 79.8 -19.2-127.4 68.1 10.1 64.1 4.6 41 67 A S S > S- 0 0 94 -2,-0.2 3,-1.0 2,-0.0 -1,-0.6 0.310 92.5 -78.5 99.7 132.6 7.6 65.6 2.2 42 68 A E T 3 S+ 0 0 118 1,-0.2 -2,-0.0 2,-0.2 0, 0.0 -0.082 103.6 76.6 -54.9 162.6 3.9 66.2 3.1 43 69 A S T 3> S+ 0 0 95 -4,-0.0 4,-0.8 0, 0.0 3,-0.3 -0.337 93.3 65.4 120.4 -36.1 1.5 63.3 2.9 44 70 A E H <> S+ 0 0 30 -3,-1.0 4,-3.0 1,-0.2 5,-0.2 0.494 83.7 82.6 -84.5 -7.6 3.1 62.3 6.2 45 71 A R H > S+ 0 0 62 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.931 89.7 45.5 -61.3 -49.4 1.4 65.6 7.2 46 72 A K H > S+ 0 0 173 -3,-0.3 4,-1.8 2,-0.2 3,-0.3 0.967 116.6 44.5 -58.9 -54.7 -1.9 63.8 7.7 47 73 A A H X S+ 0 0 34 -4,-0.8 4,-2.3 1,-0.2 -2,-0.2 0.898 110.3 54.7 -57.6 -45.3 -0.4 61.0 9.7 48 74 A F H X S+ 0 0 2 -4,-3.0 4,-1.7 1,-0.2 -1,-0.2 0.864 106.8 52.5 -57.9 -37.4 1.8 63.3 11.8 49 75 A I H X S+ 0 0 75 -4,-1.7 4,-2.2 -3,-0.3 -1,-0.2 0.899 107.5 50.2 -66.7 -41.9 -1.3 65.2 12.8 50 76 A V H X S+ 0 0 56 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.916 108.3 53.7 -62.5 -42.6 -3.1 62.1 14.0 51 77 A E H X S+ 0 0 9 -4,-2.3 4,-3.1 1,-0.2 5,-0.2 0.878 107.1 53.2 -58.5 -39.7 -0.0 61.1 16.0 52 78 A L H X S+ 0 0 52 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.977 109.3 45.8 -60.0 -57.0 -0.1 64.5 17.7 53 79 A R H X S+ 0 0 129 -4,-2.2 4,-0.6 2,-0.2 -2,-0.2 0.897 119.2 42.7 -54.7 -43.8 -3.7 64.2 18.8 54 80 A Q H >X S+ 0 0 14 -4,-2.5 3,-1.9 1,-0.2 4,-1.4 0.983 114.5 47.8 -66.1 -58.7 -3.2 60.7 20.0 55 81 A L H 3< S+ 0 0 14 -4,-3.1 11,-0.3 1,-0.3 -1,-0.2 0.691 105.4 61.5 -56.2 -22.0 0.1 61.3 21.7 56 82 A S H 3< S+ 0 0 49 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.741 105.1 47.8 -78.1 -22.2 -1.3 64.4 23.4 57 83 A R H << S+ 0 0 65 -3,-1.9 -2,-0.2 -4,-0.6 -1,-0.2 0.842 96.7 86.6 -83.6 -38.7 -3.9 62.2 25.2 58 84 A V < + 0 0 18 -4,-1.4 2,-0.2 63,-0.0 60,-0.0 -0.382 39.8 162.6 -73.8 140.8 -1.5 59.5 26.5 59 85 A N + 0 0 114 -2,-0.1 5,-0.1 6,-0.1 6,-0.1 -0.756 24.1 131.3-155.6 100.0 0.5 59.7 29.7 60 86 A H > - 0 0 40 3,-0.3 3,-1.2 -2,-0.2 54,-0.1 -0.989 60.7-118.3-154.3 149.5 1.8 56.4 31.0 61 87 A P T 3 S+ 0 0 92 0, 0.0 4,-0.1 0, 0.0 53,-0.1 0.753 111.9 49.8 -58.5 -29.5 5.2 55.0 32.2 62 88 A N T 3 S+ 0 0 10 84,-0.1 85,-1.9 2,-0.1 2,-0.4 -0.056 96.6 78.4-106.4 31.7 5.5 52.5 29.4 63 89 A I B < S-f 147 0C 5 -3,-1.2 -3,-0.3 83,-0.3 85,-0.2 -0.997 93.4 -96.6-137.6 132.9 4.8 54.8 26.5 64 90 A V - 0 0 9 83,-2.8 2,-0.3 -2,-0.4 -2,-0.1 -0.263 42.7-123.3 -52.5 127.7 7.4 57.2 25.0 65 91 A K - 0 0 103 -4,-0.1 14,-2.1 -6,-0.1 2,-0.4 -0.562 17.4-144.8 -78.0 133.7 7.0 60.6 26.5 66 92 A L E -E 78 0B 41 -2,-0.3 12,-0.3 -11,-0.3 3,-0.1 -0.805 10.7-169.0 -96.6 138.0 6.4 63.5 24.0 67 93 A Y E - 0 0 81 10,-3.9 2,-0.3 1,-0.4 11,-0.2 0.754 58.4 -64.3 -96.7 -30.5 7.9 66.8 25.0 68 94 A G E -E 77 0B 3 9,-1.0 9,-2.6 2,-0.0 -1,-0.4 -0.965 45.9-132.8 167.7-172.1 6.3 69.0 22.4 69 95 A A B -a 4 0A 8 -66,-0.8 -64,-1.8 -2,-0.3 2,-0.2 -0.681 8.8-153.2-147.5-159.6 6.0 69.5 18.6 70 96 A C > - 0 0 6 5,-0.4 5,-1.6 -2,-0.2 4,-0.3 -0.783 20.6-150.0 175.2 140.0 6.1 72.3 16.0 71 97 A L T 5S+ 0 0 99 3,-0.2 -65,-0.1 -2,-0.2 -1,-0.0 0.226 76.0 101.8-104.0 13.6 4.8 73.0 12.5 72 98 A N T 5S- 0 0 91 -67,-0.3 -1,-0.1 1,-0.1 -66,-0.1 0.998 125.6 -18.4 -55.3 -63.5 7.8 75.3 11.7 73 99 A P T 5S- 0 0 47 0, 0.0 -34,-0.2 0, 0.0 -2,-0.2 0.625 110.6-111.7-109.7 -24.8 9.1 72.3 9.7 74 100 A V T 5 + 0 0 5 -4,-0.3 -35,-1.2 1,-0.1 2,-0.3 0.743 55.9 146.4 90.3 105.6 6.7 69.9 11.6 75 101 A C E < -D 38 0B 1 -5,-1.6 2,-0.4 -37,-0.2 -5,-0.4 -0.989 44.0-116.0-163.3 155.0 8.2 67.4 14.0 76 102 A L E -D 37 0B 2 -39,-2.4 -39,-1.4 -2,-0.3 2,-0.8 -0.813 18.0-154.5 -97.7 132.4 7.8 65.4 17.3 77 103 A V E +DE 36 68B 0 -9,-2.6 -10,-3.9 -2,-0.4 -9,-1.0 -0.861 29.6 166.4-108.1 95.5 10.2 66.1 20.2 78 104 A M E -DE 35 66B 18 -43,-2.3 -43,-1.9 -2,-0.8 -12,-0.2 -0.479 42.8 -81.7-103.4 176.1 10.1 62.9 22.3 79 105 A E E -D 34 0B 26 -14,-2.1 2,-0.6 -45,-0.2 -45,-0.2 -0.456 49.0-111.4 -75.4 150.7 12.4 61.5 25.0 80 106 A Y - 0 0 67 -47,-0.7 2,-1.3 -2,-0.1 3,-0.1 -0.768 19.6-141.5 -89.8 117.9 15.6 59.8 23.8 81 107 A A > - 0 0 11 -2,-0.6 3,-1.6 1,-0.2 57,-0.2 -0.644 16.6-172.8 -79.9 96.5 15.6 56.1 24.4 82 108 A E T 3 S+ 0 0 115 -2,-1.3 -1,-0.2 1,-0.3 57,-0.2 0.883 81.3 59.1 -56.3 -41.4 19.2 55.6 25.5 83 109 A G T 3 S- 0 0 28 55,-1.2 -1,-0.3 1,-0.2 56,-0.2 0.563 99.9-144.8 -67.7 -10.1 18.7 51.8 25.4 84 110 A G < - 0 0 25 -3,-1.6 54,-2.7 54,-0.4 -1,-0.2 -0.315 40.4 -27.1 78.7-162.4 17.7 51.7 21.8 85 111 A S B > -G 137 0C 24 52,-0.2 4,-1.4 1,-0.1 52,-0.2 -0.462 47.3-126.6 -88.7 159.7 15.1 49.4 20.3 86 112 A L H > S+ 0 0 1 50,-2.6 4,-2.3 47,-1.2 5,-0.2 0.779 112.7 60.6 -72.7 -26.5 14.2 45.9 21.5 87 113 A Y H > S+ 0 0 83 46,-0.9 4,-3.9 49,-0.4 5,-0.5 0.945 105.5 45.8 -62.5 -50.0 14.9 44.7 18.0 88 114 A N H > S+ 0 0 89 3,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.821 111.7 51.8 -63.7 -34.8 18.5 45.9 18.3 89 115 A V H < S+ 0 0 9 -4,-1.4 -1,-0.2 2,-0.2 -2,-0.2 0.923 120.7 34.8 -67.8 -42.4 18.9 44.3 21.7 90 116 A L H < S+ 0 0 1 -4,-2.3 -2,-0.2 1,-0.1 -3,-0.2 0.958 142.2 6.9 -76.8 -53.8 17.6 41.0 20.4 91 117 A H H < S+ 0 0 34 -4,-3.9 -3,-0.2 -5,-0.2 -2,-0.2 0.260 98.8 122.3-117.8 13.0 18.9 40.9 16.8 92 118 A G < - 0 0 20 -4,-1.2 2,-0.2 -5,-0.5 4,-0.1 0.392 65.5 -41.6 -61.0-161.2 21.3 43.9 16.7 93 119 A A S S- 0 0 65 2,-0.1 -1,-0.2 1,-0.0 -2,-0.0 -0.428 76.0 -73.2 -77.8 143.4 25.0 44.2 15.9 94 120 A E S S+ 0 0 170 -2,-0.2 2,-2.3 1,-0.1 171,-0.1 0.328 118.3 62.2 7.8 -86.8 27.8 41.9 17.1 95 121 A P S S+ 0 0 108 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.335 76.8 177.8 -62.9 87.8 28.2 42.8 20.8 96 122 A L E -I 265 0D 25 -2,-2.3 169,-3.1 169,-0.7 2,-0.1 -0.662 28.5-112.6 -86.9 145.3 24.7 41.7 21.6 97 123 A P E -I 264 0D 29 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.470 20.4-120.6 -82.2 154.2 23.7 41.9 25.3 98 124 A Y + 0 0 111 165,-2.8 165,-0.4 -2,-0.1 2,-0.3 -0.679 36.6 179.7 -86.2 141.2 23.0 38.8 27.5 99 125 A Y - 0 0 2 -2,-0.3 2,-0.1 162,-0.1 162,-0.0 -0.980 14.8-136.1-142.9 155.5 19.5 38.9 29.0 100 126 A T > - 0 0 37 -2,-0.3 4,-2.2 156,-0.1 3,-0.1 -0.452 32.8 -98.6-106.4 178.3 17.6 36.5 31.3 101 127 A A H > S+ 0 0 9 181,-0.3 4,-2.6 1,-0.2 5,-0.2 0.842 123.7 58.0 -64.1 -32.4 14.2 34.9 31.6 102 128 A A H > S+ 0 0 5 2,-0.2 4,-2.1 153,-0.2 -1,-0.2 0.870 106.7 47.4 -64.6 -38.8 13.3 37.7 34.1 103 129 A H H > S+ 0 0 9 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.948 111.9 49.6 -65.8 -51.7 14.2 40.4 31.5 104 130 A A H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.925 115.1 42.8 -54.7 -49.6 12.1 38.7 28.8 105 131 A M H X S+ 0 0 1 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.899 114.3 52.2 -65.5 -39.1 9.1 38.3 31.1 106 132 A S H X S+ 0 0 14 -4,-2.1 4,-2.5 -5,-0.2 -2,-0.2 0.909 107.7 50.5 -63.9 -44.3 9.6 41.8 32.4 107 133 A W H X S+ 0 0 2 -4,-3.0 4,-1.7 1,-0.2 -1,-0.2 0.912 113.1 47.1 -60.2 -42.0 9.7 43.4 29.0 108 134 A C H X S+ 0 0 1 -4,-1.8 4,-2.3 -5,-0.2 -2,-0.2 0.868 110.7 51.0 -68.5 -38.7 6.5 41.6 28.0 109 135 A L H X S+ 0 0 17 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.933 111.9 47.4 -64.4 -45.1 4.7 42.6 31.2 110 136 A Q H X S+ 0 0 20 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.825 110.2 53.5 -65.8 -31.6 5.6 46.2 30.6 111 137 A C H X S+ 0 0 0 -4,-1.7 4,-2.3 -5,-0.2 -1,-0.2 0.947 109.3 47.3 -67.5 -47.0 4.5 46.0 27.0 112 138 A S H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.829 109.0 55.8 -63.5 -33.0 1.1 44.7 28.0 113 139 A Q H X S+ 0 0 59 -4,-1.9 4,-1.3 2,-0.2 -1,-0.2 0.913 109.8 44.9 -65.0 -44.0 0.8 47.4 30.7 114 140 A G H X S+ 0 0 0 -4,-1.8 4,-1.2 1,-0.2 -2,-0.2 0.891 116.9 45.3 -67.9 -39.4 1.3 50.2 28.1 115 141 A V H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.859 107.7 56.6 -73.9 -33.8 -1.0 48.5 25.7 116 142 A A H X S+ 0 0 4 -4,-2.7 4,-0.9 1,-0.2 -1,-0.2 0.832 105.5 54.0 -65.2 -29.4 -3.7 47.9 28.3 117 143 A Y H < S+ 0 0 63 -4,-1.3 -1,-0.2 2,-0.2 -2,-0.2 0.866 108.9 47.3 -70.8 -37.0 -3.6 51.6 29.0 118 144 A L H >< S+ 0 0 0 -4,-1.2 8,-2.3 1,-0.2 3,-1.7 0.923 110.2 52.4 -67.8 -46.2 -4.3 52.4 25.4 119 145 A H H 3< S+ 0 0 33 -4,-2.5 -1,-0.2 1,-0.3 6,-0.2 0.709 108.4 52.4 -62.6 -21.9 -7.1 49.8 25.2 120 146 A S T 3< S+ 0 0 57 -4,-0.9 -1,-0.3 -5,-0.2 -2,-0.2 0.319 81.6 131.4 -99.0 8.0 -8.7 51.5 28.2 121 147 A M < - 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0 0 38 -5,-0.6 -1,-0.3 -6,-0.2 -2,-0.2 -0.924 68.5-110.6-126.7 151.3 14.7 34.2 17.0 190 227 A K > - 0 0 75 -2,-0.3 3,-1.3 -3,-0.1 4,-0.2 -0.719 42.8-110.5 -83.7 128.5 13.0 36.3 14.4 191 228 A P T 3 S- 0 0 8 0, 0.0 -34,-0.1 0, 0.0 -1,-0.1 -0.372 93.6 -2.8 -63.4 136.3 9.4 34.9 13.7 192 229 A F T >> S+ 0 0 23 1,-0.1 4,-1.2 2,-0.1 3,-1.1 0.798 82.3 142.5 51.4 36.7 8.9 33.2 10.3 193 230 A D T <4 + 0 0 120 -3,-1.3 -1,-0.1 1,-0.3 -36,-0.0 0.751 66.4 64.6 -73.1 -22.9 12.5 34.1 9.3 194 231 A E T 34 S+ 0 0 132 -4,-0.2 -1,-0.3 1,-0.1 -2,-0.1 0.172 100.8 50.3 -85.5 14.8 12.5 30.7 7.6 195 232 A I T <4 S+ 0 0 42 -3,-1.1 -2,-0.2 2,-0.1 -1,-0.1 0.690 76.5 147.3-114.1 -58.0 9.8 31.8 5.2 196 233 A G < + 0 0 31 -4,-1.2 5,-0.1 1,-0.1 -2,-0.1 0.081 20.0 99.2 49.9-163.2 11.1 35.0 3.8 197 234 A G S S- 0 0 67 4,-0.1 -1,-0.1 3,-0.1 -2,-0.1 -0.489 90.9 -9.2 80.7-159.5 10.4 36.1 0.2 198 235 A P S >> S- 0 0 67 0, 0.0 3,-2.1 0, 0.0 4,-0.5 -0.347 75.2-109.5 -69.8 155.2 7.6 38.7 -0.3 199 236 A A H >> S+ 0 0 53 1,-0.3 4,-2.0 2,-0.2 3,-1.4 0.807 112.5 71.4 -52.4 -34.8 5.3 39.5 2.7 200 237 A F H 3> S+ 0 0 137 1,-0.3 4,-1.5 2,-0.2 -1,-0.3 0.688 89.0 61.6 -59.3 -19.1 2.4 37.7 1.1 201 238 A R H <> S+ 0 0 119 -3,-2.1 4,-1.5 2,-0.2 -1,-0.3 0.806 107.0 44.4 -77.6 -28.3 4.1 34.3 1.7 202 239 A I H <>S+ 0 0 14 -4,-1.5 5,-2.3 1,-0.2 3,-0.6 0.955 116.5 42.9 -59.1 -53.1 1.1 30.8 6.1 206 243 A V H ><5S+ 0 0 3 -4,-2.9 3,-1.5 1,-0.2 -1,-0.2 0.847 110.2 57.8 -61.5 -37.5 -0.3 32.6 9.1 207 244 A H H 3<5S+ 0 0 76 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.777 104.7 51.5 -65.2 -28.6 -3.8 32.8 7.5 208 245 A N T <<5S- 0 0 90 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.220 133.1 -87.8 -93.3 13.5 -3.8 29.0 7.1 209 246 A G T < 5S+ 0 0 53 -3,-1.5 2,-0.3 1,-0.3 -3,-0.2 0.549 74.6 151.0 97.2 7.6 -3.0 28.5 10.8 210 247 A T < + 0 0 63 -5,-2.3 -1,-0.3 -6,-0.2 -2,-0.0 -0.591 16.2 172.6 -78.2 133.0 0.8 28.5 10.9 211 248 A R - 0 0 48 -2,-0.3 3,-0.1 1,-0.1 16,-0.0 -0.850 43.0 -72.6-132.2 165.4 2.4 29.8 14.1 212 249 A P - 0 0 7 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.288 67.4 -87.6 -58.9 145.1 6.0 30.0 15.4 213 250 A P - 0 0 60 0, 0.0 63,-0.1 0, 0.0 64,-0.1 -0.112 49.6 -93.8 -55.1 149.2 7.4 26.5 16.5 214 251 A L - 0 0 75 -3,-0.1 63,-1.9 1,-0.1 2,-0.4 -0.234 39.9-118.8 -61.3 154.1 6.7 25.2 20.0 215 252 A I B > -j 277 0E 0 61,-0.2 3,-1.2 -3,-0.1 2,-0.3 -0.826 24.8-115.1-100.8 133.1 9.5 25.9 22.5 216 253 A K T 3 S- 0 0 94 61,-3.4 60,-0.1 -2,-0.4 -1,-0.0 -0.508 93.3 -4.5 -70.2 124.8 11.2 23.0 24.2 217 254 A N T 3 S+ 0 0 107 -2,-0.3 -1,-0.2 1,-0.2 66,-0.1 0.686 85.6 162.1 68.8 21.6 10.6 22.8 28.0 218 255 A L < - 0 0 6 -3,-1.2 -1,-0.2 1,-0.1 2,-0.1 -0.493 50.7 -95.8 -72.0 141.2 8.5 26.1 28.2 219 256 A P >> - 0 0 0 0, 0.0 4,-2.6 0, 0.0 3,-1.3 -0.378 28.8-128.0 -60.1 130.6 6.4 26.3 31.4 220 257 A K H 3> S+ 0 0 137 1,-0.3 4,-2.6 2,-0.2 5,-0.3 0.863 107.8 55.0 -46.4 -47.2 2.8 25.1 30.8 221 258 A P H 3> S+ 0 0 46 0, 0.0 4,-0.9 0, 0.0 -1,-0.3 0.817 113.3 42.1 -61.1 -27.9 1.3 28.3 32.2 222 259 A I H <> S+ 0 0 1 -3,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.846 112.6 53.0 -85.0 -37.1 3.3 30.5 29.8 223 260 A E H X S+ 0 0 28 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.940 109.1 48.9 -63.2 -46.0 2.8 28.2 26.8 224 261 A S H X S+ 0 0 60 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.858 111.8 49.1 -62.9 -36.0 -1.0 28.3 27.3 225 262 A L H X S+ 0 0 3 -4,-0.9 4,-1.4 -5,-0.3 -1,-0.2 0.889 112.2 49.4 -69.2 -39.1 -1.0 32.1 27.6 226 263 A M H X S+ 0 0 0 -4,-2.2 4,-0.7 1,-0.2 -2,-0.2 0.919 112.7 44.7 -66.0 -46.3 1.1 32.4 24.4 227 264 A T H < S+ 0 0 57 -4,-2.5 4,-0.2 1,-0.2 -1,-0.2 0.756 107.4 58.8 -72.9 -25.3 -1.0 30.1 22.3 228 265 A R H >< S+ 0 0 87 -4,-1.4 3,-1.3 -5,-0.2 -1,-0.2 0.885 103.0 53.6 -69.4 -37.7 -4.3 31.7 23.4 229 266 A C H 3< S+ 0 0 0 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.770 105.3 55.8 -65.2 -25.9 -3.1 35.0 22.1 230 267 A W T 3< S+ 0 0 15 -4,-0.7 -1,-0.2 -51,-0.1 -2,-0.2 0.431 77.6 137.4 -85.8 -3.3 -2.4 33.3 18.7 231 268 A S < - 0 0 23 -3,-1.3 6,-0.1 -4,-0.2 -3,-0.1 -0.133 56.3-139.4 -46.2 134.4 -6.0 32.1 18.4 232 269 A K S S+ 0 0 136 1,-0.1 -70,-0.2 -71,-0.1 -1,-0.1 0.953 93.1 72.1 -60.1 -46.5 -7.5 32.5 14.9 233 270 A D S > S- 0 0 67 1,-0.2 3,-1.5 2,-0.1 4,-0.4 -0.596 76.2-153.6 -75.6 110.8 -10.7 33.6 16.6 234 271 A P G > S+ 0 0 34 0, 0.0 3,-1.4 0, 0.0 -1,-0.2 0.833 92.2 60.0 -51.6 -40.5 -10.2 37.1 18.1 235 272 A S G 3 S+ 0 0 87 1,-0.3 -2,-0.1 -3,-0.0 -3,-0.0 0.769 99.1 58.7 -63.4 -24.7 -12.8 36.6 20.8 236 273 A Q G < S+ 0 0 125 -3,-1.5 -1,-0.3 2,-0.1 -5,-0.1 0.580 85.9 95.1 -82.0 -9.8 -10.9 33.6 22.2 237 274 A R S < S- 0 0 5 -3,-1.4 -8,-0.2 -4,-0.4 -61,-0.1 -0.557 84.1-109.4 -79.6 145.8 -7.8 35.7 22.8 238 275 A P - 0 0 3 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.286 36.1-102.8 -70.2 162.0 -7.4 37.1 26.4 239 276 A S > - 0 0 54 1,-0.1 4,-2.0 -64,-0.0 3,-0.4 -0.504 28.0-113.9 -81.0 156.3 -7.8 40.9 27.0 240 277 A M H > S+ 0 0 3 1,-0.2 4,-2.2 2,-0.2 -124,-0.2 0.866 118.4 58.0 -59.6 -31.7 -4.7 42.9 27.4 241 278 A E H > S+ 0 0 87 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.890 105.5 48.0 -63.8 -40.5 -5.9 43.6 31.0 242 279 A E H > S+ 0 0 69 -3,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.889 108.6 54.5 -68.3 -37.3 -6.0 39.8 31.8 243 280 A I H X S+ 0 0 0 -4,-2.0 4,-3.3 2,-0.2 5,-0.3 0.928 106.5 52.1 -60.8 -43.8 -2.5 39.5 30.3 244 281 A V H X S+ 0 0 21 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.940 111.4 46.6 -57.1 -48.8 -1.2 42.2 32.7 245 282 A K H X S+ 0 0 125 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.913 115.7 45.3 -60.9 -44.3 -2.7 40.3 35.7 246 283 A I H X S+ 0 0 46 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.950 114.8 45.9 -65.8 -48.8 -1.3 37.0 34.6 247 284 A M H X S+ 0 0 0 -4,-3.3 4,-1.7 1,-0.2 -2,-0.2 0.873 109.6 56.2 -62.0 -37.7 2.1 38.3 33.8 248 285 A T H < S+ 0 0 68 -4,-2.5 4,-0.3 -5,-0.3 -1,-0.2 0.915 109.0 46.6 -61.3 -41.3 2.2 40.2 37.0 249 286 A H H >< S+ 0 0 136 -4,-1.8 3,-0.8 1,-0.2 -1,-0.2 0.824 111.0 51.6 -69.6 -33.2 1.6 37.0 39.0 250 287 A L H >< S+ 0 0 11 -4,-1.8 3,-2.3 1,-0.2 -1,-0.2 0.782 92.7 74.1 -74.0 -27.3 4.2 35.0 37.1 251 288 A M G >< S+ 0 0 35 -4,-1.7 3,-1.7 1,-0.3 -1,-0.2 0.702 79.5 75.6 -58.9 -17.3 6.8 37.7 37.7 252 289 A R G < S+ 0 0 162 -3,-0.8 -1,-0.3 -4,-0.3 -2,-0.2 0.754 98.3 44.9 -65.5 -22.9 6.9 36.4 41.3 253 290 A Y G < S+ 0 0 21 -3,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.138 105.5 67.0-105.5 15.8 8.9 33.5 39.9 254 291 A F < + 0 0 10 -3,-1.7 3,-0.4 -152,-0.1 -1,-0.2 -0.524 66.5 172.5-135.9 66.5 11.1 35.7 37.8 255 292 A P + 0 0 89 0, 0.0 -153,-0.2 0, 0.0 -3,-0.1 -0.469 53.6 54.1 -77.0 147.8 13.3 37.8 40.2 256 293 A G > + 0 0 26 -2,-0.1 3,-1.0 -154,-0.1 -156,-0.1 0.625 54.5 130.6 106.1 17.0 16.1 40.0 38.8 257 294 A A T 3 + 0 0 18 -3,-0.4 -157,-0.0 1,-0.2 -6,-0.0 0.665 68.8 66.2 -73.9 -15.8 14.3 42.1 36.2 258 295 A D T 3 S+ 0 0 113 2,-0.1 -1,-0.2 -114,-0.0 -115,-0.1 0.572 74.9 106.5 -81.3 -12.5 15.9 45.2 37.7 259 296 A E S < S- 0 0 100 -3,-1.0 2,-0.0 1,-0.1 3,-0.0 -0.523 72.7-122.2 -71.7 130.6 19.5 44.2 36.7 260 297 A P - 0 0 54 0, 0.0 2,-0.6 0, 0.0 -118,-0.2 -0.342 25.7-102.8 -72.9 154.3 20.9 46.2 33.8 261 298 A L + 0 0 35 -120,-2.6 -162,-0.1 1,-0.2 -118,-0.1 -0.682 65.2 138.2 -75.9 116.5 22.0 44.6 30.6 262 299 A Q + 0 0 119 -2,-0.6 -1,-0.2 -164,-0.2 -163,-0.1 0.413 38.2 85.1-142.5 -3.0 25.8 44.7 31.0 263 300 A Y - 0 0 137 -165,-0.4 -165,-2.8 0, 0.0 2,-0.4 -0.887 66.2-137.8-108.0 137.5 27.3 41.4 29.7 264 301 A P E -I 97 0D 84 0, 0.0 2,-0.3 0, 0.0 -170,-0.0 -0.774 22.6-157.9 -90.9 134.0 28.1 40.8 26.0 265 302 A C E -I 96 0D 23 -169,-3.1 2,-0.9 -2,-0.4 -169,-0.7 -0.853 21.1-137.7-116.9 153.7 27.1 37.4 24.8 266 303 A Q - 0 0 178 -2,-0.3 2,-0.2 -171,-0.1 -172,-0.0 -0.641 32.9-160.2-103.7 70.6 28.3 35.4 21.9 267 468 A H - 0 0 53 -2,-0.9 -2,-0.0 1,-0.1 13,-0.0 -0.349 11.1-173.1 -61.0 120.4 24.8 34.2 20.7 268 469 A S - 0 0 102 -2,-0.2 -1,-0.1 2,-0.0 0, 0.0 0.894 5.0-164.2 -74.4-101.1 24.9 31.1 18.5 269 470 A L - 0 0 57 1,-0.1 -81,-0.0 2,-0.0 11,-0.0 0.769 5.1-165.4 105.2 84.7 21.5 30.0 17.0 270 471 A P + 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.795 10.6 179.1 -98.3 93.1 21.2 26.5 15.5 271 472 A P > + 0 0 69 0, 0.0 3,-0.6 0, 0.0 -2,-0.0 0.983 18.4 151.5 -55.5 -82.4 17.9 26.4 13.4 272 473 A G T 3 - 0 0 58 1,-0.2 2,-0.2 5,-0.0 0, 0.0 0.881 60.0-115.9 43.1 60.0 17.5 23.0 11.8 273 474 A E T 3 + 0 0 149 2,-0.1 -1,-0.2 1,-0.1 4,-0.1 0.174 55.7 160.5 -23.6 73.2 13.7 23.0 11.7 274 475 A D < - 0 0 115 -3,-0.6 3,-0.1 2,-0.5 -1,-0.1 0.369 63.3 -77.7 -76.5-141.7 13.1 20.1 14.1 275 476 A G S S+ 0 0 66 -62,-0.1 2,-0.3 1,-0.0 -61,-0.1 -0.241 111.0 5.6-116.9 42.0 9.7 19.7 15.7 276 477 A R S S- 0 0 97 -63,-0.1 -2,-0.5 -60,-0.1 2,-0.3 -0.890 72.0-118.3 162.4 172.3 10.4 22.5 18.2 277 478 A V B -j 215 0E 15 -63,-1.9 -61,-3.4 -2,-0.3 -5,-0.0 -0.964 25.4-115.3-136.4 152.4 13.0 25.2 19.2 278 479 A E - 0 0 117 -2,-0.3 2,-0.1 -63,-0.2 -61,-0.1 -0.609 33.4-113.2 -87.4 146.5 15.1 25.7 22.3 279 480 A P - 0 0 29 0, 0.0 -92,-0.3 0, 0.0 -93,-0.1 -0.476 8.9-145.4 -77.2 153.8 14.6 28.8 24.4 280 481 A Y S S+ 0 0 50 -94,-2.9 -93,-0.2 -2,-0.1 -94,-0.1 0.877 86.1 63.2 -78.9 -42.7 17.3 31.3 24.6 281 482 A V S S- 0 0 7 -95,-1.6 2,-0.5 -181,-0.1 -181,-0.1 -0.362 89.1-117.6 -80.4 161.8 16.4 32.1 28.2 282 483 A D - 0 0 118 1,-0.1 -181,-0.3 -2,-0.1 3,-0.2 -0.878 21.4-174.9-105.6 130.2 16.7 29.5 31.0 283 484 A F > + 0 0 10 -2,-0.5 4,-1.9 1,-0.2 5,-0.2 0.252 58.7 102.4-104.8 11.4 13.6 28.4 33.0 284 485 A A H > S+ 0 0 52 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.837 83.4 48.0 -64.1 -33.9 15.4 26.2 35.5 285 486 A E H > S+ 0 0 94 -3,-0.2 4,-2.5 2,-0.2 5,-0.2 0.854 108.2 56.3 -74.8 -34.0 15.1 28.8 38.3 286 487 A F H > S+ 0 0 6 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.951 108.1 46.6 -58.9 -53.2 11.4 29.3 37.5 287 488 A Y H X S+ 0 0 93 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.828 112.8 50.4 -58.7 -37.4 10.6 25.7 38.0 288 489 A R H X S+ 0 0 146 -4,-1.3 4,-1.4 2,-0.2 -1,-0.2 0.906 115.3 41.2 -69.6 -43.5 12.6 25.6 41.3 289 490 A L H X S+ 0 0 49 -4,-2.5 4,-1.2 2,-0.2 -2,-0.2 0.812 116.7 50.0 -72.6 -32.9 10.8 28.7 42.7 290 491 A W H >X S+ 0 0 81 -4,-2.7 4,-1.7 -5,-0.2 3,-0.7 0.961 108.9 51.8 -67.6 -52.4 7.5 27.5 41.4 291 492 A S H 3< S+ 0 0 60 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.819 105.3 56.8 -51.7 -38.1 8.1 24.0 43.0 292 493 A V H 3< S+ 0 0 108 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.885 110.9 42.7 -64.7 -38.9 8.9 25.7 46.3 293 494 A D H << S+ 0 0 72 -4,-1.2 -2,-0.2 -3,-0.7 -1,-0.2 0.726 131.7 15.0 -80.0 -23.9 5.4 27.5 46.3 294 495 A H < 0 0 108 -4,-1.7 -3,-0.1 -5,-0.1 -4,-0.0 0.291 360.0 360.0-114.9-117.8 3.5 24.5 45.2 295 496 A G 0 0 99 -2,-0.0 -4,-0.1 0, 0.0 -3,-0.0 0.545 360.0 360.0-126.0 360.0 4.6 20.8 45.1