==== 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 3GU7 . 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) . 14050.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 176 62.9 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 . 43 15.4 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 . 15 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 77 27.5 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 2 0 0 0 2 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 1 2 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 0 115 0, 0.0 2,-0.3 0, 0.0 60,-0.0 0.000 360.0 360.0 360.0 169.9 -15.2 -2.1 10.0 2 3 A V - 0 0 112 81,-0.0 2,-0.2 1,-0.0 3,-0.0 -0.733 360.0-149.7-109.4 155.1 -18.7 -3.7 9.9 3 4 A F - 0 0 16 -2,-0.3 79,-0.2 1,-0.1 2,-0.2 -0.614 41.2 -65.8-114.6 171.4 -21.8 -2.6 8.1 4 5 A R B -a 82 0A 87 77,-1.3 79,-2.7 -2,-0.2 -1,-0.1 -0.385 41.8-166.1 -59.0 126.1 -25.6 -3.0 8.8 5 6 A Q + 0 0 128 77,-0.2 -1,-0.1 -2,-0.2 3,-0.1 0.352 45.7 116.4-105.6 10.1 -26.5 -6.6 8.6 6 7 A E S S- 0 0 85 1,-0.1 77,-0.2 2,-0.1 2,-0.2 -0.370 85.0 -84.5 -68.6 152.8 -30.3 -6.4 8.5 7 8 A N > - 0 0 90 1,-0.2 3,-1.8 2,-0.1 4,-0.4 -0.449 34.5-144.4 -59.6 122.6 -32.0 -7.6 5.3 8 9 A V G >> S+ 0 0 11 1,-0.3 4,-1.8 -2,-0.2 3,-1.8 0.852 98.1 66.6 -62.4 -28.8 -31.8 -4.7 2.9 9 10 A D G 34 S+ 0 0 80 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.630 88.8 65.7 -66.6 -13.3 -35.2 -5.8 1.5 10 11 A D G <4 S+ 0 0 94 -3,-1.8 -1,-0.3 1,-0.1 -2,-0.2 0.740 116.2 27.1 -74.2 -21.4 -36.7 -4.9 4.9 11 12 A Y T <4 S+ 0 0 77 -3,-1.8 21,-3.1 -4,-0.4 22,-0.5 0.610 123.3 37.5-117.3 -21.1 -35.8 -1.2 4.2 12 13 A Y E < -B 31 0A 1 -4,-1.8 2,-0.4 19,-0.3 19,-0.2 -0.963 59.0-143.4-135.0 149.9 -35.8 -0.8 0.4 13 14 A D E -B 30 0A 83 17,-2.4 17,-2.5 -2,-0.3 2,-0.2 -0.962 26.6-142.2-109.3 135.4 -37.7 -2.1 -2.6 14 15 A T E +B 29 0A 69 -2,-0.4 15,-0.3 15,-0.2 2,-0.1 -0.667 24.3 167.5 -98.0 155.9 -35.5 -2.7 -5.7 15 16 A G E + 0 0 46 13,-3.0 -1,-0.1 1,-0.4 14,-0.0 -0.090 45.4 5.7-132.6-130.7 -36.4 -2.0 -9.4 16 17 A E E S- 0 0 120 11,-0.1 12,-3.2 1,-0.1 -1,-0.4 -0.256 70.9-109.6 -68.0 150.4 -34.6 -1.9 -12.7 17 18 A E E -B 27 0A 101 10,-0.2 10,-0.3 1,-0.1 -1,-0.1 -0.589 28.5-172.6 -76.6 134.6 -31.0 -2.8 -13.1 18 19 A L E - 0 0 63 8,-3.4 2,-0.3 1,-0.4 9,-0.2 0.645 61.1 -18.0-100.4 -24.0 -28.9 0.3 -13.8 19 20 A G E -B 26 0A 25 7,-1.6 7,-2.8 2,-0.0 -1,-0.4 -0.970 52.2-137.4-179.1 164.9 -25.6 -1.3 -14.6 20 21 A S E +B 25 0A 100 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.979 18.4 178.1-140.3 140.8 -23.4 -4.4 -14.3 21 22 A G - 0 0 42 3,-3.5 -2,-0.0 -2,-0.3 5,-0.0 -0.781 49.7 -80.1-132.8-177.2 -19.8 -5.0 -13.5 22 23 A V S S- 0 0 137 -2,-0.2 -1,-0.1 1,-0.2 32,-0.0 0.957 125.8 -5.4 -47.9 -64.1 -17.3 -7.8 -13.1 23 24 A F S S+ 0 0 77 -3,-0.1 21,-3.0 21,-0.0 2,-0.3 0.147 125.3 80.2-120.1 19.3 -18.5 -8.6 -9.5 24 25 A A E - C 0 43A 20 19,-0.2 -3,-3.5 30,-0.1 2,-0.4 -0.952 49.7-171.6-124.5 146.0 -21.0 -5.7 -9.0 25 26 A V E -BC 20 42A 37 17,-1.4 17,-3.1 -2,-0.3 2,-0.5 -0.993 12.6-151.7-132.7 138.5 -24.6 -5.2 -10.0 26 27 A V E -BC 19 41A 33 -7,-2.8 -8,-3.4 -2,-0.4 -7,-1.6 -0.963 15.9-179.4-118.9 126.9 -26.4 -1.8 -9.6 27 28 A K E -BC 17 40A 57 13,-2.4 13,-3.5 -2,-0.5 -10,-0.2 -0.954 30.7-114.3-128.2 139.4 -30.2 -1.6 -9.2 28 29 A K E + C 0 39A 41 -12,-3.2 -13,-3.0 -2,-0.4 2,-0.3 -0.414 44.1 179.4 -64.3 144.9 -32.6 1.2 -8.7 29 30 A C E -BC 14 38A 4 9,-2.3 9,-2.3 -15,-0.3 2,-0.4 -0.974 25.4-139.9-148.9 165.0 -34.2 1.1 -5.3 30 31 A R E -BC 13 37A 113 -17,-2.5 -17,-2.4 -2,-0.3 2,-0.3 -0.996 20.7-130.3-133.0 122.7 -36.7 3.0 -3.1 31 32 A E E >> -B 12 0A 21 5,-2.9 4,-2.3 -2,-0.4 3,-0.6 -0.617 15.4-146.2 -74.3 128.7 -36.3 3.5 0.6 32 33 A K T 34 S+ 0 0 97 -21,-3.1 -1,-0.1 -2,-0.3 -20,-0.1 0.841 93.1 51.7 -64.5 -37.3 -39.5 2.5 2.4 33 34 A S T 34 S+ 0 0 97 -22,-0.5 -1,-0.2 1,-0.2 -21,-0.1 0.654 127.3 18.3 -78.2 -18.4 -39.4 5.1 5.2 34 35 A T T <4 S- 0 0 77 -3,-0.6 -2,-0.2 2,-0.2 -1,-0.2 0.559 88.3-129.1-126.6 -16.7 -38.8 8.1 2.9 35 36 A G < + 0 0 27 -4,-2.3 2,-0.2 1,-0.3 -3,-0.1 0.454 60.3 143.1 71.3 5.4 -39.9 7.1 -0.6 36 37 A L - 0 0 95 -5,-0.2 -5,-2.9 -6,-0.1 2,-0.3 -0.526 46.8-126.5 -78.0 144.9 -36.6 8.5 -1.9 37 38 A Q E +C 30 0A 114 -7,-0.2 57,-0.6 -2,-0.2 2,-0.2 -0.700 31.8 167.8 -99.4 143.1 -34.8 6.7 -4.7 38 39 A Y E -CD 29 93A 33 -9,-2.3 -9,-2.3 -2,-0.3 2,-0.5 -0.794 37.2-109.4-139.2 171.6 -31.2 5.4 -4.7 39 40 A A E -CD 28 92A 9 53,-3.1 53,-3.5 -2,-0.2 2,-0.7 -0.977 29.3-153.0-110.1 120.8 -28.8 3.2 -6.6 40 41 A A E -CD 27 91A 2 -13,-3.5 -13,-2.4 -2,-0.5 2,-0.7 -0.839 5.0-161.0 -96.7 118.7 -28.0 0.0 -4.8 41 42 A K E -CD 26 90A 23 49,-3.0 49,-2.4 -2,-0.7 2,-0.7 -0.884 3.7-159.1-102.2 112.5 -24.6 -1.4 -5.7 42 43 A F E -CD 25 89A 33 -17,-3.1 -17,-1.4 -2,-0.7 2,-0.6 -0.807 8.7-166.8 -93.2 111.8 -24.3 -5.1 -4.7 43 44 A I E -CD 24 88A 4 45,-3.5 45,-2.5 -2,-0.7 2,-0.3 -0.882 19.0-128.5-105.5 122.5 -20.6 -6.0 -4.5 44 45 A K E - D 0 87A 69 -21,-3.0 11,-2.6 -2,-0.6 43,-0.3 -0.516 24.6-137.9 -69.8 127.1 -19.8 -9.7 -4.3 45 46 A K B -f 55 0B 31 41,-2.9 2,-0.2 -2,-0.3 11,-0.2 -0.489 25.8 -94.8 -81.0 154.7 -17.4 -10.6 -1.4 46 47 A R - 0 0 101 9,-1.2 8,-0.2 -2,-0.2 -1,-0.1 -0.485 26.0-153.7 -66.4 136.5 -14.5 -13.0 -1.6 47 48 A R S S+ 0 0 159 6,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.650 76.7 13.2 -88.4 -19.8 -15.5 -16.5 -0.5 48 49 A T S > S- 0 0 79 5,-0.3 3,-0.8 1,-0.1 -1,-0.2 -0.969 80.5-107.3-149.0 158.7 -11.9 -17.4 0.6 49 50 A K T 3 S+ 0 0 205 -2,-0.3 -1,-0.1 1,-0.2 -3,-0.0 0.941 118.7 40.4 -47.8 -58.6 -8.6 -15.7 1.3 50 51 A S T 3 S+ 0 0 105 -3,-0.1 -1,-0.2 -4,-0.0 -4,-0.0 0.547 91.1 123.1 -74.9 -7.7 -6.9 -17.0 -1.9 51 52 A S < - 0 0 11 -3,-0.8 -5,-0.1 1,-0.1 5,-0.1 -0.096 48.6-160.3 -62.3 152.8 -10.0 -16.6 -4.2 52 53 A R S S+ 0 0 161 3,-0.0 2,-0.4 4,-0.0 -1,-0.1 0.453 71.1 86.1-109.9 -7.5 -10.0 -14.5 -7.4 53 54 A R S S+ 0 0 164 -5,-0.1 -6,-0.5 2,-0.1 -5,-0.3 -0.764 86.9 15.4 -87.0 141.0 -13.8 -14.2 -7.5 54 55 A G S S- 0 0 4 -2,-0.4 2,-0.4 -8,-0.2 -9,-0.3 -0.088 92.9 -70.6 87.4 174.4 -15.2 -11.3 -5.6 55 56 A V B -f 45 0B 35 -11,-2.6 -9,-1.2 -32,-0.2 -2,-0.1 -0.898 47.8-112.9-111.7 134.5 -13.7 -8.2 -4.0 56 57 A S > - 0 0 21 -2,-0.4 4,-2.0 -11,-0.2 5,-0.2 -0.256 23.2-120.6 -64.0 151.5 -11.4 -8.4 -1.0 57 58 A R H > S+ 0 0 89 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.873 114.2 58.6 -60.7 -37.5 -12.8 -6.9 2.2 58 59 A E H > S+ 0 0 125 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.936 108.1 45.2 -54.3 -48.6 -9.8 -4.5 2.2 59 60 A D H > S+ 0 0 56 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.854 113.2 49.2 -65.5 -37.2 -10.8 -3.2 -1.2 60 61 A I H X S+ 0 0 2 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.932 111.1 50.2 -67.9 -45.0 -14.5 -2.8 -0.3 61 62 A E H X S+ 0 0 54 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.864 109.3 51.6 -60.4 -38.6 -13.6 -1.0 3.0 62 63 A R H X S+ 0 0 45 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.931 110.2 48.5 -62.7 -48.3 -11.3 1.4 1.0 63 64 A E H X S+ 0 0 11 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.925 114.7 46.3 -58.3 -46.1 -14.2 2.2 -1.5 64 65 A V H X S+ 0 0 3 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.932 110.8 51.2 -64.0 -45.0 -16.6 2.8 1.4 65 66 A S H X S+ 0 0 68 -4,-2.7 4,-1.0 2,-0.2 -2,-0.2 0.956 113.2 46.1 -56.7 -49.8 -14.2 5.0 3.4 66 67 A I H >X S+ 0 0 3 -4,-2.4 3,-1.3 1,-0.2 4,-0.8 0.959 112.6 49.7 -59.7 -51.2 -13.6 7.2 0.3 67 68 A L H >< S+ 0 0 4 -4,-2.7 3,-0.8 1,-0.3 11,-0.6 0.874 104.4 59.6 -54.7 -39.3 -17.3 7.4 -0.5 68 69 A K H 3< S+ 0 0 132 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.797 104.1 52.4 -63.7 -23.6 -18.1 8.4 3.1 69 70 A E H << S+ 0 0 75 -3,-1.3 2,-0.4 -4,-1.0 -1,-0.2 0.714 90.5 92.6 -81.8 -20.8 -15.8 11.5 2.8 70 71 A I << + 0 0 5 -3,-0.8 8,-0.4 -4,-0.8 2,-0.3 -0.618 32.0 154.9 -94.8 133.7 -17.2 13.0 -0.3 71 72 A Q + 0 0 141 -2,-0.4 5,-0.1 6,-0.1 6,-0.1 -0.813 29.0 123.9-146.5 103.1 -20.0 15.7 -0.6 72 73 A H > - 0 0 39 3,-0.4 3,-1.7 -2,-0.3 53,-0.0 -0.966 65.4-116.3-160.9 142.6 -19.8 17.7 -3.9 73 74 A P T 3 S+ 0 0 74 0, 0.0 52,-0.1 0, 0.0 -1,-0.0 0.731 113.7 49.8 -56.5 -27.6 -22.4 18.4 -6.6 74 75 A N T 3 S+ 0 0 14 83,-0.1 84,-2.7 47,-0.1 2,-0.3 0.260 105.1 64.5 -99.2 9.6 -20.2 16.6 -9.3 75 76 A V B < S-g 158 0C 0 -3,-1.7 -3,-0.4 82,-0.3 84,-0.2 -0.937 85.2-107.6-127.7 153.8 -19.5 13.4 -7.3 76 77 A I - 0 0 5 82,-1.9 2,-0.3 -2,-0.3 -6,-0.1 -0.429 32.6-142.8 -70.5 152.8 -21.8 10.7 -6.1 77 78 A T - 0 0 23 -2,-0.1 16,-2.4 -6,-0.1 2,-0.5 -0.817 10.0-122.7-118.0 161.3 -22.6 10.4 -2.4 78 79 A L E - E 0 92A 29 -11,-0.6 14,-0.2 -8,-0.4 3,-0.1 -0.888 23.0-179.9-107.6 127.5 -23.0 7.4 -0.2 79 80 A H E - 0 0 80 12,-3.3 2,-0.3 -2,-0.5 13,-0.2 0.925 63.1 -24.6 -90.7 -53.1 -26.3 7.1 1.7 80 81 A E E - E 0 91A 38 11,-1.1 11,-3.1 2,-0.0 2,-0.4 -0.954 52.4-136.2-153.5 162.9 -26.0 3.8 3.7 81 82 A V E + E 0 90A 13 -2,-0.3 -77,-1.3 9,-0.2 2,-0.3 -0.998 20.0 178.5-128.2 137.2 -24.1 0.5 3.6 82 83 A Y E -aE 4 89A 2 7,-2.7 7,-3.6 -2,-0.4 2,-0.3 -0.876 5.9-171.7-124.0 161.6 -25.5 -2.9 4.3 83 84 A E E + E 0 88A 7 -79,-2.7 2,-0.3 -2,-0.3 5,-0.2 -0.995 13.0 172.4-152.9 156.3 -23.9 -6.4 4.2 84 85 A N - 0 0 72 3,-2.3 -78,-0.1 -2,-0.3 -81,-0.0 -0.832 57.4 -75.5-142.7-171.9 -24.6 -10.0 4.3 85 86 A K S S+ 0 0 182 -2,-0.3 3,-0.1 1,-0.2 -40,-0.0 0.786 127.8 34.2 -63.3 -25.3 -22.4 -13.2 3.8 86 87 A T S S+ 0 0 55 1,-0.2 -41,-2.9 -42,-0.1 2,-0.3 0.815 120.3 22.3-101.0 -31.2 -22.4 -12.8 0.0 87 88 A D E -D 44 0A 20 -43,-0.3 -3,-2.3 -33,-0.1 2,-0.4 -0.917 52.5-137.4-135.6 156.1 -22.4 -9.1 -0.7 88 89 A V E -DE 43 83A 0 -45,-2.5 -45,-3.5 -2,-0.3 2,-0.6 -0.946 30.3-154.3-100.9 139.4 -21.6 -5.6 0.5 89 90 A I E -DE 42 82A 2 -7,-3.6 -7,-2.7 -2,-0.4 2,-0.6 -0.928 7.1-165.7-120.9 112.2 -24.5 -3.3 -0.6 90 91 A L E -DE 41 81A 0 -49,-2.4 -49,-3.0 -2,-0.6 2,-0.9 -0.839 12.3-148.6 -95.7 126.7 -23.8 0.4 -1.0 91 92 A I E -DE 40 80A 0 -11,-3.1 -12,-3.3 -2,-0.6 -11,-1.1 -0.833 31.1-176.0 -96.0 108.1 -26.9 2.6 -1.2 92 93 A L E -DE 39 78A 20 -53,-3.5 -53,-3.1 -2,-0.9 -14,-0.2 -0.642 35.5 -85.2-105.8 156.8 -25.6 5.4 -3.5 93 94 A E E -D 38 0A 50 -16,-2.4 2,-0.3 -2,-0.2 -55,-0.2 -0.386 52.5-118.3 -54.6 129.6 -27.1 8.6 -4.8 94 95 A L - 0 0 30 -57,-0.6 2,-0.5 -65,-0.1 -1,-0.1 -0.635 24.5-166.6 -75.9 131.5 -29.1 7.7 -7.9 95 96 A V - 0 0 9 -2,-0.3 3,-0.5 1,-0.1 52,-0.1 -0.970 10.0-178.7-117.0 113.2 -27.9 9.4 -11.2 96 97 A A + 0 0 67 -2,-0.5 51,-0.2 51,-0.4 52,-0.1 0.474 59.4 76.5-102.0 -2.6 -30.8 8.8 -13.5 97 98 A G S S- 0 0 5 49,-2.5 -1,-0.2 1,-0.2 50,-0.2 0.216 95.1-119.2 -95.5 13.0 -29.8 10.3 -16.9 98 99 A G - 0 0 21 -3,-0.5 48,-3.1 48,-0.2 -1,-0.2 0.083 43.9 -39.1 78.0 172.4 -27.4 7.4 -17.9 99 100 A E B >> -H 145 0C 43 46,-0.2 4,-2.0 1,-0.1 3,-0.5 -0.373 41.1-128.4 -71.6 145.9 -23.7 7.2 -18.7 100 101 A L H 3> S+ 0 0 0 44,-3.3 4,-2.5 41,-0.8 5,-0.2 0.877 112.8 65.4 -56.5 -35.7 -21.8 9.9 -20.6 101 102 A F H 3> S+ 0 0 114 40,-1.6 4,-1.3 43,-0.2 -1,-0.2 0.885 105.2 39.9 -51.5 -45.7 -20.7 6.9 -22.6 102 103 A D H <> S+ 0 0 59 -3,-0.5 4,-1.4 2,-0.2 -1,-0.2 0.831 112.1 56.0 -78.5 -30.1 -24.3 6.2 -23.9 103 104 A F H < S+ 0 0 24 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.905 108.9 48.2 -63.8 -42.4 -25.1 9.9 -24.3 104 105 A L H >X S+ 0 0 23 -4,-2.5 4,-2.4 1,-0.2 3,-1.3 0.822 107.2 55.5 -66.5 -34.5 -22.0 10.1 -26.6 105 106 A A H 3< S+ 0 0 75 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.825 107.9 49.5 -64.9 -32.6 -23.2 7.0 -28.5 106 107 A E T 3< S+ 0 0 110 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.159 121.2 35.3 -92.1 14.4 -26.5 8.8 -29.2 107 108 A K T <4 S- 0 0 71 -3,-1.3 2,-0.3 -5,-0.1 -2,-0.2 0.516 82.1-150.9-139.3 -25.0 -24.6 11.9 -30.4 108 109 A E S < S+ 0 0 79 -4,-2.4 2,-0.2 -5,-0.1 -3,-0.1 0.146 75.4 0.4 69.0 -19.7 -21.4 10.7 -32.3 109 110 A S - 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0 0 29 -2,-0.3 3,-0.5 1,-0.1 -9,-0.1 -0.825 19.0-144.8 -98.5 126.2 -10.2 7.0 -28.9 215 216 A P S S+ 0 0 15 0, 0.0 19,-0.3 0, 0.0 -1,-0.1 0.730 92.0 22.9 -69.0 -27.8 -6.6 8.3 -29.2 216 217 A F S S+ 0 0 2 -35,-0.2 11,-0.3 17,-0.1 12,-0.2 0.336 83.9 137.5-114.5 0.4 -4.6 5.2 -28.2 217 218 A L + 0 0 95 -3,-0.5 2,-0.1 10,-0.1 4,-0.1 -0.322 27.1 178.1 -64.0 124.1 -7.0 2.4 -29.1 218 219 A G - 0 0 17 2,-0.3 6,-0.1 -2,-0.1 -2,-0.1 -0.425 45.3 -93.3-107.4-172.7 -5.4 -0.6 -30.8 219 220 A D S S+ 0 0 153 -2,-0.1 2,-0.3 2,-0.0 -2,-0.1 0.660 108.2 28.9 -81.3 -15.3 -6.9 -3.9 -32.0 220 221 A T S > S- 0 0 33 1,-0.1 4,-2.1 61,-0.0 -2,-0.3 -0.941 87.0-109.7-138.2 161.0 -6.0 -5.7 -28.8 221 222 A K H > S+ 0 0 68 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.905 118.6 53.1 -58.8 -40.8 -5.6 -4.6 -25.2 222 223 A Q H > S+ 0 0 110 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.897 107.5 50.2 -64.6 -41.7 -1.8 -5.2 -25.4 223 224 A E H > S+ 0 0 86 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.874 110.0 51.0 -61.8 -41.8 -1.5 -3.0 -28.5 224 225 A T H X S+ 0 0 3 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.942 110.0 50.2 -57.2 -47.8 -3.5 -0.2 -26.8 225 226 A L H X S+ 0 0 24 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.900 110.5 49.3 -59.6 -42.4 -1.2 -0.4 -23.8 226 227 A A H X S+ 0 0 58 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.907 109.8 51.2 -60.7 -45.9 1.9 -0.2 -26.1 227 228 A N H X>S+ 0 0 41 -4,-2.4 5,-3.2 -11,-0.3 4,-0.6 0.883 110.8 50.4 -56.6 -42.9 0.4 2.9 -27.8 228 229 A V H ><5S+ 0 0 0 -4,-2.5 3,-1.4 3,-0.2 -2,-0.2 0.959 109.5 48.0 -62.5 -50.9 -0.2 4.5 -24.4 229 230 A S H 3<5S+ 0 0 29 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.858 116.2 44.8 -60.8 -34.1 3.4 3.9 -23.1 230 231 A A H 3<5S- 0 0 72 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.523 108.9-124.6 -84.7 -7.1 4.8 5.3 -26.4 231 232 A V T <<5 + 0 0 38 -3,-1.4 2,-1.6 -4,-0.6 -3,-0.2 0.901 45.2 175.8 55.2 44.4 2.3 8.3 -26.3 232 233 A N < + 0 0 95 -5,-3.2 2,-0.3 -6,-0.2 -1,-0.2 -0.611 27.3 110.3 -82.6 78.5 1.3 7.0 -29.8 233 234 A Y - 0 0 40 -2,-1.6 2,-0.3 -3,-0.2 -17,-0.1 -0.974 37.0-178.5-143.2 161.3 -1.5 9.4 -30.6 234 235 A E - 0 0 118 -2,-0.3 2,-1.2 -19,-0.3 -2,-0.0 -0.985 37.7-102.0-153.3 161.5 -2.1 12.3 -33.1 235 236 A F - 0 0 20 -2,-0.3 2,-0.0 4,-0.0 13,-0.0 -0.697 39.8-140.2 -89.6 97.4 -4.9 14.7 -34.0 236 237 A E >> - 0 0 72 -2,-1.2 4,-3.0 1,-0.2 3,-1.2 -0.305 5.0-139.3 -58.8 129.3 -6.4 13.3 -37.2 237 238 A D H 3> S+ 0 0 116 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.874 100.9 62.7 -57.2 -37.6 -7.3 16.1 -39.6 238 239 A E H 34 S+ 0 0 183 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.800 117.3 28.7 -59.6 -32.1 -10.5 14.4 -40.5 239 240 A Y H <4 S+ 0 0 98 -3,-1.2 3,-0.2 2,-0.1 -2,-0.2 0.821 132.4 31.9 -92.0 -41.9 -11.7 14.8 -36.9 240 241 A F H >< S+ 0 0 0 -4,-3.0 3,-2.6 1,-0.2 -3,-0.2 0.459 79.0 106.1-104.0 -4.1 -9.9 17.9 -35.7 241 242 A S T 3< S+ 0 0 76 -4,-2.6 -1,-0.2 1,-0.3 -3,-0.1 0.791 95.8 33.6 -50.6 -34.4 -9.5 20.2 -38.8 242 243 A N T 3 S+ 0 0 157 -3,-0.2 2,-0.3 -5,-0.2 -1,-0.3 0.103 95.8 107.5-109.8 23.6 -12.1 22.5 -37.5 243 244 A T S < S- 0 0 25 -3,-2.6 -3,-0.0 1,-0.1 5,-0.0 -0.782 80.3 -99.1 -94.2 142.4 -11.3 22.1 -33.8 244 245 A S > - 0 0 40 -2,-0.3 4,-1.6 1,-0.1 3,-0.3 -0.246 18.7-127.2 -65.3 151.7 -9.6 25.1 -32.1 245 246 A A H > S+ 0 0 80 1,-0.2 4,-2.3 2,-0.2 -1,-0.1 0.813 110.5 59.4 -66.7 -28.9 -5.9 25.0 -31.6 246 247 A L H > S+ 0 0 73 2,-0.2 4,-2.3 1,-0.2 27,-0.2 0.834 101.6 52.9 -67.4 -36.8 -6.5 25.8 -27.8 247 248 A A H > S+ 0 0 0 -3,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.929 111.3 46.8 -61.2 -46.1 -8.5 22.6 -27.4 248 249 A K H X S+ 0 0 44 -4,-1.6 4,-3.0 2,-0.2 -2,-0.2 0.891 109.9 54.3 -60.8 -40.7 -5.6 20.7 -29.0 249 250 A D H X S+ 0 0 43 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.932 106.3 51.2 -59.4 -47.6 -3.2 22.5 -26.6 250 251 A F H X S+ 0 0 0 -4,-2.3 4,-0.7 1,-0.2 3,-0.3 0.953 114.0 44.7 -53.9 -52.1 -5.3 21.5 -23.6 251 252 A I H >X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 3,-1.4 0.929 109.6 55.0 -58.4 -46.9 -5.1 17.8 -24.7 252 253 A R H 3< S+ 0 0 131 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.805 105.7 53.2 -58.1 -32.4 -1.4 18.0 -25.6 253 254 A R H 3< S+ 0 0 131 -4,-1.8 10,-2.3 -3,-0.3 -1,-0.3 0.607 113.7 42.7 -81.0 -11.1 -0.6 19.2 -22.0 254 255 A L H << S+ 0 0 0 -3,-1.4 2,-1.9 -4,-0.7 -2,-0.2 0.772 100.7 66.6 -98.7 -38.2 -2.4 16.3 -20.4 255 256 A L S < S+ 0 0 5 -4,-2.5 2,-0.4 -52,-0.1 -1,-0.2 -0.432 73.9 134.8 -85.2 61.8 -1.2 13.5 -22.7 256 257 A V - 0 0 36 -2,-1.9 6,-0.1 -3,-0.2 -25,-0.1 -0.961 53.7-142.9-117.2 126.9 2.4 13.8 -21.4 257 258 A K S S+ 0 0 97 -2,-0.4 -71,-0.2 4,-0.1 -1,-0.1 0.905 86.3 68.0 -57.6 -51.4 4.4 10.7 -20.4 258 259 A D S >> S- 0 0 28 1,-0.2 3,-1.5 -73,-0.1 4,-0.7 -0.649 72.0-154.0 -76.6 114.1 6.2 12.2 -17.4 259 260 A P G >4 S+ 0 0 41 0, 0.0 3,-0.7 0, 0.0 -1,-0.2 0.817 94.1 62.1 -59.8 -29.1 3.6 12.8 -14.7 260 261 A K G 34 S+ 0 0 185 1,-0.2 4,-0.1 -3,-0.0 -2,-0.0 0.793 108.6 41.6 -64.4 -30.3 5.8 15.6 -13.3 261 262 A K G <4 S+ 0 0 157 -3,-1.5 -1,-0.2 2,-0.1 2,-0.2 0.457 94.5 102.6 -97.4 -2.5 5.5 17.5 -16.6 262 263 A R S << S- 0 0 6 -3,-0.7 -8,-0.2 -4,-0.7 -9,-0.1 -0.539 84.8 -95.9 -81.2 146.6 1.7 16.8 -17.0 263 264 A M - 0 0 16 -10,-2.3 2,-0.1 -2,-0.2 -1,-0.1 -0.309 38.9-133.5 -60.3 145.3 -0.8 19.7 -16.1 264 265 A T > - 0 0 52 1,-0.1 4,-2.1 -4,-0.1 5,-0.1 -0.392 28.0-100.2 -89.4 171.4 -2.2 19.4 -12.6 265 266 A I H > S+ 0 0 11 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.914 126.6 51.6 -59.7 -40.5 -6.0 19.8 -11.9 266 267 A Q H > S+ 0 0 114 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.921 109.3 49.3 -63.7 -39.4 -5.3 23.4 -10.8 267 268 A D H >> S+ 0 0 82 1,-0.2 4,-0.8 2,-0.2 3,-0.6 0.891 107.1 56.3 -61.4 -40.5 -3.4 24.1 -14.1 268 269 A S H 3< S+ 0 0 0 -4,-2.1 3,-0.3 1,-0.2 -1,-0.2 0.837 105.2 51.5 -62.7 -35.0 -6.3 22.6 -16.1 269 270 A L H 3< S+ 0 0 27 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.711 113.8 43.5 -74.4 -23.2 -8.8 25.0 -14.5 270 271 A Q H << S+ 0 0 111 -4,-0.9 -1,-0.2 -3,-0.6 -2,-0.2 0.444 84.5 119.9 -99.0 -6.5 -6.6 28.0 -15.4 271 272 A H S >X S- 0 0 9 -4,-0.8 4,-2.8 -3,-0.3 3,-1.7 -0.372 75.5-119.0 -61.3 135.7 -5.8 26.8 -18.9 272 273 A P T 34 S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 -26,-0.1 0.768 112.1 57.3 -50.7 -33.5 -7.1 29.5 -21.5 273 274 A W T 34 S+ 0 0 27 -27,-0.2 -26,-0.1 1,-0.1 -2,-0.1 0.803 121.5 28.2 -64.3 -29.7 -9.5 27.0 -23.2 274 275 A I T <4 S+ 0 0 6 -3,-1.7 -1,-0.1 -6,-0.2 -5,-0.1 0.874 95.6 95.1 -98.7 -46.1 -11.2 26.4 -19.8 275 276 A K < 0 0 103 -4,-2.8 -5,-0.1 -7,-0.1 -6,-0.0 -0.293 360.0 360.0 -58.8 124.0 -10.7 29.7 -17.7 276 277 A P 0 0 145 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.714 360.0 360.0 -65.5 360.0 -13.7 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 98 0, 0.0 -100,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -31.6 -8.7 -5.8 -16.8 279 292 A Q + 0 0 24 -102,-0.1 2,-0.3 -100,-0.1 -54,-0.1 0.647 360.0 77.2 -78.2 -17.4 -5.5 -5.1 -18.8 280 293 A F 0 0 145 -59,-0.1 0, 0.0 1,-0.0 0, 0.0 -0.698 360.0 360.0 -99.5 146.7 -5.3 -8.7 -20.1 281 294 A E 0 0 154 -2,-0.3 -2,-0.1 0, 0.0 -1,-0.0 -0.618 360.0 360.0 -73.6 360.0 -7.2 -10.4 -23.0