==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 28-MAR-09 3GU4 . COMPND 2 MOLECULE: DEATH-ASSOCIATED PROTEIN KINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.K.MCNAMARA,J.S.SCHAVOCKY,D.M.WATTERSON,J.S.BRUNZELLE . 280 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14203.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 178 63.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 15.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 2 0.7 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 . 17 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 27.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.1 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 1 0 2 1 0 0 0 1 0 0 1 0 0 0 1 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 . 2 1 1 0 1 0 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 . 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 A T 0 0 96 0, 0.0 2,-0.2 0, 0.0 60,-0.0 0.000 360.0 360.0 360.0 134.8 15.4 -2.0 -9.7 2 3 A V - 0 0 113 81,-0.0 2,-0.2 1,-0.0 3,-0.0 -0.607 360.0-151.3 -94.9 160.4 18.7 -3.8 -9.9 3 4 A F - 0 0 17 -2,-0.2 79,-0.2 1,-0.1 2,-0.2 -0.695 38.1 -61.5-122.5 175.9 21.9 -2.7 -8.2 4 5 A R B -a 82 0A 85 77,-1.7 79,-2.7 -2,-0.2 4,-0.1 -0.395 42.7-169.5 -64.0 125.6 25.6 -3.0 -8.8 5 6 A Q + 0 0 131 77,-0.2 -1,-0.1 -2,-0.2 77,-0.1 0.402 47.2 111.5-107.9 6.5 26.6 -6.7 -8.7 6 7 A E S S- 0 0 95 1,-0.1 2,-0.3 2,-0.1 77,-0.2 -0.369 87.7 -84.6 -64.7 155.0 30.4 -6.4 -8.6 7 8 A N > - 0 0 86 1,-0.2 3,-1.7 75,-0.1 4,-0.4 -0.506 31.5-143.5 -65.7 125.7 31.9 -7.6 -5.4 8 9 A V G >> S+ 0 0 11 -2,-0.3 4,-2.1 1,-0.3 3,-1.4 0.803 98.5 66.9 -63.4 -24.8 31.8 -4.7 -2.9 9 10 A D G 34 S+ 0 0 84 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.681 90.5 63.4 -70.1 -16.3 35.1 -5.9 -1.5 10 11 A D G <4 S+ 0 0 103 -3,-1.7 -1,-0.3 1,-0.1 -2,-0.2 0.727 117.7 26.7 -74.2 -19.3 36.7 -5.0 -4.8 11 12 A Y T <4 S+ 0 0 74 -3,-1.4 21,-2.7 -4,-0.4 22,-0.5 0.608 123.9 38.2-118.4 -20.4 35.8 -1.3 -4.2 12 13 A Y E < -B 31 0A 2 -4,-2.1 2,-0.4 19,-0.3 19,-0.2 -0.959 57.1-147.4-135.8 150.1 35.7 -1.0 -0.4 13 14 A D E -B 30 0A 84 17,-2.3 17,-2.2 -2,-0.3 2,-0.2 -0.975 24.7-143.8-111.6 135.8 37.5 -2.2 2.7 14 15 A T E +B 29 0A 68 -2,-0.4 15,-0.3 15,-0.2 2,-0.1 -0.641 25.4 160.4-100.2 157.6 35.4 -2.8 5.9 15 16 A G E + 0 0 49 13,-3.2 -1,-0.1 1,-0.4 14,-0.1 -0.120 46.8 19.2-135.9-126.9 36.3 -2.1 9.5 16 17 A E E S- 0 0 129 11,-0.1 12,-3.4 1,-0.1 -1,-0.4 -0.182 72.1-115.3 -57.0 140.6 34.5 -1.6 12.8 17 18 A E E -B 27 0A 101 10,-0.2 10,-0.3 1,-0.1 -1,-0.1 -0.668 26.9-170.8 -78.2 132.7 30.9 -2.7 13.1 18 19 A L E - 0 0 51 8,-3.0 2,-0.3 -2,-0.4 9,-0.2 0.669 55.0 -50.7 -99.4 -23.9 28.7 0.3 13.7 19 20 A G E -B 26 0A 26 7,-1.4 7,-3.1 2,-0.0 -1,-0.4 -0.949 47.1-131.1 166.2 176.6 25.4 -1.3 14.5 20 21 A S E +B 25 0A 84 -2,-0.3 5,-0.3 5,-0.3 2,-0.2 -0.970 21.9 163.2-152.9 163.3 22.8 -3.9 13.5 21 22 A G E > -B 24 0A 51 3,-2.8 2,-1.1 -2,-0.3 3,-1.1 -0.680 53.6 -11.4-155.2-155.0 19.1 -4.3 13.0 22 23 A V T 3 S- 0 0 120 1,-0.3 22,-0.1 -2,-0.2 3,-0.1 -0.493 131.5 -29.6 -62.9 97.5 16.2 -6.2 11.5 23 24 A F T 3 S+ 0 0 88 -2,-1.1 21,-3.1 1,-0.2 2,-0.3 0.806 123.0 103.5 62.3 31.5 18.2 -8.6 9.3 24 25 A A E < -BC 21 43A 17 -3,-1.1 -3,-2.8 19,-0.2 2,-0.4 -0.989 49.0-165.4-144.3 152.1 21.0 -6.0 8.8 25 26 A V E -BC 20 42A 38 17,-1.6 17,-3.3 -2,-0.3 2,-0.5 -0.994 12.9-151.1-135.2 139.9 24.5 -5.2 9.9 26 27 A V E -BC 19 41A 29 -7,-3.1 -8,-3.0 -2,-0.4 -7,-1.4 -0.963 15.7-177.6-117.5 125.7 26.3 -1.9 9.4 27 28 A K E -BC 17 40A 56 13,-2.6 13,-3.3 -2,-0.5 -10,-0.2 -0.960 30.8-114.5-124.8 137.9 30.1 -1.7 9.1 28 29 A K E - C 0 39A 63 -12,-3.4 -13,-3.2 -2,-0.4 2,-0.3 -0.478 45.5-179.5 -62.7 138.8 32.4 1.2 8.7 29 30 A C E -BC 14 38A 4 9,-2.6 9,-2.2 -15,-0.3 2,-0.4 -0.925 24.8-143.3-142.5 165.7 34.1 1.1 5.3 30 31 A R E -BC 13 37A 116 -17,-2.2 -17,-2.3 -2,-0.3 2,-0.4 -0.999 21.0-128.8-133.8 128.5 36.5 3.0 3.1 31 32 A E E >> -B 12 0A 22 5,-2.9 4,-2.5 -2,-0.4 3,-0.7 -0.650 14.3-145.9 -79.1 128.2 36.3 3.4 -0.6 32 33 A K T 34 S+ 0 0 96 -21,-2.7 -1,-0.1 -2,-0.4 -20,-0.1 0.839 93.2 53.3 -63.3 -36.5 39.5 2.4 -2.3 33 34 A S T 34 S+ 0 0 95 -22,-0.5 -1,-0.2 1,-0.2 -21,-0.1 0.699 126.9 16.8 -76.6 -20.4 39.4 4.9 -5.1 34 35 A T T <4 S- 0 0 75 -3,-0.7 -2,-0.2 2,-0.2 -1,-0.2 0.523 88.5-127.0-127.3 -15.4 39.0 8.0 -2.8 35 36 A G < + 0 0 24 -4,-2.5 2,-0.2 1,-0.3 -3,-0.1 0.488 62.1 144.0 71.4 3.4 39.9 7.0 0.7 36 37 A L - 0 0 94 -5,-0.3 -5,-2.9 -6,-0.1 2,-0.3 -0.482 45.4-128.1 -79.1 147.5 36.5 8.4 1.8 37 38 A Q E +C 30 0A 106 -7,-0.2 57,-0.6 -2,-0.2 2,-0.2 -0.732 31.6 163.6-105.7 145.1 34.7 6.6 4.6 38 39 A Y E -CD 29 93A 31 -9,-2.2 -9,-2.6 -2,-0.3 2,-0.5 -0.797 39.5-106.0-141.6 175.8 31.1 5.4 4.7 39 40 A A E -CD 28 92A 7 53,-2.9 53,-3.3 -2,-0.2 2,-0.7 -0.980 29.7-152.2-113.9 115.6 28.7 3.1 6.5 40 41 A A E -CD 27 91A 3 -13,-3.3 -13,-2.6 -2,-0.5 2,-0.7 -0.808 7.1-161.5 -91.9 115.9 28.0 -0.1 4.6 41 42 A K E -CD 26 90A 22 49,-2.8 49,-2.7 -2,-0.7 2,-0.8 -0.883 2.3-159.7-101.3 110.9 24.5 -1.5 5.6 42 43 A F E -CD 25 89A 41 -17,-3.3 -17,-1.6 -2,-0.7 2,-0.5 -0.824 8.6-166.7 -93.5 110.0 24.2 -5.2 4.6 43 44 A I E -CD 24 88A 4 45,-3.4 45,-2.2 -2,-0.8 2,-0.3 -0.884 19.5-126.8-102.9 123.6 20.5 -6.1 4.4 44 45 A K E - D 0 87A 91 -21,-3.1 11,-3.0 -2,-0.5 43,-0.2 -0.498 24.1-137.1 -71.1 126.4 19.7 -9.8 4.2 45 46 A K B -f 55 0B 30 41,-2.9 2,-0.3 -2,-0.3 11,-0.2 -0.428 23.7 -99.1 -76.0 155.4 17.4 -10.8 1.3 46 47 A R - 0 0 94 9,-1.1 8,-0.2 8,-0.2 3,-0.1 -0.571 22.4-153.8 -70.6 137.4 14.5 -13.1 1.4 47 48 A R S S+ 0 0 120 6,-0.3 2,-0.3 -2,-0.3 -1,-0.1 0.686 79.4 13.8 -86.8 -22.3 15.3 -16.6 0.2 48 49 A T S > S- 0 0 79 5,-0.3 3,-1.5 1,-0.1 -1,-0.3 -0.976 79.9-111.2-150.8 151.9 11.7 -17.4 -0.8 49 50 A K T 3 S+ 0 0 205 -2,-0.3 -1,-0.1 1,-0.3 -3,-0.0 0.820 116.3 42.7 -49.0 -45.4 8.5 -15.4 -1.3 50 51 A S T 3 S+ 0 0 103 -3,-0.0 -1,-0.3 -4,-0.0 -4,-0.0 0.438 89.2 119.8 -89.0 -1.7 6.7 -16.8 1.7 51 52 A S < - 0 0 9 -3,-1.5 -5,-0.1 1,-0.1 5,-0.0 -0.265 52.4-156.6 -65.5 150.9 9.7 -16.6 4.0 52 53 A R S S+ 0 0 167 3,-0.0 2,-0.2 4,-0.0 -1,-0.1 0.552 71.7 86.9-100.7 -16.2 9.6 -14.5 7.2 53 54 A R S S+ 0 0 153 -5,-0.1 -6,-0.3 2,-0.1 -5,-0.3 -0.589 83.2 15.5 -85.1 148.8 13.4 -14.2 7.3 54 55 A G S S- 0 0 4 -2,-0.2 2,-0.4 -8,-0.2 -9,-0.2 -0.011 95.5 -68.9 75.9 174.5 15.2 -11.5 5.5 55 56 A V B -f 45 0B 29 -11,-3.0 -9,-1.1 -32,-0.2 -2,-0.1 -0.863 48.5-113.3-106.6 133.3 13.7 -8.3 4.0 56 57 A S > - 0 0 21 -2,-0.4 4,-2.3 -11,-0.2 5,-0.2 -0.259 23.4-120.5 -60.3 150.1 11.4 -8.4 1.0 57 58 A R H > S+ 0 0 87 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.891 114.6 57.7 -62.7 -36.6 12.7 -6.9 -2.2 58 59 A E H > S+ 0 0 130 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.924 108.4 46.0 -55.5 -46.0 9.8 -4.4 -2.1 59 60 A D H > S+ 0 0 61 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.874 113.3 48.6 -67.8 -38.9 10.8 -3.2 1.3 60 61 A I H X S+ 0 0 3 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.953 111.6 49.8 -64.2 -46.6 14.5 -2.9 0.4 61 62 A E H X S+ 0 0 53 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.849 108.1 53.6 -64.4 -35.1 13.7 -1.0 -2.8 62 63 A R H X S+ 0 0 50 -4,-2.0 4,-2.3 -5,-0.2 5,-0.2 0.936 109.6 47.7 -62.5 -46.8 11.4 1.4 -0.9 63 64 A E H X S+ 0 0 14 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.937 114.9 45.8 -59.1 -47.2 14.2 2.2 1.6 64 65 A V H X S+ 0 0 2 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.926 111.6 52.0 -62.6 -44.0 16.7 2.8 -1.3 65 66 A S H X S+ 0 0 69 -4,-2.7 4,-0.7 2,-0.2 -1,-0.2 0.864 112.9 44.6 -62.5 -39.7 14.2 4.9 -3.3 66 67 A I H >X S+ 0 0 4 -4,-2.3 3,-1.0 2,-0.2 4,-0.8 0.935 112.2 51.4 -69.8 -46.9 13.5 7.2 -0.3 67 68 A L H >< S+ 0 0 3 -4,-2.6 3,-1.0 1,-0.3 11,-0.5 0.897 104.1 58.6 -57.6 -40.6 17.2 7.5 0.5 68 69 A K H 3< S+ 0 0 130 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.787 104.3 53.4 -59.6 -28.2 18.0 8.4 -3.1 69 70 A E H << S+ 0 0 70 -3,-1.0 2,-0.4 -4,-0.7 -1,-0.2 0.716 92.5 88.6 -75.1 -26.0 15.6 11.4 -2.8 70 71 A I << + 0 0 6 -3,-1.0 8,-0.3 -4,-0.8 2,-0.3 -0.642 34.0 156.6 -99.7 133.7 17.1 13.0 0.3 71 72 A Q + 0 0 137 -2,-0.4 5,-0.1 6,-0.1 6,-0.1 -0.840 28.8 124.5-145.8 103.0 19.8 15.6 0.7 72 73 A H > - 0 0 38 3,-0.3 3,-1.8 -2,-0.3 53,-0.0 -0.963 65.5-114.8-158.5 144.0 19.7 17.7 3.9 73 74 A P T 3 S+ 0 0 92 0, 0.0 52,-0.1 0, 0.0 -1,-0.0 0.755 113.8 51.4 -55.8 -26.0 22.3 18.3 6.6 74 75 A N T 3 S+ 0 0 17 83,-0.1 84,-2.7 50,-0.1 2,-0.3 0.239 103.5 64.2-102.2 14.1 20.1 16.5 9.2 75 76 A V B < S-g 158 0C 0 -3,-1.8 -3,-0.3 82,-0.3 2,-0.2 -0.941 84.7-106.5-129.6 157.4 19.5 13.3 7.3 76 77 A I - 0 0 7 82,-1.8 2,-0.3 -2,-0.3 -6,-0.1 -0.524 34.6-145.6 -74.2 142.5 21.7 10.5 6.1 77 78 A T - 0 0 25 -2,-0.2 16,-2.6 -6,-0.1 2,-0.5 -0.736 10.4-120.6-107.9 165.3 22.5 10.3 2.4 78 79 A L E + E 0 92A 30 -11,-0.5 14,-0.2 -8,-0.3 3,-0.1 -0.891 24.0 178.7-105.1 129.8 23.0 7.3 0.1 79 80 A H E - 0 0 76 12,-3.2 2,-0.3 -2,-0.5 13,-0.2 0.886 62.8 -23.6 -93.2 -51.7 26.2 7.0 -1.8 80 81 A E E - E 0 91A 35 11,-1.3 11,-3.0 2,-0.0 2,-0.4 -0.972 51.5-137.8-156.1 161.3 25.9 3.7 -3.7 81 82 A V E + E 0 90A 13 -2,-0.3 -77,-1.7 9,-0.2 2,-0.3 -0.995 19.6 177.3-132.8 131.5 24.0 0.4 -3.7 82 83 A Y E -aE 4 89A 2 7,-2.8 7,-3.1 -2,-0.4 2,-0.3 -0.791 5.8-170.4-117.1 164.2 25.4 -3.1 -4.4 83 84 A E E + E 0 88A 6 -79,-2.7 2,-0.2 -2,-0.3 5,-0.2 -0.994 11.1 173.5-150.9 158.8 23.8 -6.5 -4.3 84 85 A N - 0 0 78 3,-2.5 -78,-0.1 -2,-0.3 -81,-0.0 -0.802 57.9 -70.6-143.8-170.8 24.6 -10.2 -4.4 85 86 A K S S+ 0 0 175 -2,-0.2 3,-0.1 1,-0.2 -40,-0.0 0.825 129.6 26.8 -57.1 -32.5 22.6 -13.4 -4.0 86 87 A T S S+ 0 0 51 1,-0.2 -41,-2.9 -42,-0.1 2,-0.3 0.728 120.3 32.0-105.5 -23.6 22.2 -12.9 -0.2 87 88 A D E -D 44 0A 20 -43,-0.2 -3,-2.5 2,-0.0 2,-0.5 -0.962 51.4-143.3-139.7 149.9 22.4 -9.2 0.5 88 89 A V E -DE 43 83A 0 -45,-2.2 -45,-3.4 -2,-0.3 2,-0.6 -0.962 30.2-153.4-103.2 133.0 21.7 -5.7 -0.7 89 90 A I E -DE 42 82A 2 -7,-3.1 -7,-2.8 -2,-0.5 2,-0.6 -0.932 6.1-162.2-116.7 110.2 24.5 -3.4 0.5 90 91 A L E -DE 41 81A 0 -49,-2.7 -49,-2.8 -2,-0.6 2,-1.0 -0.830 9.8-149.6 -93.6 118.8 23.7 0.3 1.0 91 92 A I E -DE 40 80A 0 -11,-3.0 -12,-3.2 -2,-0.6 -11,-1.3 -0.786 31.2-177.5 -89.1 105.7 26.8 2.5 1.1 92 93 A L E -DE 39 78A 19 -53,-3.3 -53,-2.9 -2,-1.0 -14,-0.2 -0.669 35.6 -86.0-104.9 156.7 25.5 5.3 3.4 93 94 A E E -D 38 0A 54 -16,-2.6 2,-0.4 -2,-0.2 -55,-0.2 -0.412 52.5-117.8 -54.4 131.2 27.0 8.5 4.7 94 95 A L - 0 0 32 -57,-0.6 2,-0.6 -2,-0.1 -1,-0.1 -0.612 24.4-167.7 -76.5 130.3 29.0 7.7 7.8 95 96 A V - 0 0 6 -2,-0.4 3,-0.5 1,-0.1 52,-0.1 -0.960 10.0-178.6-117.8 109.9 27.8 9.2 11.1 96 97 A A + 0 0 71 -2,-0.6 51,-0.2 51,-0.4 52,-0.1 0.488 58.7 77.4 -93.9 -8.2 30.8 8.6 13.5 97 98 A G S S- 0 0 6 49,-2.3 -1,-0.2 1,-0.2 50,-0.2 0.230 93.6-116.7 -95.5 15.2 29.7 10.0 16.8 98 99 A G - 0 0 24 -3,-0.5 48,-2.9 48,-0.2 -1,-0.2 0.033 44.6 -43.2 80.5 173.4 27.3 7.3 18.0 99 100 A E B > -H 145 0C 37 46,-0.2 4,-2.1 1,-0.1 3,-0.4 -0.466 41.3-127.4 -74.7 144.7 23.6 7.1 18.7 100 101 A L H > S+ 0 0 0 44,-3.1 4,-2.8 41,-0.8 5,-0.2 0.875 112.2 65.2 -54.4 -37.0 21.8 9.8 20.6 101 102 A F H > S+ 0 0 114 40,-1.4 4,-1.6 43,-0.2 -1,-0.2 0.910 104.9 41.2 -49.9 -48.6 20.6 6.9 22.7 102 103 A D H > S+ 0 0 64 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.874 112.1 55.1 -73.5 -36.8 24.1 6.2 23.9 103 104 A F H X S+ 0 0 20 -4,-2.1 4,-1.7 1,-0.2 5,-0.2 0.916 110.1 47.0 -56.7 -46.5 25.0 9.9 24.4 104 105 A L H X S+ 0 0 32 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.851 110.3 53.0 -65.8 -36.3 21.9 10.2 26.7 105 106 A A H < S+ 0 0 72 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.872 112.6 43.7 -66.8 -38.1 22.9 7.1 28.6 106 107 A E H < S+ 0 0 129 -4,-2.0 -2,-0.2 1,-0.1 -1,-0.2 0.782 121.1 37.9 -79.8 -30.9 26.4 8.3 29.3 107 108 A K H < S- 0 0 80 -4,-1.7 -2,-0.2 -5,-0.2 -3,-0.2 0.786 81.7-167.5 -90.8 -35.5 25.6 11.9 30.2 108 109 A E < + 0 0 165 -4,-2.1 2,-0.1 -5,-0.2 -4,-0.1 0.357 61.0 48.7 64.5 4.6 22.3 11.3 32.2 109 110 A S - 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0 0 28 -2,-0.3 3,-0.3 1,-0.1 -9,-0.1 -0.827 16.2-143.1 -99.8 128.5 10.1 7.3 28.9 215 216 A P S S+ 0 0 14 0, 0.0 19,-0.3 0, 0.0 -1,-0.1 0.786 92.4 20.4 -65.6 -31.1 6.4 8.5 29.1 216 217 A F S S+ 0 0 2 -35,-0.3 11,-0.3 17,-0.1 2,-0.2 0.405 84.2 135.6-117.3 -2.2 4.5 5.3 28.2 217 218 A L + 0 0 93 -3,-0.3 2,-0.1 -36,-0.1 -3,-0.1 -0.335 26.9 178.0 -66.9 120.5 7.0 2.5 29.0 218 219 A G - 0 0 16 2,-0.4 -2,-0.1 -2,-0.2 -1,-0.0 -0.359 45.9 -95.6-100.4-171.3 5.6 -0.4 30.9 219 220 A D S S+ 0 0 153 -2,-0.1 2,-0.3 2,-0.0 -2,-0.1 0.611 108.3 32.7 -85.1 -12.8 7.3 -3.7 32.0 220 221 A T S > S- 0 0 34 1,-0.1 4,-2.2 61,-0.0 -2,-0.4 -0.938 86.9-111.7-135.2 161.9 6.0 -5.5 28.9 221 222 A K H > S+ 0 0 62 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.896 117.5 54.4 -59.4 -41.2 5.4 -4.5 25.3 222 223 A Q H > S+ 0 0 116 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.889 108.1 49.3 -63.5 -38.5 1.6 -5.0 25.7 223 224 A E H > S+ 0 0 92 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.941 110.9 49.4 -65.3 -46.1 1.6 -2.7 28.7 224 225 A T H X S+ 0 0 3 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.941 112.9 47.8 -55.1 -47.4 3.6 0.0 26.8 225 226 A L H X S+ 0 0 23 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.881 110.7 50.1 -65.1 -39.7 1.1 -0.3 23.9 226 227 A A H X S+ 0 0 59 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.902 111.1 50.5 -63.3 -40.5 -1.9 -0.1 26.1 227 228 A N H <>S+ 0 0 39 -4,-2.5 5,-3.1 -11,-0.3 4,-0.5 0.913 110.4 49.4 -62.9 -44.1 -0.4 3.0 27.7 228 229 A V H ><5S+ 0 0 0 -4,-2.5 3,-1.6 3,-0.2 -2,-0.2 0.955 110.9 48.8 -58.8 -51.1 0.2 4.6 24.3 229 230 A S H 3<5S+ 0 0 23 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.856 116.0 43.4 -62.2 -34.0 -3.3 3.9 23.1 230 231 A A T 3<5S- 0 0 71 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.442 108.8-122.7 -86.7 -1.8 -4.8 5.3 26.3 231 232 A V T < 5 + 0 0 40 -3,-1.6 2,-1.5 -4,-0.5 -3,-0.2 0.912 46.8 174.4 51.3 47.4 -2.4 8.3 26.3 232 233 A N < + 0 0 95 -5,-3.1 2,-0.3 -6,-0.2 -1,-0.2 -0.641 27.4 111.9 -87.3 78.3 -1.4 7.1 29.8 233 234 A Y - 0 0 42 -2,-1.5 2,-0.3 -3,-0.2 -17,-0.1 -0.979 36.4-179.7-141.1 158.1 1.5 9.5 30.6 234 235 A E - 0 0 119 -2,-0.3 2,-1.0 -19,-0.3 -2,-0.0 -0.968 37.2-102.3-148.6 163.8 2.1 12.3 33.0 235 236 A F - 0 0 23 -2,-0.3 2,-0.2 5,-0.0 5,-0.0 -0.760 38.6-142.0 -89.5 99.7 4.9 14.8 33.9 236 237 A E >> - 0 0 79 -2,-1.0 4,-2.6 1,-0.1 3,-1.2 -0.405 3.8-142.0 -66.3 126.2 6.5 13.4 37.1 237 238 A D H 3> S+ 0 0 117 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.846 99.2 63.1 -56.6 -36.2 7.5 16.2 39.4 238 239 A E H 34 S+ 0 0 172 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.836 118.0 28.2 -59.1 -32.6 10.7 14.3 40.4 239 240 A Y H <4 S+ 0 0 113 -3,-1.2 -2,-0.2 1,-0.1 -1,-0.2 0.744 130.9 35.5 -97.0 -28.8 11.9 14.7 36.8 240 241 A F H >< S+ 0 0 1 -4,-2.6 3,-2.2 1,-0.1 -3,-0.2 0.392 76.6 108.5-113.2 2.2 10.1 17.8 35.6 241 242 A S T 3< S+ 0 0 84 -4,-2.1 -1,-0.1 1,-0.3 -3,-0.1 0.776 92.4 35.5 -55.2 -32.6 10.0 20.2 38.7 242 243 A N T 3 S+ 0 0 157 -3,-0.2 2,-0.4 -5,-0.2 -1,-0.3 0.129 95.6 106.5-106.7 17.0 12.7 22.5 37.2 243 244 A T S < S- 0 0 25 -3,-2.2 -3,-0.0 1,-0.1 -132,-0.0 -0.790 78.4-104.4 -94.0 139.9 11.5 22.1 33.5 244 245 A S > - 0 0 39 -2,-0.4 4,-1.6 1,-0.1 3,-0.2 -0.253 15.0-127.7 -66.6 149.1 9.6 25.1 32.0 245 246 A A H > S+ 0 0 80 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.836 110.8 60.4 -63.2 -30.9 5.8 25.0 31.6 246 247 A L H > S+ 0 0 72 2,-0.2 4,-2.2 1,-0.2 27,-0.2 0.878 101.8 51.8 -64.0 -40.1 6.4 26.0 27.9 247 248 A A H > S+ 0 0 0 -3,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.905 110.4 48.8 -59.9 -43.4 8.4 22.8 27.4 248 249 A K H X S+ 0 0 40 -4,-1.6 4,-2.9 2,-0.2 -2,-0.2 0.887 108.0 54.5 -63.9 -37.9 5.5 20.8 28.9 249 250 A D H X S+ 0 0 48 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.926 106.2 52.5 -60.3 -47.0 3.1 22.6 26.6 250 251 A F H < S+ 0 0 0 -4,-2.2 4,-0.5 1,-0.2 3,-0.3 0.937 113.1 43.3 -52.8 -51.9 5.1 21.6 23.6 251 252 A I H >X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 3,-1.7 0.919 110.0 56.7 -62.7 -43.8 5.0 17.9 24.6 252 253 A R H 3< S+ 0 0 134 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.826 104.1 53.1 -58.7 -33.0 1.4 18.1 25.5 253 254 A R T 3< S+ 0 0 126 -4,-1.8 10,-2.2 -3,-0.3 -1,-0.3 0.563 113.2 43.6 -82.8 -7.7 0.5 19.3 22.0 254 255 A L T <4 S+ 0 0 0 -3,-1.7 2,-1.8 -4,-0.5 -2,-0.2 0.747 100.6 67.0 -99.2 -36.8 2.3 16.4 20.4 255 256 A L S < S+ 0 0 6 -4,-2.5 2,-0.4 -52,-0.1 -1,-0.1 -0.442 73.3 132.3 -87.8 65.0 1.1 13.6 22.7 256 257 A V - 0 0 36 -2,-1.8 6,-0.1 -3,-0.2 -25,-0.1 -0.969 54.1-143.7-121.9 127.7 -2.5 13.9 21.4 257 258 A K S S+ 0 0 100 -2,-0.4 -71,-0.2 -72,-0.1 -1,-0.1 0.916 85.3 72.1 -61.1 -49.1 -4.5 10.8 20.4 258 259 A D S >> S- 0 0 40 1,-0.2 3,-1.4 -73,-0.1 4,-0.8 -0.576 74.0-152.4 -72.9 114.4 -6.4 12.3 17.5 259 260 A P G >4 S+ 0 0 34 0, 0.0 3,-0.5 0, 0.0 -1,-0.2 0.802 92.8 60.2 -60.7 -26.9 -3.8 12.8 14.7 260 261 A K G 34 S+ 0 0 180 1,-0.2 4,-0.1 -3,-0.0 -2,-0.1 0.748 106.0 46.8 -69.4 -24.7 -5.8 15.7 13.3 261 262 A K G <4 S+ 0 0 153 -3,-1.4 -1,-0.2 2,-0.1 2,-0.1 0.537 91.8 101.4 -95.6 -9.8 -5.4 17.7 16.6 262 263 A R S << S- 0 0 7 -4,-0.8 -8,-0.2 -3,-0.5 2,-0.1 -0.397 85.3 -95.4 -73.7 148.7 -1.7 17.0 17.0 263 264 A M - 0 0 17 -10,-2.2 -1,-0.1 -13,-0.2 2,-0.1 -0.412 38.7-136.5 -60.2 140.3 0.8 19.7 16.1 264 265 A T > - 0 0 68 -2,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.390 30.5 -97.3 -84.5 173.7 2.3 19.4 12.6 265 266 A I H > S+ 0 0 10 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.922 127.9 50.6 -59.4 -41.1 6.0 19.9 11.9 266 267 A Q H > S+ 0 0 118 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.922 109.3 50.7 -63.8 -41.7 5.3 23.5 10.9 267 268 A D H > S+ 0 0 79 1,-0.2 4,-1.1 2,-0.2 3,-0.4 0.903 107.0 55.0 -56.9 -43.2 3.4 24.1 14.1 268 269 A S H < S+ 0 0 0 -4,-2.4 3,-0.3 1,-0.2 6,-0.2 0.873 106.7 49.8 -64.4 -34.6 6.3 22.7 16.1 269 270 A L H < S+ 0 0 30 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.751 114.1 45.6 -75.4 -23.1 8.7 25.1 14.5 270 271 A Q H < S+ 0 0 114 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.526 84.5 118.3 -92.9 -9.3 6.4 28.1 15.3 271 272 A H S >X S- 0 0 10 -4,-1.1 4,-3.0 -3,-0.3 3,-1.9 -0.335 76.1-120.4 -61.1 137.7 5.7 27.0 18.9 272 273 A P T 34 S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 -26,-0.1 0.746 111.7 59.7 -55.8 -23.8 6.9 29.6 21.3 273 274 A W T 34 S+ 0 0 28 -27,-0.2 -26,-0.1 1,-0.1 -2,-0.1 0.804 121.1 25.3 -69.4 -27.6 9.3 27.1 23.0 274 275 A I T <4 S+ 0 0 5 -3,-1.9 -1,-0.1 -6,-0.2 -5,-0.1 0.827 94.8 97.1-104.0 -45.5 11.1 26.6 19.6 275 276 A K < 0 0 106 -4,-3.0 -5,-0.1 -7,-0.2 -6,-0.0 -0.299 360.0 360.0 -58.9 123.8 10.6 29.8 17.6 276 277 A P 0 0 154 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.851 360.0 360.0 -72.9 360.0 13.6 32.1 17.9 277 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 278 291 A P 0 0 97 0, 0.0 -100,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -28.0 8.7 -5.4 16.7 279 292 A Q + 0 0 29 -100,-0.1 2,-0.3 -102,-0.1 -54,-0.1 0.535 360.0 82.1 -89.8 -7.4 5.5 -5.2 18.6 280 293 A F 0 0 151 -59,-0.0 0, 0.0 -58,-0.0 0, 0.0 -0.770 360.0 360.0-107.7 145.3 5.2 -8.8 19.8 281 294 A E 0 0 154 -2,-0.3 -2,-0.1 -61,-0.0 -61,-0.0 -0.652 360.0 360.0 -84.8 360.0 6.7 -10.6 22.8