==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 09-MAR-10 3M3H . COMPND 2 MOLECULE: OROTATE PHOSPHORIBOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS; . AUTHOR A.S.HALAVATY,L.SHUVALOVA,G.MINASOV,J.WINSOR,I.DUBROVSKA,K.KW . 202 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9920.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 150 74.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 11.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 5.0 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 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 11 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 72 35.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.5 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 0 0 0 0 1 1 1 2 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 1 0 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 PARALLEL BRIDGES PER LADDER . 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 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 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 Q >> 0 0 128 0, 0.0 3,-1.3 0, 0.0 4,-1.0 0.000 360.0 360.0 360.0 176.0 18.8 8.0 25.8 2 -2 A S H 3> + 0 0 92 1,-0.2 4,-2.8 2,-0.2 3,-0.4 -0.077 360.0 2.5 44.4-133.6 15.1 8.2 24.8 3 -1 A N H 3> S+ 0 0 121 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.816 135.6 52.7 -50.8 -39.0 12.7 7.0 27.7 4 0 A A H <> S+ 0 0 61 -3,-1.3 4,-2.5 2,-0.2 -1,-0.2 0.938 112.1 45.1 -62.7 -47.3 15.6 6.4 30.1 5 1 A M H X S+ 0 0 46 -4,-1.0 4,-3.0 -3,-0.4 5,-0.3 0.905 110.9 54.2 -63.0 -43.9 17.0 10.0 29.5 6 2 A K H X S+ 0 0 58 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.896 112.8 42.1 -59.8 -41.1 13.5 11.5 29.8 7 3 A K H X S+ 0 0 69 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.908 115.0 50.4 -74.3 -38.4 12.9 9.8 33.2 8 4 A E H X S+ 0 0 115 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.928 113.5 45.1 -64.0 -44.6 16.4 10.6 34.5 9 5 A I H X S+ 0 0 2 -4,-3.0 4,-2.7 156,-0.2 5,-0.2 0.933 111.8 52.1 -66.7 -43.1 16.1 14.2 33.4 10 6 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 -5,-0.3 5,-0.2 0.911 108.0 53.4 -57.3 -41.4 12.6 14.5 34.9 11 7 A S H X S+ 0 0 19 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.938 110.7 45.9 -58.6 -48.4 14.0 13.1 38.2 12 8 A H H X S+ 0 0 49 -4,-2.1 4,-2.6 2,-0.2 6,-0.3 0.910 110.6 52.9 -61.1 -44.7 16.7 15.7 38.3 13 9 A L H X>S+ 0 0 0 -4,-2.7 5,-2.1 1,-0.2 6,-1.2 0.902 113.3 43.6 -60.9 -40.9 14.3 18.6 37.5 14 10 A L H ><5S+ 0 0 26 -4,-2.3 3,-0.8 -5,-0.2 -1,-0.2 0.933 113.1 52.9 -65.8 -46.4 12.0 17.5 40.3 15 11 A E H 3<5S+ 0 0 119 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.870 113.5 41.0 -59.6 -39.5 15.0 17.0 42.7 16 12 A I H 3<5S- 0 0 19 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.510 114.2-113.1 -89.9 -3.2 16.5 20.5 42.1 17 13 A G T <<5S+ 0 0 23 -3,-0.8 -3,-0.2 -4,-0.6 -4,-0.1 0.707 77.9 129.0 80.7 21.5 13.1 22.3 42.1 18 14 A A S + 0 0 90 14,-2.7 3,-1.1 -2,-0.4 15,-0.1 -0.475 6.3 159.6-147.1 65.7 0.6 20.9 42.8 23 19 A P T 3 S+ 0 0 3 0, 0.0 14,-0.1 0, 0.0 -1,-0.1 0.799 78.9 49.1 -64.8 -27.2 -2.5 19.3 41.1 24 20 A N T 3 S+ 0 0 108 1,-0.3 -2,-0.0 12,-0.1 178,-0.0 0.551 121.4 34.8 -87.0 -7.0 -4.6 19.5 44.3 25 21 A D S < S- 0 0 114 -3,-1.1 -1,-0.3 11,-0.1 10,-0.0 -0.637 94.9-142.9-146.3 75.0 -3.8 23.2 44.8 26 22 A P - 0 0 29 0, 0.0 2,-0.2 0, 0.0 8,-0.0 -0.027 5.3-130.4 -51.5 141.3 -3.5 24.8 41.3 27 23 A F E -B 35 0B 57 8,-3.1 8,-2.3 -5,-0.1 2,-0.5 -0.470 15.2-134.4 -78.2 158.7 -0.9 27.4 40.5 28 24 A T E -B 34 0B 84 6,-0.2 6,-0.2 -2,-0.2 5,-0.1 -0.984 21.5-145.8-116.1 115.2 -2.1 30.5 38.7 29 25 A W > - 0 0 39 4,-3.1 3,-2.0 -2,-0.5 9,-0.0 -0.239 32.2 -96.2 -72.0 169.4 0.2 31.4 35.8 30 26 A S T 3 S+ 0 0 139 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.769 126.4 58.4 -60.7 -22.5 1.0 35.0 34.8 31 27 A S T 3 S- 0 0 89 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.701 121.1-109.6 -78.2 -17.6 -1.7 34.8 32.1 32 28 A G S < S+ 0 0 42 -3,-2.0 2,-0.2 1,-0.4 -2,-0.1 0.255 74.0 139.3 103.3 -6.0 -4.2 34.0 34.9 33 29 A M - 0 0 45 -5,-0.1 -4,-3.1 1,-0.1 -1,-0.4 -0.492 52.9-125.8 -74.9 137.6 -4.6 30.3 33.8 34 30 A K E +B 28 0B 67 -6,-0.2 -6,-0.2 -2,-0.2 -1,-0.1 -0.596 36.0 174.4 -79.7 142.2 -4.7 27.7 36.5 35 31 A S E -B 27 0B 0 -8,-2.3 -8,-3.1 -2,-0.3 -10,-0.1 -0.999 40.0-145.8-150.4 145.9 -2.2 24.9 36.1 36 32 A P S S+ 0 0 0 0, 0.0 -14,-2.7 0, 0.0 2,-0.3 0.519 88.0 50.4 -85.1 -3.8 -1.0 21.9 38.1 37 33 A I E -A 21 0A 0 -16,-0.2 2,-0.3 -15,-0.1 -16,-0.2 -0.950 53.5-177.0-138.1 148.7 2.5 22.4 36.9 38 34 A Y E -A 20 0A 85 -18,-1.9 -18,-2.8 -2,-0.3 2,-0.5 -0.968 9.3-163.2-143.4 135.7 5.2 25.1 36.6 39 35 A C E +A 19 0A 9 -2,-0.3 2,-0.3 -20,-0.2 -20,-0.2 -0.970 12.4 171.6-119.4 125.2 8.6 24.8 35.0 40 36 A D > + 0 0 23 -22,-3.1 3,-1.5 -2,-0.5 4,-0.2 -0.766 3.5 177.0-132.1 91.2 11.5 27.2 35.6 41 37 A N G > + 0 0 4 -2,-0.3 3,-1.2 1,-0.3 4,-0.3 0.493 67.1 88.0 -72.9 -1.9 14.7 25.9 34.1 42 38 A R G > S+ 0 0 160 1,-0.2 3,-1.5 2,-0.2 -1,-0.3 0.820 79.4 67.1 -62.3 -25.5 16.5 29.1 35.1 43 39 A L G X S+ 0 0 52 -3,-1.5 3,-1.6 1,-0.3 -1,-0.2 0.758 82.2 72.7 -67.5 -22.8 17.1 27.2 38.3 44 40 A T G X S+ 0 0 0 -3,-1.2 3,-1.6 1,-0.3 7,-0.4 0.736 80.2 75.8 -63.3 -21.5 19.4 24.7 36.5 45 41 A L G < S+ 0 0 76 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.805 90.6 55.2 -58.7 -28.8 21.9 27.5 36.3 46 42 A S G < S+ 0 0 95 -3,-1.6 -1,-0.3 -4,-0.2 -2,-0.2 0.466 95.9 72.5 -83.3 -3.9 22.7 27.0 40.0 47 43 A Y <> - 0 0 97 -3,-1.6 4,-2.9 -4,-0.2 5,-0.3 -0.850 61.4-171.3-118.5 91.7 23.5 23.2 39.6 48 44 A P H > S+ 0 0 73 0, 0.0 4,-1.0 0, 0.0 -1,-0.1 0.837 85.0 38.4 -57.0 -36.8 26.8 22.7 37.8 49 45 A K H > S+ 0 0 155 2,-0.2 4,-2.1 1,-0.1 5,-0.2 0.932 117.0 48.1 -82.9 -44.2 26.5 19.0 37.3 50 46 A V H > S+ 0 0 20 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.926 111.7 50.5 -60.6 -42.3 22.8 18.8 36.5 51 47 A R H X S+ 0 0 62 -4,-2.9 4,-2.5 -7,-0.4 -1,-0.2 0.852 110.3 50.7 -66.2 -32.8 23.1 21.7 34.0 52 48 A Q H X S+ 0 0 104 -4,-1.0 4,-2.7 -5,-0.3 -1,-0.2 0.860 108.2 51.6 -69.3 -37.4 26.1 19.9 32.3 53 49 A T H X S+ 0 0 46 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.903 112.5 47.6 -64.9 -39.9 24.0 16.6 32.1 54 50 A I H X S+ 0 0 1 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.941 112.0 48.0 -66.1 -46.5 21.3 18.7 30.4 55 51 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.904 111.6 50.5 -64.2 -38.5 23.7 20.4 28.0 56 52 A A H X S+ 0 0 33 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.898 110.7 50.3 -64.4 -37.6 25.2 17.0 27.1 57 53 A G H X S+ 0 0 2 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.893 109.9 49.1 -66.1 -41.6 21.7 15.7 26.5 58 54 A L H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.909 110.9 51.2 -64.4 -42.5 20.8 18.7 24.2 59 55 A E H X S+ 0 0 23 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.902 109.0 51.0 -59.1 -43.0 24.1 18.1 22.3 60 56 A E H X S+ 0 0 67 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.916 108.1 51.8 -63.9 -43.1 23.2 14.5 21.9 61 57 A L H X S+ 0 0 20 -4,-2.3 4,-2.5 2,-0.2 5,-0.4 0.903 111.5 48.1 -58.2 -40.6 19.7 15.4 20.5 62 58 A I H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.932 112.8 46.9 -67.1 -44.4 21.4 17.8 18.0 63 59 A K H < S+ 0 0 113 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.870 117.2 45.2 -63.1 -37.9 23.9 15.1 16.9 64 60 A E H < S+ 0 0 75 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.880 132.1 15.0 -71.6 -43.0 21.1 12.6 16.6 65 61 A H H < S+ 0 0 67 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.713 133.9 31.0-110.4 -28.0 18.6 14.7 14.8 66 62 A F >< + 0 0 11 -4,-2.6 3,-1.8 -5,-0.4 -2,-0.1 -0.405 64.0 154.7-131.2 54.6 20.2 17.8 13.3 67 63 A P T 3 + 0 0 92 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.667 67.3 61.8 -65.0 -18.6 23.8 16.7 12.6 68 64 A T T 3 S+ 0 0 85 -6,-0.1 41,-0.2 42,-0.0 -5,-0.1 0.314 75.4 144.2 -88.2 7.4 24.5 19.3 9.8 69 65 A V < + 0 0 15 -3,-1.8 41,-0.2 -7,-0.2 3,-0.1 -0.112 24.3 174.6 -49.4 137.2 24.0 22.2 12.3 70 66 A E + 0 0 80 39,-2.8 2,-0.3 1,-0.3 40,-0.2 0.587 65.1 28.9-114.4 -28.1 26.2 25.3 11.8 71 67 A V E -c 110 0C 0 38,-2.0 40,-2.2 19,-0.1 2,-0.5 -0.998 63.7-142.7-140.6 141.7 24.9 27.7 14.4 72 68 A I E -cd 111 92C 0 19,-2.4 21,-2.2 -2,-0.3 2,-0.5 -0.915 17.5-163.5-103.3 127.4 23.2 27.4 17.8 73 69 A A E -cd 112 93C 0 38,-2.8 40,-2.9 -2,-0.5 21,-0.2 -0.944 4.8-165.1-113.0 122.4 20.5 30.0 18.6 74 70 A G E cd 113 94C 0 19,-2.5 21,-2.4 -2,-0.5 4,-0.2 -0.622 360.0 360.0 -99.9 165.6 19.3 30.5 22.1 75 71 A T 0 0 43 38,-0.8 40,-0.4 -2,-0.2 21,-0.1 -0.966 360.0 360.0-138.0 360.0 16.1 32.3 23.4 76 ! 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 77 75 A G > 0 0 30 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -42.7 18.0 29.5 26.9 78 76 A I H > + 0 0 74 2,-0.2 4,-2.2 -4,-0.2 5,-0.1 0.925 360.0 48.7 -62.9 -48.4 21.1 31.8 26.4 79 77 A A H > S+ 0 0 28 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.929 115.3 43.3 -60.2 -47.2 23.0 29.9 29.1 80 78 A H H > S+ 0 0 5 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.903 111.8 53.0 -69.0 -34.7 22.2 26.5 27.7 81 79 A A H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.898 109.6 51.6 -62.8 -37.3 22.8 27.6 24.2 82 80 A A H X S+ 0 0 37 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.949 111.0 45.7 -62.2 -46.9 26.2 28.8 25.5 83 81 A W H X S+ 0 0 71 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.910 116.6 45.2 -63.8 -41.4 26.9 25.4 27.1 84 82 A V H X S+ 0 0 0 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.941 111.9 50.5 -66.8 -49.7 25.8 23.5 24.0 85 83 A S H X>S+ 0 0 13 -4,-2.9 5,-2.1 -5,-0.2 4,-0.7 0.857 110.0 51.5 -61.6 -33.7 27.7 25.7 21.5 86 84 A D H ><5S+ 0 0 118 -4,-2.0 3,-0.7 -5,-0.2 -1,-0.2 0.929 108.7 50.0 -66.9 -44.0 30.9 25.4 23.5 87 85 A R H 3<5S+ 0 0 102 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.854 119.4 38.5 -61.5 -34.0 30.6 21.5 23.5 88 86 A M H 3<5S- 0 0 36 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.447 104.7-127.0 -96.1 -1.2 30.1 21.5 19.8 89 87 A D T <<5 + 0 0 141 -4,-0.7 -3,-0.2 -3,-0.7 -4,-0.1 0.881 61.2 142.9 53.6 44.2 32.6 24.4 18.9 90 88 A L < - 0 0 40 -5,-2.1 -1,-0.2 -6,-0.1 -19,-0.1 -0.858 57.4-101.5-115.7 147.4 29.9 26.2 17.0 91 89 A P - 0 0 78 0, 0.0 -19,-2.4 0, 0.0 2,-0.3 -0.296 40.8-152.3 -56.7 148.0 29.0 29.9 16.6 92 90 A M E +d 72 0C 54 -21,-0.2 2,-0.3 -19,-0.0 11,-0.3 -0.881 19.1 172.8-123.9 155.7 26.1 31.0 18.7 93 91 A C E -d 73 0C 2 -21,-2.2 -19,-2.5 -2,-0.3 2,-0.3 -0.898 16.7-143.8-144.2 168.7 23.4 33.7 18.5 94 92 A Y E -dE 74 101C 87 7,-2.2 7,-3.1 -2,-0.3 2,-0.5 -0.996 4.5-140.9-141.8 154.8 20.4 34.6 20.5 95 93 A V E E 0 100C 3 -21,-2.4 5,-0.2 -2,-0.3 4,-0.1 -0.948 360.0 360.0-115.9 124.0 17.0 35.9 19.7 96 94 A R 0 0 182 3,-2.0 -21,-0.0 -2,-0.5 -2,-0.0 -0.432 360.0 360.0 -65.8 360.0 15.2 38.4 21.9 97 ! 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 98 104 A N 0 0 105 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 42.5 12.8 39.9 17.5 99 105 A Q - 0 0 118 -4,-0.1 -3,-2.0 1,-0.1 2,-0.5 -0.287 360.0-134.8 -66.0 139.4 16.4 41.2 17.0 100 106 A I E -E 95 0C 39 -5,-0.2 2,-0.5 29,-0.1 -5,-0.2 -0.870 14.0-155.5 -98.5 124.7 19.1 38.5 16.5 101 107 A E E +E 94 0C 48 -7,-3.1 -7,-2.2 -2,-0.5 2,-0.1 -0.900 65.5 22.6-103.0 130.7 22.3 39.2 18.5 102 108 A G S S- 0 0 53 -2,-0.5 -9,-0.1 -9,-0.2 2,-0.1 -0.105 111.8 -44.9 93.2 160.6 25.4 37.5 17.1 103 109 A K + 0 0 142 -11,-0.3 2,-0.3 -2,-0.1 -2,-0.1 -0.350 52.9 164.2 -69.5 135.5 25.7 36.4 13.5 104 110 A A - 0 0 15 -4,-0.1 2,-0.2 -2,-0.1 31,-0.1 -0.759 24.1-173.8-148.3 92.6 22.9 34.6 11.7 105 111 A E > - 0 0 107 -2,-0.3 3,-2.1 1,-0.2 28,-0.1 -0.496 34.1 -72.8 -98.5 164.2 23.5 34.7 8.0 106 112 A K T 3 S+ 0 0 181 1,-0.3 29,-0.2 -2,-0.2 -1,-0.2 -0.220 115.5 5.0 -51.4 129.2 21.7 33.7 4.9 107 113 A G T 3 S+ 0 0 40 27,-2.9 -1,-0.3 1,-0.3 28,-0.2 0.310 87.3 142.1 80.2 -8.4 21.6 29.9 4.5 108 114 A Q < - 0 0 47 -3,-2.1 28,-2.5 1,-0.1 2,-0.7 -0.464 54.7-121.3 -68.8 141.1 23.3 29.0 7.7 109 115 A K E - f 0 136C 62 -41,-0.2 -39,-2.8 26,-0.2 -38,-2.0 -0.755 37.6-170.7 -88.7 116.2 21.8 25.9 9.3 110 116 A V E -cf 71 137C 0 26,-3.0 28,-2.8 -2,-0.7 29,-0.9 -0.855 20.3-161.2-116.7 140.9 20.5 26.8 12.8 111 117 A V E -cf 72 139C 0 -40,-2.2 -38,-2.8 -2,-0.4 2,-0.4 -0.989 19.8-139.0-113.8 133.7 19.2 24.8 15.7 112 118 A V E -cf 73 140C 0 27,-2.4 29,-2.9 -2,-0.4 2,-0.6 -0.719 7.8-154.4 -89.7 133.3 17.2 26.6 18.3 113 119 A V E +cf 74 141C 1 -40,-2.9 -38,-0.8 -2,-0.4 2,-0.4 -0.959 19.7 179.2-108.3 118.0 17.8 25.8 22.0 114 120 A E E - 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0 0 3 -29,-2.1 -28,-0.1 -2,-0.3 21,-0.1 0.499 40.9-131.1 -79.1 -4.9 4.3 20.3 28.5 147 153 A E + 0 0 59 -30,-0.4 2,-0.2 1,-0.2 -29,-0.1 0.789 42.4 172.7 57.7 33.7 3.1 18.3 25.4 148 154 A L > - 0 0 9 -30,-0.4 4,-2.1 -31,-0.2 3,-0.4 -0.514 38.8-133.5 -74.5 138.2 0.2 20.6 24.8 149 155 A E H > S+ 0 0 88 44,-0.6 4,-2.7 1,-0.2 5,-0.3 0.855 104.4 62.2 -57.4 -37.3 -1.8 20.1 21.6 150 156 A A H > S+ 0 0 45 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.923 108.4 41.3 -56.4 -46.4 -1.7 23.9 20.9 151 157 A G H > S+ 0 0 2 -33,-0.4 4,-2.3 -3,-0.4 5,-0.2 0.899 112.3 54.7 -67.5 -42.7 2.1 23.8 20.7 152 158 A K H X S+ 0 0 114 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.932 111.0 45.3 -57.0 -47.9 2.2 20.6 18.7 153 159 A E H X S+ 0 0 106 -4,-2.7 4,-2.9 2,-0.2 -1,-0.2 0.898 110.6 52.8 -64.9 -43.5 -0.1 22.0 16.0 154 160 A K H X S+ 0 0 88 -4,-2.0 4,-1.3 -5,-0.3 -1,-0.2 0.921 113.4 43.7 -58.5 -46.9 1.7 25.3 15.8 155 161 A L H <>S+ 0 0 12 -4,-2.3 5,-2.6 2,-0.2 4,-0.3 0.891 114.1 50.5 -66.9 -39.8 5.1 23.6 15.2 156 162 A E H ><5S+ 0 0 110 -4,-2.3 3,-1.5 -5,-0.2 -2,-0.2 0.945 110.1 49.9 -61.8 -46.6 3.6 21.0 12.8 157 163 A A H 3<5S+ 0 0 89 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.769 112.8 46.4 -65.4 -28.6 1.9 23.8 10.7 158 164 A A T 3<5S- 0 0 19 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.402 112.4-121.1 -90.4 0.7 5.2 25.8 10.5 159 165 A N T < 5 + 0 0 137 -3,-1.5 2,-0.5 -4,-0.3 -3,-0.2 0.954 58.7 152.5 56.9 51.8 7.1 22.6 9.6 160 166 A V < - 0 0 13 -5,-2.6 2,-0.2 -6,-0.1 -1,-0.2 -0.961 39.5-141.2-116.3 115.0 9.4 22.8 12.6 161 167 A A - 0 0 42 -2,-0.5 -21,-2.5 -23,-0.4 2,-0.4 -0.545 25.0-171.9 -70.5 135.7 10.9 19.6 14.0 162 168 A S E +g 140 0C 42 -2,-0.2 2,-0.4 -23,-0.2 -21,-0.2 -0.995 13.3 179.2-138.9 133.0 11.1 19.7 17.8 163 169 A Y E -g 141 0C 86 -23,-2.1 -21,-2.3 -2,-0.4 2,-0.3 -0.989 9.5-159.9-130.5 142.6 12.7 17.3 20.3 164 170 A S E -g 142 0C 21 -2,-0.4 -21,-0.2 -23,-0.2 -20,-0.1 -0.937 21.5-138.2-123.1 144.4 12.7 17.6 24.1 165 171 A L S S+ 0 0 5 -23,-2.5 2,-0.3 -2,-0.3 -156,-0.2 0.859 92.7 2.3 -65.4 -37.5 15.0 16.0 26.7 166 172 A S S S- 0 0 0 -23,-1.3 -21,-0.4 -24,-0.2 2,-0.3 -0.931 72.7-161.7-143.6 165.7 12.1 15.3 28.9 167 173 A D > - 0 0 17 -2,-0.3 4,-2.3 -23,-0.2 -21,-0.2 -0.924 38.2 -91.9-146.3 172.4 8.4 15.8 28.8 168 174 A Y H > S+ 0 0 5 -23,-1.7 4,-2.9 -2,-0.3 5,-0.2 0.864 119.9 53.9 -54.0 -45.8 5.2 16.0 30.8 169 175 A S H > S+ 0 0 49 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.925 111.3 44.3 -58.8 -47.1 4.4 12.3 30.4 170 176 A A H > S+ 0 0 8 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.894 114.0 50.5 -65.5 -39.2 7.8 11.2 31.7 171 177 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.920 108.7 51.0 -68.5 -41.2 7.7 13.7 34.6 172 178 A T H X S+ 0 0 11 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.919 112.2 48.3 -58.6 -43.6 4.2 12.5 35.6 173 179 A E H X S+ 0 0 110 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.932 113.1 46.1 -65.6 -43.4 5.4 8.9 35.7 174 180 A V H X S+ 0 0 7 -4,-2.4 4,-2.3 1,-0.2 6,-0.2 0.879 109.4 54.8 -66.2 -38.6 8.5 9.7 37.7 175 181 A A H <>S+ 0 0 0 -4,-2.5 5,-1.8 1,-0.2 6,-1.2 0.888 110.4 46.7 -62.6 -36.9 6.5 11.8 40.1 176 182 A A H ><5S+ 0 0 40 -4,-1.9 3,-0.7 2,-0.2 -2,-0.2 0.882 110.3 51.9 -72.0 -40.7 4.2 8.8 40.7 177 183 A E H 3<5S+ 0 0 126 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.881 111.3 48.9 -59.5 -39.9 7.1 6.4 41.1 178 184 A K T 3<5S- 0 0 86 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.544 113.2-119.9 -75.1 -12.5 8.6 8.8 43.7 179 185 A G T < 5S+ 0 0 60 -3,-0.7 -3,-0.2 -4,-0.4 -4,-0.1 0.554 80.6 122.5 80.8 6.2 5.3 9.1 45.6 180 186 A I S - 0 0 33 -2,-0.3 4,-1.8 -3,-0.1 5,-0.1 -0.525 42.4 -77.4-121.7-167.1 -0.6 9.3 43.2 183 189 A Q H > S+ 0 0 181 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.858 125.3 54.9 -65.3 -37.7 -3.2 7.8 40.8 184 190 A A H > S+ 0 0 74 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.909 112.1 43.2 -63.6 -42.2 -5.9 10.4 41.6 185 191 A E H > S+ 0 0 36 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.810 106.7 61.9 -73.6 -30.9 -3.5 13.3 40.8 186 192 A T H X S+ 0 0 24 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.919 102.4 51.5 -60.6 -41.4 -2.3 11.5 37.7 187 193 A K H X S+ 0 0 108 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.897 109.8 48.8 -61.9 -42.2 -5.8 11.6 36.3 188 194 A K H X S+ 0 0 24 -4,-1.3 4,-2.1 2,-0.2 -2,-0.2 0.906 111.5 50.1 -63.0 -43.6 -6.0 15.4 37.0 189 195 A L H X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.893 109.5 51.5 -60.1 -41.1 -2.6 15.9 35.3 190 196 A Q H X S+ 0 0 107 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.908 110.5 48.3 -63.7 -40.9 -3.8 13.9 32.3 191 197 A E H X S+ 0 0 59 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.863 107.7 54.7 -70.1 -35.6 -6.9 16.0 31.9 192 198 A W H < S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.935 106.5 50.9 -61.9 -45.9 -5.0 19.3 32.2 193 199 A R H < S+ 0 0 69 -4,-1.8 -44,-0.6 1,-0.2 -1,-0.2 0.860 111.2 48.9 -61.3 -38.7 -2.7 18.4 29.3 194 200 A K H < S+ 0 0 118 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.854 135.4 8.2 -68.1 -37.2 -5.7 17.5 27.1 195 201 A N >< + 0 0 95 -4,-1.9 3,-1.2 3,-0.1 6,-0.3 -0.606 69.7 172.3-146.1 78.2 -7.6 20.7 27.9 196 202 A P T 3 S+ 0 0 33 0, 0.0 -162,-0.1 0, 0.0 -3,-0.1 0.755 80.5 48.6 -66.0 -24.5 -5.4 23.1 29.8 197 203 A A T 3 S+ 0 0 84 -164,-0.1 2,-0.6 -5,-0.1 -163,-0.1 0.512 93.6 87.0 -91.4 -7.8 -7.8 26.1 29.7 198 204 A D X - 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