==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 12-JUL-11 3ZTO . COMPND 2 MOLECULE: NUCLEOSIDE DIPHOSPHATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR F.BOISSIER,F.GEORGESCAULD,L.MOYNIE,J.-W.DUPUY,C.SARGER,M.POD . 141 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7724.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 102 72.3 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 15.6 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 . 1 0.7 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 . 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 . 8 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 47 33.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 0 1 1 2 1 1 1 1 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 . 0 0 1 0 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 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 2 A A 0 0 83 0, 0.0 79,-2.7 0, 0.0 80,-0.4 0.000 360.0 360.0 360.0 147.2 -8.5 -24.1 -15.4 2 3 A V E +A 79 0A 97 77,-0.3 2,-0.3 78,-0.1 77,-0.3 -0.612 360.0 176.9 -68.2 128.3 -8.8 -20.3 -14.8 3 4 A E E -A 78 0A 53 75,-2.5 75,-2.2 -2,-0.4 2,-0.4 -0.892 28.4-133.1-132.6 161.8 -5.5 -19.4 -13.2 4 5 A R E +A 77 0A 100 -2,-0.3 2,-0.3 73,-0.2 73,-0.2 -0.959 25.0 178.7-115.2 137.7 -3.6 -16.3 -11.9 5 6 A T E -A 76 0A 0 71,-2.4 71,-2.7 -2,-0.4 2,-0.5 -0.924 22.7-125.4-132.1 158.8 -0.0 -15.6 -12.7 6 7 A L E -A 75 0A 0 -2,-0.3 115,-1.7 69,-0.2 2,-0.4 -0.916 21.1-173.9-105.1 129.6 2.4 -12.7 -11.9 7 8 A I E -AB 74 120A 1 67,-2.6 67,-2.4 -2,-0.5 2,-0.4 -0.914 5.2-165.0-111.7 148.5 4.3 -10.7 -14.5 8 9 A I E -AB 73 119A 0 111,-2.0 111,-2.4 -2,-0.4 2,-0.6 -0.980 16.0-141.1-127.4 122.6 7.0 -8.1 -13.7 9 10 A V E -AB 72 118A 0 63,-3.0 63,-1.3 -2,-0.4 109,-0.3 -0.739 30.9-135.7 -79.6 120.1 8.1 -5.7 -16.4 10 11 A K >> - 0 0 16 107,-2.2 4,-2.2 -2,-0.6 3,-0.6 -0.227 20.1-101.3 -82.7 166.9 11.9 -5.4 -15.9 11 12 A P H 3> S+ 0 0 2 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.780 118.5 59.2 -64.7 -25.6 13.9 -2.2 -15.8 12 13 A D H 3> S+ 0 0 10 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.916 110.6 41.1 -65.0 -44.9 15.2 -2.8 -19.4 13 14 A A H <>>S+ 0 0 0 -3,-0.6 5,-2.2 2,-0.2 4,-0.6 0.846 113.3 54.6 -71.1 -32.9 11.7 -2.8 -20.8 14 15 A M H ><5S+ 0 0 38 -4,-2.2 3,-1.4 1,-0.2 5,-0.3 0.961 109.5 47.3 -61.8 -49.6 10.7 0.1 -18.6 15 16 A E H 3<5S+ 0 0 162 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.785 106.6 57.3 -63.9 -31.0 13.6 2.2 -19.9 16 17 A K H 3<5S- 0 0 128 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.589 115.1-116.4 -73.6 -13.3 12.8 1.3 -23.5 17 18 A G T <<5S+ 0 0 54 -3,-1.4 3,-0.3 -4,-0.6 4,-0.3 0.734 76.0 129.9 85.0 23.8 9.3 2.7 -23.0 18 19 A A >< + 0 0 2 -5,-2.2 4,-2.5 1,-0.2 5,-0.2 0.444 31.8 101.6 -92.4 -3.2 7.5 -0.6 -23.5 19 20 A L H > S+ 0 0 47 -6,-0.4 4,-2.5 -5,-0.3 5,-0.2 0.897 85.4 43.2 -52.6 -49.8 5.3 -0.8 -20.5 20 21 A G H > S+ 0 0 50 -3,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.904 113.9 50.4 -67.1 -40.8 2.1 0.2 -22.2 21 22 A K H > S+ 0 0 136 -4,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.883 111.2 50.1 -64.2 -36.8 2.6 -2.0 -25.2 22 23 A I H X S+ 0 0 0 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.946 112.5 45.1 -68.9 -46.6 3.3 -5.0 -23.0 23 24 A L H X S+ 0 0 25 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.920 110.2 56.0 -62.5 -41.0 0.2 -4.4 -20.9 24 25 A D H X S+ 0 0 86 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.906 104.4 54.1 -55.6 -43.5 -1.8 -3.9 -24.1 25 26 A R H X S+ 0 0 49 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.942 109.4 45.6 -58.6 -47.6 -0.7 -7.3 -25.4 26 27 A F H <>S+ 0 0 1 -4,-1.7 5,-2.1 1,-0.2 4,-0.2 0.887 112.8 51.4 -67.9 -33.9 -1.9 -9.2 -22.4 27 28 A I H ><5S+ 0 0 78 -4,-2.3 3,-1.5 1,-0.2 -1,-0.2 0.931 110.6 48.1 -63.7 -44.6 -5.2 -7.3 -22.4 28 29 A Q H 3<5S+ 0 0 134 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.807 103.3 61.5 -70.1 -26.1 -5.7 -8.2 -26.1 29 30 A E T 3<5S- 0 0 74 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.501 125.1-103.6 -75.8 -4.9 -4.9 -11.8 -25.5 30 31 A G T < 5S+ 0 0 50 -3,-1.5 2,-0.3 1,-0.3 -3,-0.2 0.554 70.7 144.3 99.8 10.8 -7.9 -11.8 -23.1 31 32 A F < - 0 0 4 -5,-2.1 2,-0.5 47,-0.1 -1,-0.3 -0.599 45.1-132.1 -82.2 143.0 -6.3 -11.7 -19.6 32 33 A Q E -C 77 0A 123 45,-2.5 45,-2.3 -2,-0.3 2,-0.7 -0.819 14.5-136.6 -88.6 126.7 -7.9 -9.8 -16.8 33 34 A I E +C 76 0A 52 -2,-0.5 43,-0.2 43,-0.2 3,-0.1 -0.772 27.7 174.2 -82.0 115.4 -5.5 -7.6 -14.9 34 35 A K E + 0 0 47 41,-2.8 107,-2.5 -2,-0.7 2,-0.3 0.556 66.2 10.5 -98.6 -16.3 -6.4 -8.2 -11.3 35 36 A A E +C 75 0A 4 40,-0.8 40,-2.0 105,-0.2 -1,-0.3 -0.950 64.5 175.0-159.4 151.1 -3.7 -6.1 -9.7 36 37 A L E +C 74 0A 87 -2,-0.3 2,-0.3 103,-0.3 38,-0.2 -0.935 8.5 150.6-162.0 130.2 -1.1 -3.7 -11.0 37 38 A K E -C 73 0A 64 36,-2.0 36,-2.4 -2,-0.3 2,-0.4 -0.960 36.0-129.8-163.7 151.9 1.5 -1.4 -9.5 38 39 A M E +C 72 0A 117 -2,-0.3 2,-0.3 34,-0.2 34,-0.2 -0.826 44.2 146.9 -91.6 135.9 4.8 0.3 -9.9 39 40 A F E -C 71 0A 44 32,-2.1 32,-2.8 -2,-0.4 2,-0.5 -0.933 43.0-116.2-155.8 174.6 7.3 -0.2 -7.1 40 41 A R - 0 0 148 -2,-0.3 2,-0.3 30,-0.2 27,-0.1 -0.981 22.9-137.9-124.5 116.7 11.0 -0.5 -6.5 41 42 A F - 0 0 4 25,-0.5 28,-0.1 -2,-0.5 -2,-0.0 -0.563 13.8-139.9 -62.7 131.5 12.5 -3.7 -5.1 42 43 A T > - 0 0 70 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.527 32.8-106.3 -72.8 160.4 15.2 -3.2 -2.4 43 44 A P H > S+ 0 0 79 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.902 122.3 53.0 -58.4 -37.5 18.0 -5.6 -3.0 44 45 A E H > S+ 0 0 77 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.937 110.3 46.0 -62.7 -45.2 16.8 -7.6 0.1 45 46 A K H > S+ 0 0 101 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.872 110.8 52.7 -68.7 -35.1 13.2 -7.8 -1.3 46 47 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.925 108.7 51.2 -62.0 -42.7 14.4 -8.9 -4.7 47 48 A G H < S+ 0 0 17 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.866 111.2 47.6 -63.7 -35.5 16.5 -11.6 -3.1 48 49 A E H >< S+ 0 0 75 -4,-1.9 3,-1.6 1,-0.2 -1,-0.2 0.894 108.9 53.5 -70.4 -40.9 13.5 -12.9 -1.2 49 50 A F H 3< S+ 0 0 4 -4,-2.4 3,-0.3 1,-0.3 -2,-0.2 0.921 116.5 39.6 -58.2 -40.8 11.3 -12.8 -4.3 50 51 A Y T >< S+ 0 0 14 -4,-2.2 3,-1.8 1,-0.2 -1,-0.3 -0.003 78.8 131.7 -98.5 28.8 13.9 -14.9 -6.1 51 52 A Y G X + 0 0 123 -3,-1.6 3,-2.0 1,-0.3 -1,-0.2 0.835 64.2 60.4 -51.3 -42.9 14.6 -17.1 -3.1 52 53 A V G 3 S+ 0 0 95 -3,-0.3 3,-0.3 1,-0.3 -1,-0.3 0.764 108.6 45.0 -63.6 -22.3 14.3 -20.4 -4.9 53 54 A H G X S+ 0 0 42 -3,-1.8 3,-2.1 1,-0.2 -1,-0.3 0.213 75.5 117.9-103.3 16.6 17.2 -19.4 -7.2 54 55 A R T < S+ 0 0 105 -3,-2.0 -1,-0.2 1,-0.3 -2,-0.1 0.693 73.8 52.3 -61.7 -20.9 19.5 -18.0 -4.5 55 56 A E T 3 S+ 0 0 170 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.428 83.4 111.5 -95.4 -0.9 22.2 -20.6 -5.2 56 57 A R S X S- 0 0 121 -3,-2.1 3,-1.8 1,-0.1 4,-0.3 -0.447 76.7-120.4 -75.6 148.8 22.5 -19.9 -9.0 57 58 A P T 3 S+ 0 0 125 0, 0.0 3,-0.3 0, 0.0 4,-0.2 0.793 111.5 50.2 -59.4 -30.1 25.6 -18.3 -10.3 58 59 A F T 3> S+ 0 0 89 1,-0.2 4,-2.4 2,-0.1 5,-0.2 0.348 79.9 107.2 -88.1 4.7 23.8 -15.3 -11.7 59 60 A F H <> S+ 0 0 34 -3,-1.8 4,-2.8 1,-0.2 5,-0.2 0.882 77.0 44.8 -61.5 -49.0 21.8 -14.6 -8.5 60 61 A Q H > S+ 0 0 113 -3,-0.3 4,-2.4 -4,-0.3 -1,-0.2 0.883 114.5 51.0 -63.0 -36.0 23.6 -11.4 -7.2 61 62 A E H > S+ 0 0 112 -4,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.902 111.3 48.4 -67.4 -39.4 23.5 -9.9 -10.8 62 63 A L H X S+ 0 0 25 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.924 111.2 49.3 -64.3 -47.0 19.8 -10.7 -11.0 63 64 A V H X S+ 0 0 5 -4,-2.8 4,-0.9 1,-0.2 -2,-0.2 0.914 113.1 47.2 -59.5 -44.1 19.1 -9.1 -7.6 64 65 A E H >< S+ 0 0 125 -4,-2.4 3,-0.6 -5,-0.2 4,-0.2 0.924 113.4 47.5 -63.9 -46.2 21.0 -6.0 -8.5 65 66 A F H >< S+ 0 0 37 -4,-2.4 3,-1.6 1,-0.2 4,-0.3 0.941 111.4 50.0 -61.8 -46.8 19.3 -5.7 -11.9 66 67 A M H 3< S+ 0 0 0 -4,-2.8 -25,-0.5 1,-0.3 -1,-0.2 0.628 116.3 42.4 -75.5 -8.3 15.8 -6.2 -10.5 67 68 A S T << S+ 0 0 12 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.242 90.6 92.1-110.7 12.6 16.4 -3.6 -7.8 68 69 A S S < S- 0 0 57 -3,-1.6 -2,-0.1 -4,-0.2 -3,-0.1 0.543 100.3 -8.8 -87.3 -10.1 18.2 -1.1 -10.2 69 70 A G S S- 0 0 8 -4,-0.3 -28,-0.4 -3,-0.1 -1,-0.1 -0.961 94.2 -59.3-170.5 172.0 15.1 0.8 -11.1 70 71 A P - 0 0 60 0, 0.0 2,-0.3 0, 0.0 -30,-0.2 -0.261 48.5-166.5 -65.2 150.5 11.4 0.8 -10.7 71 72 A V E - C 0 39A 0 -32,-2.8 -32,-2.1 -57,-0.1 2,-0.4 -0.851 14.6-132.0-127.7 166.0 9.4 -2.2 -12.1 72 73 A V E -AC 9 38A 6 -63,-1.3 -63,-3.0 -2,-0.3 2,-0.3 -0.987 18.9-166.1-124.7 125.0 5.7 -2.9 -12.7 73 74 A A E -AC 8 37A 0 -36,-2.4 -36,-2.0 -2,-0.4 2,-0.3 -0.843 6.5-178.1-104.6 149.3 4.0 -6.0 -11.5 74 75 A A E -AC 7 36A 1 -67,-2.4 -67,-2.6 -2,-0.3 2,-0.6 -0.998 24.0-136.8-144.0 144.2 0.6 -7.3 -12.6 75 76 A V E -AC 6 35A 0 -40,-2.0 -41,-2.8 -2,-0.3 -40,-0.8 -0.909 25.4-161.5 -96.3 122.6 -1.6 -10.2 -11.7 76 77 A L E -AC 5 33A 0 -71,-2.7 -71,-2.4 -2,-0.6 2,-0.4 -0.925 4.2-165.2-108.0 132.8 -3.1 -11.7 -14.9 77 78 A E E +AC 4 32A 46 -45,-2.3 -45,-2.5 -2,-0.4 2,-0.3 -0.954 29.9 101.7-119.8 134.0 -6.1 -14.0 -14.7 78 79 A G E > S-A 3 0A 13 -75,-2.2 -75,-2.5 -2,-0.4 3,-1.7 -0.953 71.0 -45.3 175.0 176.7 -7.5 -16.3 -17.4 79 80 A E E 3 S-A 2 0A 97 1,-0.3 -77,-0.3 -2,-0.3 5,-0.1 -0.347 123.4 -9.6 -58.2 130.2 -7.8 -19.8 -18.7 80 81 A D T 3> S+ 0 0 57 -79,-2.7 4,-2.5 1,-0.1 -1,-0.3 0.810 88.0 162.0 53.3 35.2 -4.4 -21.6 -18.6 81 82 A A H <> + 0 0 0 -3,-1.7 4,-2.6 -80,-0.4 5,-0.3 0.825 60.5 57.3 -60.2 -39.4 -2.8 -18.3 -17.7 82 83 A I H > S+ 0 0 10 -4,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.975 116.9 32.9 -61.4 -49.5 0.5 -19.6 -16.4 83 84 A K H > S+ 0 0 145 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.881 118.7 53.0 -72.2 -39.0 1.4 -21.5 -19.5 84 85 A R H X S+ 0 0 72 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.892 108.3 49.9 -66.0 -39.2 -0.2 -19.1 -22.0 85 86 A V H X S+ 0 0 0 -4,-2.6 4,-2.1 -5,-0.3 -1,-0.2 0.911 108.6 53.1 -65.1 -39.8 1.6 -16.1 -20.5 86 87 A R H X S+ 0 0 118 -4,-1.6 4,-1.8 -5,-0.3 -2,-0.2 0.888 109.0 50.5 -61.2 -37.9 4.9 -18.0 -20.8 87 88 A E H < S+ 0 0 154 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.920 109.5 50.2 -63.6 -43.9 4.1 -18.7 -24.5 88 89 A I H < S+ 0 0 14 -4,-2.2 17,-2.1 1,-0.2 -2,-0.2 0.844 111.5 48.0 -64.8 -35.8 3.4 -15.0 -25.1 89 90 A I H < S- 0 0 5 -4,-2.1 17,-2.4 15,-0.2 18,-0.3 0.847 101.0-154.9 -79.2 -30.0 6.6 -13.8 -23.5 90 91 A G < - 0 0 11 -4,-1.8 -1,-0.1 -5,-0.2 -2,-0.1 -0.176 36.0 -10.9 88.7 178.9 8.8 -16.3 -25.4 91 92 A P - 0 0 31 0, 0.0 6,-0.2 0, 0.0 7,-0.1 -0.113 63.9-115.2 -53.7 147.5 12.1 -18.0 -24.7 92 93 A T S S+ 0 0 94 1,-0.1 2,-0.8 4,-0.1 20,-0.1 0.857 104.4 69.2 -50.1 -45.7 14.4 -16.8 -21.9 93 94 A D S >> S- 0 0 28 1,-0.2 4,-2.4 17,-0.0 3,-0.5 -0.723 76.1-152.8 -83.5 112.5 17.0 -15.7 -24.4 94 95 A S H 3> S+ 0 0 0 18,-1.5 4,-1.6 -2,-0.8 -1,-0.2 0.764 94.8 56.2 -56.6 -30.0 15.6 -12.7 -26.2 95 96 A E H 3> S+ 0 0 112 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.907 108.1 46.4 -72.3 -39.7 17.8 -13.4 -29.3 96 97 A E H X> S+ 0 0 99 -3,-0.5 4,-2.2 1,-0.2 3,-0.6 0.909 108.4 58.2 -63.4 -40.5 16.4 -17.0 -29.5 97 98 A A H 3X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.3 7,-0.3 0.885 102.0 54.0 -56.6 -40.3 12.9 -15.4 -29.1 98 99 A R H 3< S+ 0 0 103 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.830 111.1 46.8 -64.1 -29.7 13.5 -13.3 -32.2 99 100 A K H << S+ 0 0 176 -4,-1.0 -2,-0.2 -3,-0.6 -1,-0.2 0.877 128.6 19.5 -79.8 -38.5 14.3 -16.4 -34.1 100 101 A V H < S+ 0 0 99 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.624 134.6 27.5-111.0 -16.6 11.4 -18.6 -33.1 101 102 A A >< + 0 0 26 -4,-2.8 3,-2.3 -5,-0.3 6,-0.3 -0.533 62.9 175.1-145.9 72.8 8.7 -16.3 -31.7 102 103 A P T 3 S+ 0 0 84 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.693 80.5 46.5 -62.3 -25.4 9.0 -12.9 -33.4 103 104 A N T 3 S+ 0 0 97 4,-0.1 -5,-0.1 -6,-0.1 2,-0.0 0.267 86.9 117.7 -99.0 12.4 5.9 -11.3 -31.8 104 105 A S S <> S- 0 0 5 -3,-2.3 4,-2.5 -7,-0.3 -15,-0.2 -0.356 78.6-112.2 -74.4 158.0 6.7 -12.5 -28.3 105 106 A I H > S+ 0 0 1 -17,-2.1 4,-2.7 1,-0.2 5,-0.5 0.922 118.2 47.1 -56.2 -44.5 7.3 -10.0 -25.6 106 107 A R H > S+ 0 0 25 -17,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.878 111.2 50.4 -70.9 -34.5 11.0 -10.9 -25.3 107 108 A A H 4 S+ 0 0 7 -6,-0.3 -1,-0.2 -18,-0.3 -2,-0.2 0.928 118.3 39.9 -62.7 -42.0 11.5 -10.8 -29.1 108 109 A Q H < S+ 0 0 103 -4,-2.5 -2,-0.2 1,-0.1 -1,-0.2 0.864 136.9 11.4 -75.4 -38.1 9.9 -7.4 -29.3 109 110 A F H < S+ 0 0 35 -4,-2.7 8,-0.2 -5,-0.2 -3,-0.2 0.478 101.6 97.8-127.9 -7.6 11.3 -5.8 -26.2 110 111 A G < - 0 0 5 -4,-1.7 6,-0.2 -5,-0.5 3,-0.1 -0.445 45.2-166.2 -82.4 160.6 14.1 -8.0 -24.8 111 112 A T - 0 0 57 4,-3.0 5,-0.2 1,-0.3 2,-0.2 0.791 62.1 -36.2-109.0 -56.2 17.8 -7.6 -25.4 112 113 A D S S- 0 0 67 3,-1.8 -18,-1.5 -18,-0.1 -1,-0.3 -0.482 83.9 -58.3-147.9-148.9 19.6 -10.8 -24.4 113 114 A K S S+ 0 0 141 -20,-0.2 3,-0.3 -2,-0.2 -3,-0.0 0.845 131.7 34.1 -78.7 -33.0 19.3 -13.5 -21.7 114 115 A G S S+ 0 0 46 1,-0.3 2,-1.5 3,-0.0 -1,-0.1 0.916 119.2 48.1 -88.4 -48.9 19.6 -11.2 -18.7 115 116 A K S S+ 0 0 108 1,-0.2 -4,-3.0 -103,-0.1 -3,-1.8 -0.712 72.8 144.7 -90.3 83.4 17.9 -8.1 -20.0 116 117 A N - 0 0 4 -2,-1.5 2,-2.2 -3,-0.3 -6,-0.2 -0.113 58.3-122.4-122.3 33.8 14.9 -10.0 -21.3 117 118 A A S S+ 0 0 0 -8,-0.2 -107,-2.2 -108,-0.1 2,-0.3 -0.068 76.7 34.7 70.9 -38.8 12.1 -7.5 -20.6 118 119 A I E -B 9 0A 0 -2,-2.2 2,-0.4 -109,-0.3 -109,-0.2 -0.999 54.6-146.9-158.8 143.6 9.8 -9.5 -18.4 119 120 A H E -B 8 0A 21 -111,-2.4 -111,-2.0 -2,-0.3 2,-0.3 -0.918 19.8-178.5-105.0 143.4 9.4 -12.1 -15.6 120 121 A A E -B 7 0A 9 -2,-0.4 -113,-0.2 -113,-0.2 -2,-0.0 -0.997 38.5 -93.9-138.7 148.0 6.5 -14.5 -15.4 121 122 A S - 0 0 0 -115,-1.7 -35,-0.1 -2,-0.3 -36,-0.1 -0.275 30.3-151.9 -54.2 137.4 5.7 -17.1 -12.8 122 123 A D + 0 0 74 1,-0.1 -1,-0.1 -36,-0.0 3,-0.1 0.533 68.7 2.9 -95.1 -2.7 7.0 -20.4 -14.0 123 124 A S S > S- 0 0 26 1,-0.1 4,-2.4 -41,-0.0 5,-0.2 -0.964 79.5 -94.7-169.0 165.5 4.5 -22.8 -12.3 124 125 A P H > S+ 0 0 75 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.878 122.7 53.3 -64.8 -32.6 1.4 -22.8 -10.1 125 126 A E H > S+ 0 0 140 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.920 112.5 42.2 -69.0 -43.4 3.6 -23.1 -7.0 126 127 A S H > S+ 0 0 23 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.877 111.1 57.0 -69.2 -36.4 5.7 -20.1 -7.9 127 128 A A H X S+ 0 0 3 -4,-2.4 4,-2.7 1,-0.2 5,-0.3 0.927 105.7 50.7 -60.0 -42.8 2.7 -18.1 -9.0 128 129 A Q H X S+ 0 0 152 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.926 116.3 41.0 -59.2 -47.7 1.1 -18.6 -5.5 129 130 A Y H X S+ 0 0 95 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.917 116.5 48.0 -64.8 -47.7 4.3 -17.4 -3.8 130 131 A E H X S+ 0 0 15 -4,-3.2 4,-1.5 2,-0.2 5,-0.2 0.885 108.9 51.6 -68.1 -40.9 5.0 -14.5 -6.2 131 132 A I H X S+ 0 0 18 -4,-2.7 4,-3.2 -5,-0.3 3,-0.4 0.956 113.7 44.9 -62.7 -47.5 1.5 -13.1 -6.3 132 133 A C H < S+ 0 0 98 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.793 107.5 60.2 -63.7 -31.4 1.4 -12.9 -2.4 133 134 A F H < S+ 0 0 53 -4,-1.8 -1,-0.2 1,-0.1 -2,-0.2 0.894 119.9 24.8 -63.7 -37.4 4.9 -11.5 -2.3 134 135 A I H < S+ 0 0 14 -4,-1.5 2,-0.4 -3,-0.4 -2,-0.2 0.826 126.1 35.7 -97.1 -37.3 3.9 -8.5 -4.3 135 136 A F < - 0 0 6 -4,-3.2 -1,-0.2 -5,-0.2 2,-0.1 -0.968 63.0-146.0-127.8 132.4 0.2 -8.0 -3.7 136 137 A S > - 0 0 52 -2,-0.4 3,-1.2 -3,-0.1 4,-0.4 -0.402 38.8-104.1 -78.3 167.2 -2.1 -8.6 -0.7 137 138 A G G > S+ 0 0 64 1,-0.2 3,-1.0 2,-0.2 -1,-0.1 0.810 122.6 64.0 -58.3 -29.6 -5.6 -9.8 -1.2 138 139 A L G 3 S+ 0 0 164 1,-0.2 -1,-0.2 3,-0.0 -3,-0.0 0.768 100.0 53.2 -67.3 -25.0 -6.7 -6.2 -0.5 139 140 A E G < S+ 0 0 71 -3,-1.2 2,-0.6 2,-0.1 -103,-0.3 0.475 85.6 94.1 -88.9 -5.8 -4.9 -5.1 -3.7 140 141 A I < 0 0 36 -3,-1.0 -105,-0.2 -4,-0.4 -106,-0.1 -0.804 360.0 360.0 -92.5 119.9 -6.6 -7.6 -5.9 141 142 A V 0 0 148 -107,-2.5 -2,-0.1 -2,-0.6 -3,-0.0 -0.795 360.0 360.0-136.5 360.0 -9.6 -5.8 -7.5