==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 26-DEC-00 1HHQ . COMPND 2 MOLECULE: NUCLEOSIDE DIPHOSPHATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: DICTYOSTELIUM DISCOIDEUM; . AUTHOR B.SCHNEIDER,M.BABOLAT,Y.W.XU,J.JANIN,M.VERON,D.DEVILLE-BONNE . 150 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8232.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 95 63.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 14.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 0.7 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 . 1 0.7 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 . 4 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 42 28.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.3 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 0 2 0 1 1 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 1 0 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 6 A V > 0 0 135 0, 0.0 3,-0.9 0, 0.0 80,-0.5 0.000 360.0 360.0 360.0 145.0 -27.6 45.9 -8.5 2 7 A N T 3 + 0 0 56 1,-0.2 78,-0.2 78,-0.2 147,-0.0 0.322 360.0 77.5 -84.3 8.4 -28.4 44.3 -11.8 3 8 A K T 3 + 0 0 99 75,-0.1 -1,-0.2 76,-0.1 77,-0.1 0.263 62.6 129.8-101.3 9.8 -24.8 44.7 -12.8 4 9 A E < - 0 0 50 -3,-0.9 75,-2.8 75,-0.1 2,-0.3 -0.298 40.6-161.3 -61.6 149.8 -23.5 41.8 -10.7 5 10 A R E -A 78 0A 55 73,-0.2 2,-0.3 117,-0.1 73,-0.2 -0.954 11.0-168.6-135.7 154.2 -21.3 39.4 -12.6 6 11 A T E -A 77 0A 0 71,-1.8 71,-1.6 -2,-0.3 2,-0.5 -0.959 21.7-122.0-139.4 157.8 -20.0 35.8 -12.1 7 12 A F E -A 76 0A 0 -2,-0.3 112,-1.9 69,-0.2 2,-0.4 -0.887 27.0-176.5-104.5 130.3 -17.4 33.6 -13.7 8 13 A L E -AB 75 118A 0 67,-2.6 67,-2.9 -2,-0.5 2,-0.4 -0.981 3.5-172.1-125.7 137.4 -18.4 30.3 -15.3 9 14 A A E -AB 74 117A 3 108,-2.3 108,-2.3 -2,-0.4 2,-0.8 -0.986 17.4-147.6-134.2 123.4 -16.1 27.7 -16.8 10 15 A V E -AB 73 116A 0 63,-2.4 63,-1.6 -2,-0.4 106,-0.3 -0.820 32.0-135.2 -86.8 115.0 -17.2 24.7 -18.8 11 16 A A >> - 0 0 13 104,-2.1 4,-2.0 -2,-0.8 3,-1.0 -0.152 27.7 -92.0 -68.0 165.7 -14.4 22.1 -17.9 12 17 A P H 3> S+ 0 0 10 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.798 126.9 55.3 -48.6 -33.7 -12.7 19.9 -20.5 13 18 A D H 3> S+ 0 0 16 2,-0.2 4,-1.5 1,-0.2 6,-0.1 0.875 106.9 49.1 -70.4 -35.8 -15.3 17.2 -19.9 14 19 A G H <4>S+ 0 0 0 -3,-1.0 5,-2.1 101,-0.4 6,-0.3 0.908 114.7 45.1 -68.0 -40.8 -18.2 19.5 -20.6 15 20 A V H ><5S+ 0 0 26 -4,-2.0 3,-2.1 56,-0.3 5,-0.2 0.955 111.4 52.2 -65.6 -50.7 -16.6 20.7 -23.8 16 21 A A H 3<5S+ 0 0 87 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.804 108.7 51.6 -56.7 -31.1 -15.7 17.1 -24.9 17 22 A R T 3<5S- 0 0 134 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.394 115.0-115.1 -90.2 5.7 -19.3 16.0 -24.4 18 23 A G T < 5S+ 0 0 64 -3,-2.1 4,-0.2 -4,-0.1 -3,-0.2 0.926 74.2 130.1 64.1 49.1 -20.6 18.8 -26.5 19 24 A L >< + 0 0 16 -5,-2.1 4,-2.3 2,-0.1 5,-0.2 0.336 36.0 98.3-114.2 5.6 -22.5 20.7 -23.8 20 25 A V H > S+ 0 0 35 -6,-0.3 4,-2.8 -5,-0.2 5,-0.2 0.960 87.0 41.4 -59.3 -57.1 -21.3 24.2 -24.4 21 26 A G H > S+ 0 0 51 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.885 114.9 52.9 -59.3 -40.0 -24.2 25.6 -26.4 22 27 A E H > S+ 0 0 81 2,-0.2 4,-1.2 -4,-0.2 -1,-0.2 0.901 111.8 45.8 -62.3 -41.6 -26.7 23.8 -24.2 23 28 A I H X S+ 0 0 0 -4,-2.3 4,-1.4 2,-0.2 3,-0.3 0.931 113.9 46.8 -69.0 -45.8 -25.1 25.4 -21.1 24 29 A I H X S+ 0 0 22 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.909 107.3 59.3 -62.1 -40.6 -24.9 28.9 -22.6 25 30 A A H X S+ 0 0 26 -4,-2.7 4,-2.4 -5,-0.2 -1,-0.2 0.844 100.8 55.9 -57.0 -36.7 -28.5 28.6 -23.8 26 31 A R H X S+ 0 0 47 -4,-1.2 4,-1.5 -3,-0.3 -1,-0.2 0.936 110.9 41.8 -64.4 -45.5 -29.7 28.0 -20.2 27 32 A Y H X>S+ 0 0 0 -4,-1.4 5,-1.7 2,-0.2 4,-0.8 0.818 113.3 54.4 -72.2 -28.8 -28.2 31.3 -18.9 28 33 A E H ><5S+ 0 0 118 -4,-2.2 3,-0.9 1,-0.2 -2,-0.2 0.941 109.1 47.5 -67.4 -47.1 -29.3 33.2 -22.0 29 34 A K H 3<5S+ 0 0 166 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.833 104.4 61.0 -62.1 -34.8 -32.9 32.0 -21.5 30 35 A K H 3<5S- 0 0 117 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.781 120.6-109.8 -64.1 -25.5 -32.7 33.0 -17.8 31 36 A G T <<5S+ 0 0 15 -3,-0.9 114,-0.3 -4,-0.8 -3,-0.2 0.402 70.1 140.5 110.7 -0.9 -32.1 36.6 -19.0 32 37 A F < - 0 0 16 -5,-1.7 2,-0.5 112,-0.1 -1,-0.3 -0.480 47.6-127.1 -75.6 146.9 -28.4 36.9 -18.0 33 38 A V E -C 78 0A 33 45,-2.4 45,-2.5 -2,-0.1 2,-0.5 -0.827 12.6-125.0-102.7 130.5 -26.1 38.8 -20.4 34 39 A L E +C 77 0A 49 -2,-0.5 43,-0.2 43,-0.2 3,-0.1 -0.569 33.9 168.5 -71.0 118.9 -22.9 37.4 -21.8 35 40 A V E + 0 0 4 41,-3.5 104,-2.4 -2,-0.5 2,-0.3 0.587 66.8 16.5-107.2 -17.8 -20.1 39.9 -21.0 36 41 A G E +C 76 0A 4 40,-1.4 40,-2.1 102,-0.2 -1,-0.3 -0.981 63.5 170.4-155.2 145.7 -17.1 37.8 -21.8 37 42 A L E +C 75 0A 85 100,-0.3 2,-0.3 -2,-0.3 38,-0.2 -0.932 10.3 137.8-162.1 135.6 -16.5 34.5 -23.7 38 43 A K E -C 74 0A 52 36,-1.8 36,-3.3 -2,-0.3 2,-0.4 -0.911 36.4-130.3-175.2 147.4 -13.6 32.5 -25.0 39 44 A Q E +C 73 0A 126 -2,-0.3 2,-0.3 34,-0.3 34,-0.2 -0.827 40.7 146.9-102.3 144.9 -12.3 29.0 -25.4 40 45 A L E -C 72 0A 46 32,-2.7 32,-3.7 -2,-0.4 30,-0.1 -0.981 50.6-114.2-167.5 164.6 -8.7 28.2 -24.3 41 46 A V - 0 0 91 -2,-0.3 27,-0.1 30,-0.3 26,-0.0 -0.941 45.9-130.2-109.6 105.2 -6.5 25.5 -22.8 42 47 A P - 0 0 5 0, 0.0 2,-0.1 0, 0.0 28,-0.1 -0.198 12.5-125.2 -59.3 145.4 -5.4 26.9 -19.4 43 48 A T > - 0 0 89 1,-0.1 4,-2.7 4,-0.0 5,-0.2 -0.483 26.4-110.8 -84.4 160.7 -1.8 27.0 -18.2 44 49 A K H > S+ 0 0 131 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.880 119.4 58.2 -58.8 -37.8 -0.8 25.4 -14.9 45 50 A D H > S+ 0 0 119 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.937 109.1 41.4 -56.9 -52.0 -0.2 28.9 -13.6 46 51 A L H > S+ 0 0 23 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.923 115.0 53.0 -63.6 -43.5 -3.8 30.0 -14.3 47 52 A A H X S+ 0 0 1 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.877 106.4 51.6 -60.6 -40.8 -5.1 26.6 -13.0 48 53 A E H < S+ 0 0 79 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.894 112.8 44.8 -66.3 -38.0 -3.2 26.8 -9.7 49 54 A S H >< S+ 0 0 52 -4,-1.6 3,-1.3 -5,-0.2 4,-0.3 0.902 109.5 55.5 -71.2 -41.9 -4.5 30.3 -8.9 50 55 A H H 3< S+ 0 0 3 -4,-2.4 3,-0.3 1,-0.3 -1,-0.2 0.895 117.7 35.5 -57.3 -41.1 -8.1 29.4 -9.9 51 56 A Y T >< S+ 0 0 32 -4,-1.8 3,-2.8 1,-0.2 4,-0.4 0.210 78.3 125.8 -98.5 13.3 -8.1 26.5 -7.4 52 57 A A G X + 0 0 24 -3,-1.3 3,-1.9 1,-0.3 4,-0.2 0.806 64.4 68.0 -39.2 -41.1 -6.0 28.3 -4.8 53 58 A E G 3 S+ 0 0 100 -3,-0.3 -1,-0.3 1,-0.3 3,-0.3 0.740 104.8 39.9 -56.0 -28.2 -8.7 27.5 -2.2 54 59 A H G X S+ 0 0 46 -3,-2.8 3,-2.4 1,-0.2 6,-0.4 0.319 79.6 113.0-104.3 8.7 -8.0 23.8 -2.3 55 60 A K T < S+ 0 0 111 -3,-1.9 -1,-0.2 -4,-0.4 -2,-0.1 0.689 75.4 54.4 -56.7 -19.5 -4.2 24.0 -2.5 56 61 A E T 3 S+ 0 0 139 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.570 96.2 85.0 -88.9 -9.9 -3.8 22.4 0.9 57 62 A R S X S- 0 0 153 -3,-2.4 3,-1.4 1,-0.1 4,-0.4 -0.677 81.3-129.5 -93.5 147.3 -5.9 19.4 -0.1 58 63 A P T > S+ 0 0 129 0, 0.0 3,-0.7 0, 0.0 4,-0.4 0.764 106.6 61.3 -65.2 -27.1 -4.5 16.4 -1.9 59 64 A F T 3> S+ 0 0 107 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.547 81.2 87.8 -78.0 -5.3 -7.2 16.5 -4.6 60 65 A F H <> S+ 0 0 32 -3,-1.4 4,-2.3 -6,-0.4 5,-0.2 0.930 84.7 52.8 -57.6 -46.3 -5.9 19.9 -5.6 61 66 A G H <> S+ 0 0 42 -3,-0.7 4,-2.2 -4,-0.4 -1,-0.2 0.868 106.2 52.5 -58.8 -38.3 -3.3 18.4 -7.9 62 67 A G H > S+ 0 0 48 -4,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.864 108.6 51.5 -65.9 -36.0 -6.0 16.3 -9.7 63 68 A L H X S+ 0 0 46 -4,-1.7 4,-2.4 -3,-0.2 5,-0.3 0.967 111.6 45.1 -63.0 -55.0 -8.0 19.5 -10.3 64 69 A V H X S+ 0 0 9 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.876 112.5 52.8 -57.1 -41.0 -5.1 21.4 -11.8 65 70 A S H < S+ 0 0 79 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.931 112.6 42.9 -62.6 -48.1 -4.1 18.5 -13.9 66 71 A F H >< S+ 0 0 39 -4,-2.1 3,-1.9 1,-0.2 4,-0.4 0.913 108.5 54.9 -68.0 -46.4 -7.6 18.0 -15.5 67 72 A I H >< S+ 0 0 5 -4,-2.4 3,-0.5 1,-0.3 -1,-0.2 0.825 113.1 45.2 -58.9 -30.4 -8.5 21.6 -16.1 68 73 A T T 3< S+ 0 0 40 -4,-1.2 -1,-0.3 -5,-0.3 -2,-0.2 0.399 92.7 84.7 -93.3 3.7 -5.3 21.9 -18.1 69 74 A S T < S- 0 0 80 -3,-1.9 -1,-0.2 -4,-0.1 -2,-0.2 0.605 103.3 -8.9 -81.9 -11.0 -5.8 18.7 -19.9 70 75 A G S < S- 0 0 11 -3,-0.5 -57,-0.1 -4,-0.4 -30,-0.1 -0.959 95.3 -42.1-166.5-176.4 -8.0 20.1 -22.6 71 76 A P - 0 0 51 0, 0.0 2,-0.4 0, 0.0 -56,-0.3 -0.279 46.1-163.1 -64.4 145.3 -10.0 23.1 -23.9 72 77 A V E - C 0 40A 0 -32,-3.7 -32,-2.7 -57,-0.1 2,-0.7 -0.965 13.7-141.1-127.1 140.7 -12.0 25.1 -21.5 73 78 A V E -AC 10 39A 11 -63,-1.6 -63,-2.4 -2,-0.4 2,-0.4 -0.928 22.5-162.1-105.8 111.5 -14.8 27.6 -22.4 74 79 A A E +AC 9 38A 0 -36,-3.3 -36,-1.8 -2,-0.7 2,-0.3 -0.794 13.8 174.1 -96.6 134.5 -14.6 30.6 -20.1 75 80 A M E -AC 8 37A 0 -67,-2.9 -67,-2.6 -2,-0.4 2,-0.4 -0.969 25.1-154.4-141.9 156.5 -17.5 33.0 -19.7 76 81 A V E -AC 7 36A 0 -40,-2.1 -41,-3.5 -2,-0.3 -40,-1.4 -0.997 16.5-169.0-129.6 124.9 -18.7 36.0 -17.7 77 82 A F E -AC 6 34A 0 -71,-1.6 -71,-1.8 -2,-0.4 2,-0.4 -0.904 6.4-151.6-116.2 145.9 -22.5 36.6 -17.3 78 83 A E E +AC 5 33A 9 -45,-2.5 -45,-2.4 -2,-0.4 2,-0.3 -0.919 37.1 95.3-119.5 143.3 -24.1 39.8 -15.9 79 84 A G S > S- 0 0 2 -75,-2.8 3,-1.4 -2,-0.4 2,-0.3 -0.890 71.4 -46.5 160.4 170.7 -27.4 40.2 -14.1 80 85 A K T 3 S- 0 0 118 1,-0.3 -78,-0.2 -2,-0.3 5,-0.1 -0.474 119.8 -11.6 -68.1 124.8 -29.2 40.5 -10.8 81 86 A G T 3> S+ 0 0 27 -80,-0.5 4,-2.5 -2,-0.3 -1,-0.3 0.752 86.9 150.5 57.5 28.6 -28.1 37.9 -8.3 82 87 A V H <> + 0 0 0 -3,-1.4 4,-3.2 1,-0.2 5,-0.2 0.830 61.4 59.1 -61.5 -35.0 -26.3 36.1 -11.0 83 88 A V H > S+ 0 0 7 -4,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.964 115.6 32.9 -60.5 -53.2 -23.6 34.6 -8.7 84 89 A A H > S+ 0 0 73 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.883 119.9 53.6 -70.1 -38.7 -26.1 32.7 -6.5 85 90 A S H X S+ 0 0 22 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.925 106.0 51.7 -61.4 -47.2 -28.5 32.1 -9.4 86 91 A A H X S+ 0 0 0 -4,-3.2 4,-1.3 1,-0.2 -1,-0.2 0.855 109.0 51.4 -59.7 -36.7 -25.8 30.5 -11.5 87 92 A R H X S+ 0 0 106 -4,-1.3 4,-2.2 -5,-0.2 -1,-0.2 0.875 108.0 51.4 -68.1 -40.1 -24.9 28.1 -8.7 88 93 A L H < S+ 0 0 143 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.898 110.1 49.8 -63.4 -40.6 -28.5 27.1 -8.2 89 94 A M H < S+ 0 0 35 -4,-2.1 14,-2.8 1,-0.2 -1,-0.2 0.792 110.6 51.1 -69.3 -28.0 -28.8 26.4 -12.0 90 95 A I H < S- 0 0 5 -4,-1.3 14,-2.4 1,-0.3 15,-0.4 0.893 102.1-143.3 -75.4 -43.1 -25.6 24.3 -11.8 91 96 A G < - 0 0 21 -4,-2.2 -1,-0.3 12,-0.1 2,-0.2 -0.883 33.5 -40.9 115.1-148.1 -26.7 22.1 -8.9 92 97 A V - 0 0 78 -2,-0.3 6,-0.2 2,-0.3 5,-0.1 -0.665 60.3 -90.5-116.4 172.9 -24.5 20.8 -6.1 93 98 A T S S+ 0 0 95 -2,-0.2 3,-0.1 1,-0.1 5,-0.1 0.868 114.7 59.8 -47.8 -47.6 -21.0 19.3 -5.8 94 99 A N S > S- 0 0 66 1,-0.2 3,-1.3 18,-0.0 4,-0.4 -0.785 73.2-158.0 -89.1 111.2 -22.1 15.7 -6.3 95 100 A P G > S+ 0 0 3 0, 0.0 3,-0.9 0, 0.0 13,-0.2 0.820 91.8 59.8 -56.7 -33.3 -23.9 15.5 -9.7 96 101 A L G 3 S+ 0 0 120 1,-0.2 -3,-0.0 13,-0.2 13,-0.0 0.788 107.8 44.9 -67.3 -26.9 -25.8 12.4 -8.6 97 102 A A G < S+ 0 0 72 -3,-1.3 -1,-0.2 -5,-0.1 2,-0.2 0.405 91.3 108.5 -96.0 0.5 -27.4 14.4 -5.8 98 103 A S S < S- 0 0 10 -3,-0.9 3,-0.1 -4,-0.4 -7,-0.1 -0.558 77.4-105.8 -79.5 144.0 -28.2 17.4 -8.0 99 104 A A > - 0 0 64 -2,-0.2 3,-2.2 1,-0.1 6,-0.3 -0.366 34.2-101.5 -72.2 143.5 -31.8 17.9 -8.9 100 105 A P T 3 S+ 0 0 119 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.418 112.5 45.3 -59.7 136.2 -33.2 17.1 -12.3 101 106 A G T 3 S+ 0 0 52 1,-0.6 2,-0.1 2,-0.1 -2,-0.1 -0.074 92.8 96.1 116.9 -34.1 -33.4 20.5 -14.1 102 107 A S S <> S- 0 0 10 -3,-2.2 4,-2.2 1,-0.1 -1,-0.6 -0.492 87.1-110.5 -85.0 160.9 -30.0 21.7 -13.0 103 108 A I H > S+ 0 0 0 -14,-2.8 4,-2.4 1,-0.2 5,-0.3 0.950 117.0 36.7 -57.8 -55.4 -27.0 21.3 -15.3 104 109 A R H > S+ 0 0 19 -14,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.837 114.5 58.1 -68.2 -31.6 -25.1 18.6 -13.3 105 110 A G H 4 S+ 0 0 24 -15,-0.4 -1,-0.2 -6,-0.3 -2,-0.2 0.872 114.3 37.4 -65.1 -36.1 -28.4 17.0 -12.3 106 111 A D H < S+ 0 0 70 -4,-2.2 -2,-0.2 -7,-0.2 -1,-0.2 0.828 134.9 17.9 -83.9 -33.7 -29.2 16.5 -16.0 107 112 A F H < S+ 0 0 51 -4,-2.4 2,-0.3 -5,-0.2 -3,-0.2 0.542 103.2 80.3-120.2 -7.3 -25.8 15.7 -17.3 108 113 A G < + 0 0 9 -4,-2.5 6,-0.1 -5,-0.3 -10,-0.1 -0.748 25.9 163.3-112.5 157.8 -23.3 14.6 -14.6 109 114 A V + 0 0 102 4,-0.5 2,-0.4 -2,-0.3 -13,-0.2 0.461 65.4 58.6-137.3 -16.5 -22.5 11.5 -12.6 110 115 A D B > -D 113 0B 97 3,-0.6 3,-1.4 1,-0.1 -1,-0.2 -0.974 62.4-143.5-128.7 137.5 -19.1 12.0 -11.0 111 116 A V T > S+ 0 0 68 -2,-0.4 3,-0.6 1,-0.3 -1,-0.1 0.890 106.1 55.4 -58.1 -42.0 -17.7 14.6 -8.7 112 117 A G T 3 S+ 0 0 43 1,-0.3 -1,-0.3 -3,-0.1 2,-0.1 0.540 116.4 37.6 -70.5 -8.3 -14.4 14.5 -10.5 113 118 A R B < S+D 110 0B 122 -3,-1.4 -3,-0.6 -100,-0.0 -4,-0.5 -0.560 70.4 149.2-139.7 69.1 -16.1 15.3 -13.8 114 119 A N < - 0 0 41 -3,-0.6 2,-3.1 -6,-0.1 -6,-0.1 -0.044 49.3-132.4-101.2 35.6 -18.9 17.7 -12.9 115 120 A I S S+ 0 0 0 -8,-0.1 -104,-2.1 -105,-0.1 -101,-0.4 -0.171 71.7 30.4 59.8 -54.6 -19.0 19.6 -16.2 116 121 A I E -B 10 0A 1 -2,-3.1 2,-0.4 -106,-0.3 -106,-0.2 -0.971 56.3-151.3-142.6 153.9 -19.0 23.3 -15.1 117 122 A H E -B 9 0A 39 -108,-2.3 -108,-2.3 -2,-0.3 2,-0.4 -0.960 12.0-172.9-124.2 143.5 -17.7 25.6 -12.3 118 123 A G E -B 8 0A 1 -2,-0.4 -110,-0.2 -110,-0.2 7,-0.0 -0.995 36.6 -96.1-135.8 141.2 -19.3 28.8 -11.1 119 124 A S - 0 0 0 -112,-1.9 -32,-0.1 -2,-0.4 6,-0.1 -0.222 26.7-148.1 -52.8 139.9 -18.0 31.4 -8.7 120 125 A D S S+ 0 0 73 1,-0.1 2,-0.3 -33,-0.0 -1,-0.1 0.505 73.7 13.9 -92.8 -0.6 -19.3 30.8 -5.2 121 126 A S S > S- 0 0 31 1,-0.1 4,-2.8 -38,-0.0 5,-0.1 -0.984 76.3-105.9-162.2 166.1 -19.4 34.5 -4.2 122 127 A V H > S+ 0 0 53 -2,-0.3 4,-3.1 2,-0.2 5,-0.2 0.929 122.1 48.1 -63.5 -44.7 -19.1 38.0 -5.4 123 128 A E H > S+ 0 0 135 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.927 114.8 45.6 -61.4 -45.7 -15.6 38.3 -4.0 124 129 A S H > S+ 0 0 28 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.888 113.0 51.2 -63.9 -39.7 -14.6 35.0 -5.6 125 130 A A H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.924 108.2 51.5 -62.8 -46.4 -16.3 36.1 -8.9 126 131 A N H X S+ 0 0 100 -4,-3.1 4,-1.5 1,-0.2 -1,-0.2 0.909 113.2 45.7 -57.1 -44.4 -14.4 39.4 -8.9 127 132 A R H X S+ 0 0 101 -4,-2.1 4,-0.9 -5,-0.2 -2,-0.2 0.937 113.0 47.7 -65.6 -49.4 -11.1 37.5 -8.4 128 133 A E H X S+ 0 0 1 -4,-2.7 4,-2.6 1,-0.2 5,-0.3 0.879 108.3 54.9 -62.4 -39.4 -11.8 34.8 -11.0 129 134 A I H X S+ 0 0 15 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.928 110.0 45.6 -60.5 -46.6 -12.9 37.3 -13.7 130 135 A A H < S+ 0 0 81 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.678 112.8 55.0 -70.7 -17.0 -9.7 39.3 -13.4 131 136 A L H < S+ 0 0 52 -4,-0.9 -2,-0.2 -3,-0.3 -1,-0.2 0.930 119.6 26.7 -80.1 -48.1 -7.8 36.0 -13.5 132 137 A W H < S+ 0 0 8 -4,-2.6 2,-0.3 -5,-0.1 -2,-0.2 0.733 120.6 49.2 -88.9 -26.6 -9.3 34.6 -16.7 133 138 A F < - 0 0 10 -4,-2.8 -1,-0.0 -5,-0.3 -97,-0.0 -0.874 67.4-136.4-121.3 151.1 -10.1 37.8 -18.6 134 139 A K > - 0 0 133 -2,-0.3 3,-2.4 1,-0.1 4,-0.3 -0.752 36.4-113.2 -94.2 147.3 -8.3 41.1 -19.5 135 140 A P G > S+ 0 0 101 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.860 116.5 59.7 -50.3 -38.7 -10.5 44.1 -19.0 136 141 A E G 3 S+ 0 0 145 1,-0.3 4,-0.1 4,-0.0 -3,-0.0 0.620 97.1 62.0 -65.9 -13.8 -10.6 44.8 -22.7 137 142 A E G < S+ 0 0 91 -3,-2.4 2,-0.4 2,-0.1 -100,-0.3 0.490 91.5 83.1 -90.0 -4.6 -12.1 41.4 -23.3 138 143 A L S < S- 0 0 27 -3,-1.8 -102,-0.2 -4,-0.3 2,-0.1 -0.801 87.6-108.9-104.7 143.2 -15.2 42.3 -21.3 139 144 A L - 0 0 92 -104,-2.4 3,-0.1 -2,-0.4 -2,-0.1 -0.458 27.8-164.4 -66.0 135.1 -18.3 44.2 -22.6 140 145 A T S S+ 0 0 119 1,-0.3 2,-0.6 -2,-0.1 -1,-0.2 0.943 74.3 41.7 -87.1 -60.4 -18.3 47.7 -21.1 141 146 A E S S- 0 0 163 2,-0.0 2,-0.4 0, 0.0 -1,-0.3 -0.813 75.7-173.6 -93.4 121.9 -21.9 48.9 -21.7 142 147 A V - 0 0 9 -2,-0.6 -107,-0.0 -3,-0.1 -109,-0.0 -0.928 12.0-177.5-119.0 140.8 -24.4 46.1 -21.1 143 148 A K - 0 0 168 -2,-0.4 -2,-0.0 0, 0.0 0, 0.0 -0.858 11.5-157.6-141.0 102.9 -28.2 46.2 -21.8 144 149 A P - 0 0 35 0, 0.0 -112,-0.1 0, 0.0 5,-0.0 -0.096 49.2 -63.9 -68.8 173.8 -30.4 43.2 -20.9 145 150 A N > - 0 0 87 -114,-0.3 3,-1.7 1,-0.2 4,-0.4 -0.382 50.2-125.9 -58.1 138.9 -33.7 42.6 -22.5 146 151 A P T 3 S+ 0 0 111 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.598 106.4 60.0 -65.2 -11.1 -36.0 45.5 -21.6 147 152 A N T 3 S+ 0 0 139 1,-0.1 -2,-0.1 3,-0.0 3,-0.1 0.298 88.5 76.4 -99.9 8.9 -38.7 43.2 -20.2 148 153 A L S < S+ 0 0 70 -3,-1.7 2,-0.4 1,-0.2 -1,-0.1 0.848 92.7 39.0 -87.9 -39.4 -36.4 41.6 -17.6 149 154 A Y 0 0 65 -4,-0.4 -1,-0.2 -3,-0.1 -147,-0.0 -0.931 360.0 360.0-119.1 140.1 -36.2 44.3 -14.8 150 155 A E 0 0 261 -2,-0.4 -1,-0.1 -3,-0.1 -3,-0.0 0.632 360.0 360.0 -82.3 360.0 -38.9 46.6 -13.5