==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 01-DEC-10 2Y0A . COMPND 2 MOLECULE: DEATH-ASSOCIATED PROTEIN KINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.YUMEREFENDI,P.J.MAS,N.DORDEVIC,A.A.MCCARTHY,D.J.HART . 300 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15110.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 203 67.7 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 . 42 14.0 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 . 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 . 21 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 29.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 3 1 1 1 0 1 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 2 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 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 3 A V 0 0 116 0, 0.0 2,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 131.9 14.6 -35.4 -16.7 2 4 A F - 0 0 27 1,-0.2 79,-0.2 2,-0.0 80,-0.1 -0.598 360.0 -46.5-116.7 177.1 11.8 -33.0 -15.5 3 5 A R B -a 81 0A 81 77,-1.6 79,-2.0 -2,-0.2 -1,-0.2 -0.185 48.3-163.3 -52.4 131.3 7.9 -33.4 -15.0 4 6 A Q + 0 0 128 77,-0.2 -1,-0.1 2,-0.1 3,-0.1 0.702 52.2 101.8 -97.0 -19.2 6.4 -35.1 -18.0 5 7 A E S S- 0 0 79 1,-0.1 2,-0.3 2,-0.1 77,-0.3 -0.159 87.4 -87.0 -62.6 159.5 2.7 -34.3 -17.6 6 8 A N >> - 0 0 98 1,-0.1 3,-2.2 75,-0.1 4,-0.5 -0.523 29.7-138.0 -67.5 128.1 1.0 -31.6 -19.6 7 9 A V H >> S+ 0 0 7 -2,-0.3 4,-1.6 1,-0.3 3,-1.6 0.881 102.3 66.5 -58.5 -35.8 1.4 -28.3 -17.9 8 10 A D H 34 S+ 0 0 86 1,-0.3 -1,-0.3 2,-0.2 -2,-0.0 0.640 87.9 68.3 -58.6 -18.7 -2.2 -27.6 -18.8 9 11 A D H <4 S+ 0 0 103 -3,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.819 116.0 22.9 -69.9 -29.5 -3.3 -30.4 -16.5 10 12 A Y H << S+ 0 0 88 -3,-1.6 21,-3.0 -4,-0.5 2,-0.4 0.563 122.3 55.0-111.6 -13.4 -2.2 -28.5 -13.4 11 13 A Y E < -B 30 0A 3 -4,-1.6 2,-0.7 19,-0.2 19,-0.2 -0.973 57.4-150.2-132.0 139.1 -2.3 -24.8 -14.6 12 14 A D E -B 29 0A 86 17,-2.1 17,-1.2 -2,-0.4 2,-0.3 -0.930 32.7-151.9 -96.6 113.9 -4.8 -22.4 -16.3 13 15 A T E +B 28 0A 54 -2,-0.7 15,-0.3 15,-0.2 2,-0.0 -0.647 18.4 176.6 -96.6 147.5 -2.5 -20.1 -18.3 14 16 A G E - 0 0 43 13,-3.7 -1,-0.1 1,-0.3 2,-0.1 0.085 36.0 -13.3-117.9-130.4 -3.4 -16.6 -19.1 15 17 A E E - 0 0 124 11,-0.1 12,-2.0 1,-0.1 -1,-0.3 -0.326 67.3 -94.4 -86.6 158.2 -1.9 -13.5 -20.8 16 18 A E E -B 26 0A 101 10,-0.2 10,-0.3 1,-0.1 -1,-0.1 -0.480 28.4-175.3 -75.2 134.6 1.7 -12.8 -21.9 17 19 A L E - 0 0 78 8,-3.4 2,-0.2 1,-0.4 9,-0.2 0.322 62.0 -48.9-109.1 4.1 4.0 -10.9 -19.6 18 20 A G E -B 25 0A 28 7,-0.6 7,-2.2 2,-0.0 -1,-0.4 -0.839 47.2-129.9 146.1 173.2 7.1 -10.5 -21.8 19 21 A S - 0 0 77 -2,-0.2 5,-0.2 5,-0.2 21,-0.0 -0.729 5.6-165.3-168.1 111.7 9.5 -12.3 -24.1 20 22 A G - 0 0 60 3,-0.2 3,-0.1 -2,-0.2 5,-0.0 0.141 55.6 -83.8 -63.7-162.5 13.2 -12.6 -24.5 21 23 A Q S S+ 0 0 168 1,-0.2 32,-0.1 3,-0.0 -1,-0.0 0.869 127.5 26.3 -80.4 -36.1 14.5 -14.1 -27.8 22 24 A F S S+ 0 0 64 30,-0.1 21,-2.6 31,-0.0 2,-0.3 0.148 117.9 59.7-112.9 18.4 14.1 -17.7 -26.7 23 25 A A E - C 0 42A 17 19,-0.2 2,-0.4 -3,-0.1 -3,-0.2 -0.996 52.0-158.6-152.1 147.9 11.3 -17.5 -24.1 24 26 A V E - C 0 41A 50 17,-1.4 17,-3.3 -2,-0.3 2,-0.5 -0.996 15.6-153.2-127.8 132.6 7.7 -16.5 -23.5 25 27 A V E -BC 18 40A 34 -7,-2.2 -8,-3.4 -2,-0.4 -7,-0.6 -0.945 16.2-179.5-111.1 121.8 6.4 -15.7 -20.1 26 28 A K E -BC 16 39A 69 13,-2.2 13,-3.2 -2,-0.5 2,-0.2 -0.867 29.3-115.6-116.2 154.5 2.7 -16.2 -19.3 27 29 A K E + C 0 38A 47 -12,-2.0 -13,-3.7 -2,-0.3 2,-0.3 -0.574 43.0 177.4 -76.5 144.0 0.6 -15.6 -16.2 28 30 A C E -BC 13 37A 2 9,-1.5 9,-1.9 -15,-0.3 2,-0.4 -0.953 26.2-142.8-149.4 173.9 -0.9 -18.8 -14.7 29 31 A R E -BC 12 36A 118 -17,-1.2 -17,-2.1 -2,-0.3 2,-0.4 -0.995 23.2-126.9-142.6 123.7 -2.9 -20.2 -11.8 30 32 A E E > -B 11 0A 20 5,-2.7 4,-2.7 -2,-0.4 3,-0.3 -0.614 16.6-147.4 -74.2 127.6 -2.3 -23.6 -10.1 31 33 A K T 4 S+ 0 0 88 -21,-3.0 -1,-0.1 -2,-0.4 -20,-0.1 0.932 91.9 51.0 -64.9 -49.5 -5.6 -25.6 -10.1 32 34 A S T 4 S+ 0 0 105 -22,-0.3 -1,-0.2 1,-0.2 -21,-0.1 0.727 128.9 18.6 -61.3 -22.6 -5.2 -27.4 -6.8 33 35 A T T 4 S- 0 0 75 -3,-0.3 -2,-0.2 2,-0.2 -1,-0.2 0.618 88.8-130.3-122.9 -23.6 -4.4 -24.2 -4.8 34 36 A G < + 0 0 19 -4,-2.7 -3,-0.1 1,-0.3 -2,-0.1 0.471 58.1 143.9 80.0 0.3 -5.6 -21.3 -6.8 35 37 A L - 0 0 95 -5,-0.2 -5,-2.7 -6,-0.1 2,-0.4 -0.363 48.4-123.0 -68.5 154.7 -2.3 -19.5 -6.3 36 38 A Q E +C 29 0A 93 -7,-0.2 57,-0.5 -3,-0.1 -7,-0.2 -0.833 38.1 157.1-102.9 138.3 -0.8 -17.4 -9.1 37 39 A Y E -CD 28 92A 40 -9,-1.9 -9,-1.5 -2,-0.4 2,-0.3 -0.491 37.1-111.3-134.4-159.7 2.6 -18.0 -10.7 38 40 A A E -CD 27 91A 6 53,-1.7 53,-3.3 -11,-0.2 2,-0.6 -0.981 19.1-145.1-142.9 135.8 4.3 -17.3 -14.0 39 41 A A E -CD 26 90A 0 -13,-3.2 -13,-2.2 -2,-0.3 2,-0.7 -0.916 7.7-159.6-107.5 111.2 5.3 -19.9 -16.6 40 42 A K E -CD 25 89A 34 49,-2.9 49,-2.4 -2,-0.6 2,-0.8 -0.850 7.8-157.4 -87.8 111.4 8.5 -19.2 -18.5 41 43 A F E -CD 24 88A 31 -17,-3.3 -17,-1.4 -2,-0.7 2,-0.5 -0.805 9.4-167.3 -91.5 105.3 8.5 -21.3 -21.8 42 44 A I E -CD 23 87A 7 45,-3.1 45,-2.0 -2,-0.8 2,-0.4 -0.851 20.6-125.5 -98.0 131.1 12.1 -21.8 -22.9 43 45 A K E - D 0 86A 99 -21,-2.6 11,-2.0 -2,-0.5 2,-0.3 -0.583 22.5-131.2 -75.7 122.9 12.5 -23.1 -26.4 44 46 A K B -f 54 0B 41 41,-3.0 2,-0.6 -2,-0.4 11,-0.2 -0.572 12.5-129.2 -72.8 135.5 14.7 -26.2 -26.6 45 47 A R - 0 0 85 9,-2.0 11,-0.2 -2,-0.3 8,-0.2 -0.730 26.8-168.5 -76.3 119.4 17.5 -26.2 -29.2 46 48 A R + 0 0 190 -2,-0.6 2,-0.4 1,-0.2 -1,-0.2 0.845 63.1 38.1 -92.6 -23.1 16.8 -29.5 -30.8 47 49 A T S > S- 0 0 84 1,-0.1 3,-1.8 8,-0.0 -1,-0.2 -0.974 76.9-129.5-126.0 134.3 19.8 -30.1 -33.0 48 50 A K T 3 S+ 0 0 157 -2,-0.4 -1,-0.1 1,-0.3 7,-0.1 0.774 107.7 59.3 -48.6 -30.1 23.3 -29.2 -31.9 49 51 A S T 3 S+ 0 0 115 2,-0.0 -1,-0.3 -3,-0.0 -4,-0.0 0.753 86.0 102.9 -77.4 -23.0 23.9 -27.3 -35.2 50 52 A S < - 0 0 25 -3,-1.8 -5,-0.0 1,-0.1 0, 0.0 -0.193 54.6-160.9 -70.1 143.3 21.0 -24.9 -34.6 51 53 A R S S+ 0 0 238 3,-0.0 2,-0.1 -6,-0.0 -1,-0.1 0.641 74.9 83.8 -94.0 -15.6 21.2 -21.3 -33.5 52 54 A R S S+ 0 0 199 2,-0.1 -6,-0.1 -8,-0.0 -30,-0.1 -0.467 84.4 20.9 -82.9 153.9 17.6 -21.2 -32.5 53 55 A G S S- 0 0 8 -8,-0.2 2,-0.4 -2,-0.1 -9,-0.2 -0.019 89.4 -81.3 73.7 173.5 16.6 -22.5 -29.0 54 56 A V B -f 44 0B 31 -11,-2.0 -9,-2.0 -32,-0.1 -2,-0.1 -0.935 44.1-108.2-119.1 136.6 18.8 -23.0 -25.8 55 57 A S > - 0 0 17 -2,-0.4 4,-1.8 -11,-0.2 3,-0.4 -0.295 23.9-119.4 -62.1 151.2 21.1 -25.9 -25.3 56 58 A R H > S+ 0 0 84 1,-0.2 4,-2.7 -11,-0.2 5,-0.2 0.813 116.0 59.8 -54.0 -37.0 20.2 -28.5 -22.6 57 59 A E H > S+ 0 0 130 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.909 105.5 45.8 -64.0 -40.3 23.4 -27.6 -20.9 58 60 A D H > S+ 0 0 63 -3,-0.4 4,-1.8 2,-0.2 -2,-0.2 0.872 114.7 47.3 -72.8 -36.7 22.4 -23.9 -20.5 59 61 A I H X S+ 0 0 1 -4,-1.8 4,-2.8 2,-0.2 5,-0.2 0.893 110.1 51.5 -68.1 -43.0 18.9 -24.8 -19.2 60 62 A E H X S+ 0 0 83 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.880 109.5 52.0 -64.7 -34.7 20.2 -27.4 -16.7 61 63 A R H X S+ 0 0 65 -4,-1.6 4,-2.1 -5,-0.2 -1,-0.2 0.926 111.9 44.7 -63.3 -47.7 22.6 -24.8 -15.3 62 64 A E H X S+ 0 0 20 -4,-1.8 4,-3.0 1,-0.2 -2,-0.2 0.955 115.6 47.8 -60.2 -54.1 19.8 -22.2 -14.9 63 65 A V H X S+ 0 0 4 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.889 111.6 47.8 -54.6 -47.4 17.4 -24.7 -13.3 64 66 A S H X S+ 0 0 69 -4,-2.4 4,-0.9 -5,-0.2 -1,-0.2 0.907 112.9 48.9 -74.9 -31.9 19.8 -26.2 -10.9 65 67 A I H >X S+ 0 0 4 -4,-2.1 3,-0.9 -5,-0.2 4,-0.7 0.977 113.9 46.9 -55.7 -56.6 21.0 -22.8 -9.7 66 68 A L H >< S+ 0 0 5 -4,-3.0 3,-0.8 1,-0.3 11,-0.5 0.847 109.6 53.8 -52.5 -42.4 17.3 -21.8 -9.3 67 69 A K H 3< S+ 0 0 143 -4,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.789 106.1 56.5 -58.4 -29.6 16.5 -25.0 -7.4 68 70 A E H << S+ 0 0 79 -4,-0.9 2,-0.4 -3,-0.9 -1,-0.2 0.692 93.4 80.8 -84.4 -15.7 19.3 -24.2 -5.1 69 71 A I << + 0 0 4 -3,-0.8 8,-0.4 -4,-0.7 2,-0.3 -0.768 37.8 163.8-112.1 140.8 18.2 -20.8 -3.9 70 72 A Q + 0 0 144 -2,-0.4 5,-0.1 6,-0.1 6,-0.1 -0.882 26.8 127.2-149.7 102.0 15.7 -19.7 -1.3 71 73 A H > - 0 0 47 3,-0.4 3,-2.0 -2,-0.3 -2,-0.0 -0.949 62.3-116.4-160.0 141.2 15.9 -16.0 -0.0 72 74 A P T 3 S+ 0 0 71 0, 0.0 4,-0.1 0, 0.0 52,-0.1 0.710 113.1 48.9 -57.6 -24.2 13.2 -13.2 0.2 73 75 A N T 3 S+ 0 0 13 83,-0.1 84,-2.1 47,-0.1 2,-0.3 0.200 102.2 67.3-101.2 10.1 15.1 -11.0 -2.3 74 76 A V B < S-g 157 0C 1 -3,-2.0 -3,-0.4 82,-0.2 84,-0.2 -0.959 91.6 -98.6-123.4 154.1 15.7 -13.6 -5.1 75 77 A I - 0 0 14 82,-1.7 2,-0.4 -2,-0.3 -6,-0.1 -0.356 36.3-131.8 -67.5 150.2 13.0 -15.2 -7.3 76 78 A T - 0 0 39 -4,-0.1 16,-2.4 -6,-0.1 2,-0.5 -0.820 4.1-138.8-109.0 138.2 11.8 -18.7 -6.4 77 79 A L E - E 0 91A 23 -11,-0.5 14,-0.2 -8,-0.4 3,-0.1 -0.834 19.0-179.5 -92.3 133.2 11.3 -21.7 -8.7 78 80 A H E - 0 0 71 12,-3.2 2,-0.3 -2,-0.5 -1,-0.2 0.834 59.6 -21.9 -93.8 -50.4 8.2 -23.5 -8.0 79 81 A E E - E 0 90A 43 11,-1.3 11,-3.6 2,-0.0 2,-0.4 -0.988 50.7-135.4-167.2 154.7 8.3 -26.4 -10.5 80 82 A V E + E 0 89A 8 -2,-0.3 -77,-1.6 9,-0.2 2,-0.3 -0.988 20.9 175.7-132.0 128.2 9.8 -27.5 -13.8 81 83 A Y E -aE 3 88A 2 7,-2.6 7,-2.5 -2,-0.4 2,-0.3 -0.762 4.9-170.9-120.4 164.0 8.0 -29.2 -16.8 82 84 A E E + E 0 87A 17 -79,-2.0 2,-0.2 -77,-0.3 5,-0.2 -0.990 9.1 169.4-149.6 160.1 9.1 -30.3 -20.2 83 85 A N - 0 0 72 3,-1.9 -78,-0.0 -2,-0.3 -77,-0.0 -0.736 60.1 -61.4-142.9-162.0 7.7 -31.7 -23.5 84 86 A K S S+ 0 0 77 -2,-0.2 3,-0.0 1,-0.2 0, 0.0 0.858 131.2 17.9 -58.1 -39.6 9.0 -32.2 -27.1 85 87 A T S S+ 0 0 54 -42,-0.0 -41,-3.0 1,-0.0 2,-0.3 0.708 119.1 44.3-112.4 -22.9 9.8 -28.5 -27.7 86 88 A D E -D 43 0A 18 -43,-0.2 -3,-1.9 2,-0.0 2,-0.4 -0.788 50.8-145.3-122.5 164.9 9.9 -26.6 -24.4 87 89 A V E -DE 42 82A 0 -45,-2.0 -45,-3.1 -2,-0.3 2,-0.6 -0.996 29.6-154.8-117.0 128.7 11.2 -26.5 -20.8 88 90 A I E -DE 41 81A 3 -7,-2.5 -7,-2.6 -2,-0.4 2,-0.7 -0.914 6.6-163.7-113.9 110.3 8.6 -24.8 -18.6 89 91 A L E -DE 40 80A 0 -49,-2.4 -49,-2.9 -2,-0.6 2,-0.8 -0.870 10.5-149.8 -97.5 119.2 9.7 -23.1 -15.4 90 92 A I E -DE 39 79A 0 -11,-3.6 -12,-3.2 -2,-0.7 -11,-1.3 -0.823 30.9-176.1 -83.7 111.6 6.9 -22.3 -13.0 91 93 A L E -DE 38 77A 19 -53,-3.3 -53,-1.7 -2,-0.8 -14,-0.2 -0.761 33.0 -89.7-111.3 157.0 8.3 -19.2 -11.3 92 94 A E E -D 37 0A 42 -16,-2.4 2,-0.7 -2,-0.3 -55,-0.2 -0.339 50.4-110.3 -55.3 140.1 7.2 -16.9 -8.5 93 95 A L - 0 0 37 -57,-0.5 2,-0.8 -65,-0.0 -1,-0.1 -0.691 28.3-165.5 -82.6 114.1 5.0 -14.1 -9.9 94 96 A V + 0 0 22 -2,-0.7 3,-0.4 1,-0.1 52,-0.2 -0.831 17.0 167.5-103.0 98.8 6.8 -10.7 -9.6 95 97 A A + 0 0 76 51,-1.3 51,-0.2 -2,-0.8 52,-0.2 0.509 51.1 78.7 -94.8 -11.4 4.0 -8.2 -10.1 96 98 A G S S- 0 0 1 49,-2.4 -1,-0.2 50,-0.4 50,-0.2 0.419 83.7-134.9 -87.3 0.6 5.5 -4.8 -9.1 97 99 A G - 0 0 26 -3,-0.4 48,-1.2 48,-0.3 -1,-0.2 -0.014 50.6 -20.8 65.4-173.6 7.6 -3.9 -12.2 98 100 A E B > -H 144 0C 69 46,-0.2 4,-1.3 1,-0.1 3,-0.5 -0.370 54.4-131.9 -69.4 140.5 11.1 -2.5 -12.4 99 101 A L H > S+ 0 0 4 44,-2.7 4,-1.8 41,-0.4 5,-0.2 0.845 105.8 57.0 -55.6 -38.4 12.5 -0.8 -9.3 100 102 A F H > S+ 0 0 7 43,-0.4 4,-1.7 40,-0.3 -1,-0.2 0.862 104.6 51.0 -65.9 -34.3 13.7 2.2 -11.4 101 103 A D H 4 S+ 0 0 58 -3,-0.5 -1,-0.2 1,-0.2 -2,-0.2 0.807 110.7 49.2 -72.0 -31.3 10.2 2.9 -12.8 102 104 A F H >< S+ 0 0 28 -4,-1.3 3,-0.9 1,-0.2 -1,-0.2 0.831 110.1 49.8 -75.6 -33.1 8.8 2.9 -9.3 103 105 A L H >< S+ 0 0 0 -4,-1.8 3,-1.5 1,-0.2 -2,-0.2 0.852 101.6 64.1 -76.0 -32.8 11.4 5.2 -8.0 104 106 A A T 3< S+ 0 0 17 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.511 92.0 66.5 -61.5 -12.5 10.8 7.6 -10.9 105 107 A E T < S+ 0 0 125 -3,-0.9 -1,-0.3 -4,-0.1 2,-0.2 0.313 83.6 92.5 -94.0 7.6 7.3 8.2 -9.6 106 108 A K S < S- 0 0 74 -3,-1.5 3,-0.1 1,-0.1 -3,-0.0 -0.647 77.7-128.6-100.1 159.5 8.3 9.9 -6.4 107 109 A E S S- 0 0 170 1,-0.2 2,-0.3 -2,-0.2 -1,-0.1 0.749 86.2 -22.8 -75.8 -23.0 8.8 13.7 -5.9 108 110 A S - 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0 0 14 -6,-0.5 -1,-0.3 -5,-0.2 -2,-0.2 -0.908 66.5-128.8-114.2 142.6 23.5 9.0 -16.1 213 215 A S - 0 0 23 -2,-0.4 3,-0.1 1,-0.1 -9,-0.1 -0.736 17.5-145.4 -85.1 129.9 25.2 5.8 -17.3 214 216 A P S S+ 0 0 14 0, 0.0 19,-0.3 0, 0.0 -1,-0.1 0.889 90.1 23.6 -69.0 -33.3 28.8 5.9 -16.4 215 217 A F S S+ 0 0 1 -35,-0.3 2,-0.4 17,-0.1 12,-0.2 0.421 83.0 130.1-113.3 0.4 30.3 4.1 -19.4 216 218 A L + 0 0 87 -36,-0.1 2,-0.1 -3,-0.1 -3,-0.1 -0.393 33.5 178.6 -61.4 115.2 27.7 4.6 -22.2 217 219 A G - 0 0 17 -2,-0.4 -2,-0.0 2,-0.2 3,-0.0 -0.315 45.5 -87.6-103.5-169.1 29.4 5.9 -25.4 218 220 A D S S+ 0 0 157 -2,-0.1 2,-0.3 1,-0.1 3,-0.1 0.682 109.7 19.5 -79.8 -18.2 28.1 6.8 -28.9 219 221 A T S >> S- 0 0 90 1,-0.1 4,-2.0 0, 0.0 3,-1.3 -0.971 86.9-104.0-142.5 157.8 28.5 3.2 -30.3 220 222 A K H 3> S+ 0 0 154 -2,-0.3 4,-1.9 1,-0.3 5,-0.2 0.885 120.6 53.0 -39.9 -52.8 28.8 -0.2 -28.7 221 223 A Q H 3> S+ 0 0 156 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.761 106.8 52.0 -65.3 -25.1 32.5 -0.3 -29.3 222 224 A E H <> S+ 0 0 88 -3,-1.3 4,-3.0 2,-0.2 3,-0.4 0.940 106.4 53.8 -74.1 -46.3 33.1 3.1 -27.6 223 225 A T H X S+ 0 0 4 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.859 108.3 51.2 -49.8 -41.4 31.2 1.8 -24.5 224 226 A L H X S+ 0 0 50 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.826 108.9 49.3 -68.7 -31.7 33.6 -1.2 -24.4 225 227 A A H X S+ 0 0 57 -4,-1.1 4,-2.7 -3,-0.4 5,-0.2 0.956 110.8 51.9 -73.0 -47.5 36.6 1.1 -24.6 226 228 A N H X>S+ 0 0 29 -4,-3.0 5,-2.4 -11,-0.2 4,-0.8 0.926 113.2 43.7 -48.4 -50.4 35.1 3.1 -21.8 227 229 A V H ><5S+ 0 0 0 -4,-2.6 3,-1.7 -12,-0.2 -2,-0.2 0.974 113.1 50.7 -64.2 -51.1 34.6 0.1 -19.7 228 230 A S H 3<5S+ 0 0 27 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.847 117.4 38.7 -56.6 -42.6 38.0 -1.4 -20.4 229 231 A A H 3<5S- 0 0 75 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.490 108.0-123.2 -82.0 -5.7 39.9 1.7 -19.6 230 232 A V T <<5 + 0 0 34 -3,-1.7 2,-1.3 -4,-0.8 -3,-0.2 0.922 44.6 176.9 56.9 44.7 37.6 2.5 -16.6 231 233 A N < + 0 0 99 -5,-2.4 2,-0.3 -6,-0.2 -1,-0.2 -0.656 20.5 129.8 -81.4 89.6 36.8 5.9 -18.2 232 234 A Y - 0 0 48 -2,-1.3 2,-0.3 -3,-0.2 -17,-0.1 -0.984 31.3-171.1-139.6 158.0 34.2 7.6 -15.9 233 235 A E - 0 0 55 -2,-0.3 2,-0.9 -19,-0.3 -2,-0.0 -0.943 28.7-128.2-138.9 156.3 33.7 10.9 -14.2 234 236 A F - 0 0 34 -2,-0.3 2,-0.2 4,-0.0 -2,-0.0 -0.776 37.4-162.7-100.4 89.9 31.3 12.5 -11.6 235 237 A E >> - 0 0 106 -2,-0.9 3,-2.4 1,-0.1 4,-2.3 -0.515 21.3-129.8 -80.0 141.4 30.3 15.5 -13.6 236 238 A D H 3> S+ 0 0 114 1,-0.3 4,-1.4 2,-0.2 5,-0.2 0.828 104.5 69.8 -61.8 -34.5 28.8 18.4 -11.6 237 239 A E H 34 S+ 0 0 120 1,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.788 120.5 20.3 -48.7 -24.5 25.8 18.7 -13.9 238 240 A Y H <4 S+ 0 0 60 -3,-2.4 -2,-0.2 55,-0.0 3,-0.2 0.770 133.1 33.4-113.8 -36.4 24.8 15.3 -12.4 239 241 A F H >< S+ 0 0 0 -4,-2.3 3,-1.1 1,-0.1 -3,-0.2 0.121 74.6 111.2-116.0 14.2 26.6 14.7 -9.1 240 242 A S T 3< S+ 0 0 88 -4,-1.4 -1,-0.1 1,-0.3 -4,-0.1 0.771 85.2 43.5 -73.7 -27.4 26.9 18.1 -7.4 241 243 A N T 3 S+ 0 0 93 -3,-0.2 47,-0.8 -5,-0.2 2,-0.4 -0.315 92.4 108.8-101.5 49.4 24.4 17.3 -4.6 242 244 A T S < S- 0 0 12 -3,-1.1 47,-0.1 45,-0.1 42,-0.1 -0.983 70.0-116.9-124.3 131.6 25.8 13.8 -4.0 243 245 A S > - 0 0 14 -2,-0.4 4,-1.8 40,-0.1 5,-0.1 -0.108 16.7-115.5 -72.0 166.9 27.8 13.2 -0.8 244 246 A A H > S+ 0 0 78 2,-0.2 4,-1.6 1,-0.2 -1,-0.1 0.763 114.9 55.5 -63.3 -32.8 31.5 12.2 -0.5 245 247 A L H > S+ 0 0 31 2,-0.2 4,-2.3 1,-0.2 27,-0.3 0.876 105.8 49.0 -74.7 -41.0 30.5 8.8 1.0 246 248 A A H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.926 111.6 50.9 -60.7 -45.2 28.3 7.9 -1.9 247 249 A K H X S+ 0 0 48 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.878 109.9 49.8 -58.8 -39.0 31.2 8.8 -4.3 248 250 A D H X S+ 0 0 39 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.935 107.1 54.8 -68.8 -48.3 33.6 6.7 -2.3 249 251 A F H >X S+ 0 0 0 -4,-2.3 4,-0.8 2,-0.2 3,-0.6 0.953 111.5 43.6 -37.1 -65.1 31.3 3.7 -2.4 250 252 A I H >X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 3,-1.2 0.916 110.9 56.0 -58.3 -42.2 31.0 3.8 -6.2 251 253 A R H 3< S+ 0 0 117 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.788 103.8 52.5 -61.2 -35.0 34.8 4.4 -6.6 252 254 A R H << S+ 0 0 126 -4,-2.1 10,-2.3 -3,-0.6 -1,-0.3 0.609 114.6 43.7 -77.6 -12.2 35.7 1.2 -4.6 253 255 A L H << S+ 0 0 0 -3,-1.2 2,-1.6 -4,-0.8 -2,-0.2 0.780 101.4 66.6 -96.4 -38.1 33.4 -0.9 -6.8 254 256 A L S < S+ 0 0 5 -4,-2.6 2,-0.4 -5,-0.2 -1,-0.2 -0.591 75.4 131.9 -84.9 77.1 34.4 0.6 -10.2 255 257 A V - 0 0 39 -2,-1.6 6,-0.1 -3,-0.1 -25,-0.1 -0.997 54.5-141.3-139.6 130.0 38.0 -0.7 -10.1 256 258 A K S S+ 0 0 96 -2,-0.4 -71,-0.2 -27,-0.1 -1,-0.1 0.919 86.5 69.1 -62.1 -52.6 39.9 -2.6 -12.9 257 259 A D S > S- 0 0 85 1,-0.2 3,-1.3 3,-0.1 4,-0.4 -0.598 71.6-155.9 -71.1 114.8 41.8 -5.2 -10.9 258 260 A P G > S+ 0 0 33 0, 0.0 3,-1.6 0, 0.0 -1,-0.2 0.895 91.0 59.8 -62.0 -41.3 39.0 -7.6 -9.6 259 261 A K G 3 S+ 0 0 89 1,-0.3 4,-0.1 -3,-0.1 -2,-0.1 0.723 110.7 44.7 -56.7 -18.5 41.2 -8.7 -6.5 260 262 A K G < S+ 0 0 141 -3,-1.3 -1,-0.3 2,-0.1 2,-0.2 0.405 90.9 102.8-107.5 -1.1 41.2 -5.0 -5.4 261 263 A R S < S- 0 0 9 -3,-1.6 -8,-0.2 -4,-0.4 -9,-0.1 -0.506 87.2 -90.4 -78.9 150.7 37.6 -4.3 -6.0 262 264 A M - 0 0 20 -10,-2.3 -1,-0.1 -2,-0.2 2,-0.1 -0.397 40.5-133.7 -62.2 139.4 35.3 -4.3 -2.9 263 265 A T > - 0 0 61 -4,-0.1 4,-2.0 1,-0.1 5,-0.1 -0.363 24.9-105.9 -80.1 168.7 33.7 -7.6 -1.9 264 266 A I H > S+ 0 0 2 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.907 123.0 50.0 -62.5 -42.5 30.0 -8.0 -1.0 265 267 A Q H > S+ 0 0 93 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.901 109.5 51.8 -57.5 -45.6 30.9 -8.4 2.8 266 268 A D H >> S+ 0 0 87 1,-0.2 3,-0.7 2,-0.2 4,-0.5 0.891 108.1 51.8 -61.4 -38.4 33.0 -5.2 2.5 267 269 A S H >< S+ 0 0 0 -4,-2.0 3,-0.8 1,-0.2 6,-0.2 0.849 100.3 58.6 -76.1 -35.9 30.2 -3.3 1.0 268 270 A L H 3< S+ 0 0 29 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.730 113.1 45.3 -54.5 -21.8 27.6 -4.1 3.7 269 271 A Q H << S+ 0 0 98 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.2 0.485 82.1 121.1 -95.6 -17.0 30.1 -2.5 6.0 270 272 A H S XX S- 0 0 5 -3,-0.8 4,-3.3 -4,-0.5 3,-1.1 -0.225 72.9-121.3 -55.3 141.9 30.9 0.6 4.0 271 273 A P T 34 S+ 0 0 17 0, 0.0 6,-0.2 0, 0.0 -1,-0.1 0.717 111.8 59.8 -64.8 -16.7 30.1 3.8 6.0 272 274 A W T 34 S+ 0 0 1 -27,-0.3 -26,-0.1 2,-0.1 -157,-0.1 0.854 116.4 33.7 -66.6 -36.7 27.7 5.0 3.2 273 275 A I T <4 S+ 0 0 7 -3,-1.1 -1,-0.1 1,-0.3 -5,-0.1 0.880 135.8 25.2 -88.4 -43.0 25.7 1.8 3.8 274 276 A K S < S- 0 0 115 -4,-3.3 -1,-0.3 -5,-0.1 -2,-0.1 -0.822 85.5-147.9-124.8 84.8 26.3 1.5 7.6 275 277 A P - 0 0 35 0, 0.0 -3,-0.1 0, 0.0 3,-0.1 -0.212 3.7-156.4 -50.8 140.7 27.1 5.0 9.1 276 278 A K + 0 0 152 1,-0.1 2,-0.3 -5,-0.1 -4,-0.0 0.462 68.0 0.0 -98.8 -5.4 29.6 4.9 12.0 277 279 A D S > S- 0 0 72 -6,-0.2 4,-2.2 1,-0.0 3,-0.2 -0.970 84.6 -79.1-174.2 174.8 28.5 8.3 13.6 278 280 A T H > S+ 0 0 101 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 0.767 118.8 55.0 -66.9 -33.1 26.3 11.3 13.5 279 281 A Q H > S+ 0 0 133 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.901 111.2 46.0 -66.7 -44.4 28.3 13.3 10.7 280 282 A Q H > S+ 0 0 44 -3,-0.2 4,-0.8 2,-0.2 -2,-0.2 0.917 115.2 45.2 -65.6 -47.1 28.0 10.4 8.3 281 283 A A H X S+ 0 0 36 -4,-2.2 4,-1.2 2,-0.2 -2,-0.2 0.828 111.8 55.8 -68.1 -29.1 24.2 9.7 9.0 282 284 A L H >X S+ 0 0 117 -4,-1.8 4,-2.7 2,-0.2 3,-1.2 0.990 106.4 45.4 -59.2 -65.8 23.5 13.5 8.7 283 285 A S H 3X S+ 0 0 45 -4,-1.9 4,-0.9 1,-0.3 -1,-0.2 0.590 109.4 58.0 -66.4 -12.2 25.0 14.1 5.3 284 286 A R H 3< S+ 0 0 22 -4,-0.8 -172,-1.1 2,-0.2 -173,-0.4 0.779 110.7 41.1 -83.2 -33.3 23.2 11.0 4.0 285 287 A K H << S+ 0 0 86 -3,-1.2 -2,-0.2 -4,-1.2 -3,-0.1 0.856 115.5 54.1 -71.5 -36.4 19.8 12.4 5.1 286 288 A A H < S+ 0 0 74 -4,-2.7 2,-0.2 -5,-0.1 -2,-0.2 0.787 95.9 81.8 -71.8 -28.2 20.9 15.8 3.8 287 289 A S < - 0 0 10 -4,-0.9 -176,-2.8 -5,-0.2 -175,-0.4 -0.550 64.1-156.2 -86.4 142.8 21.8 14.5 0.3 288 290 A A B -J 110 0D 33 -47,-0.8 -178,-0.2 -178,-0.3 2,-0.2 -0.853 20.1-115.0-117.4 147.6 19.3 14.0 -2.5 289 291 A V - 0 0 8 -180,-2.7 2,-1.6 -2,-0.3 -180,-0.3 -0.506 43.9-105.5 -65.1 145.9 19.1 11.9 -5.6 290 292 A N > + 0 0 39 -81,-1.5 4,-2.6 1,-0.2 5,-0.2 -0.612 47.7 179.0 -79.9 89.5 19.1 14.0 -8.7 291 293 A M H > + 0 0 19 -2,-1.6 4,-2.8 1,-0.2 5,-0.2 0.882 69.0 54.7 -70.8 -45.1 15.4 13.5 -9.4 292 294 A E H > S+ 0 0 103 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.923 118.3 37.4 -51.4 -48.5 14.8 15.7 -12.5 293 295 A K H > S+ 0 0 41 2,-0.2 4,-1.7 1,-0.2 3,-0.3 0.885 113.8 55.8 -70.8 -45.2 17.7 13.8 -14.4 294 296 A F H X S+ 0 0 2 -4,-2.6 4,-1.8 1,-0.2 3,-0.3 0.927 103.6 54.6 -54.6 -47.4 16.9 10.4 -12.9 295 297 A K H < S+ 0 0 75 -4,-2.8 4,-0.4 1,-0.2 -1,-0.2 0.852 105.3 54.7 -55.2 -36.1 13.3 10.6 -14.1 296 298 A K H >X S+ 0 0 122 -4,-0.9 4,-1.0 -3,-0.3 3,-0.7 0.893 104.4 53.6 -68.9 -37.3 14.6 11.2 -17.6 297 299 A F H >< S+ 0 0 26 -4,-1.7 3,-0.6 -3,-0.3 -2,-0.2 0.896 109.2 46.5 -62.8 -43.5 16.7 8.0 -17.5 298 300 A A T 3< S+ 0 0 25 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.538 109.8 60.0 -77.9 -3.2 13.7 5.8 -16.6 299 301 A A T <4 0 0 80 -3,-0.7 -1,-0.2 -4,-0.4 -2,-0.2 0.709 360.0 360.0 -90.7 -24.9 11.9 7.6 -19.4 300 302 A R << 0 0 177 -4,-1.0 -3,-0.0 -3,-0.6 -4,-0.0 -0.260 360.0 360.0 -60.5 360.0 14.1 6.6 -22.3