==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR 17-SEP-12 4H4C . COMPND 2 MOLECULE: 4-HYDROXY-3-METHYLBUT-2-ENYL DIPHOSPHATE REDUCTAS . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR I.SPAN,W.EISENREICH,J.JAUCH,A.BACHER,M.GROLL . 619 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27673.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 418 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 96 15.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 28 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 200 32.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.5 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 2 0 2 2 0 4 0 0 2 2 2 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 4 8 6 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 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 . 1 0 4 2 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 1 A M 0 0 56 0, 0.0 287,-1.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 135.1 2.2 -11.3 -10.7 2 2 A Q E -a 261 0A 84 258,-3.0 260,-2.6 285,-0.2 2,-0.5 -0.714 360.0-153.9 -91.1 140.7 -0.2 -10.6 -7.9 3 3 A I E -ab 262 290A 0 286,-0.7 288,-3.1 -2,-0.4 2,-0.4 -0.966 12.1-172.6-116.4 126.3 -3.9 -10.6 -8.7 4 4 A L E -ab 263 291A 2 258,-2.2 260,-2.4 -2,-0.5 2,-0.5 -0.908 10.3-149.4-118.9 144.4 -6.2 -8.5 -6.5 5 5 A L E -ab 264 292A 13 286,-2.4 288,-2.8 -2,-0.4 260,-0.2 -0.970 17.3-124.5-117.5 136.1 -9.9 -8.5 -6.7 6 6 A A - 0 0 0 258,-2.3 201,-0.1 -2,-0.5 289,-0.1 -0.242 28.0-118.9 -72.9 152.1 -12.0 -5.5 -5.8 7 7 A N S S+ 0 0 53 1,-0.3 289,-0.5 287,-0.2 2,-0.2 -0.889 93.3 26.6-149.1 120.7 -14.7 -5.7 -3.2 8 8 A P S S+ 0 0 8 0, 0.0 2,-0.3 0, 0.0 -1,-0.3 0.465 88.3 146.2 -74.8 160.4 -17.5 -5.2 -3.7 9 9 A R + 0 0 58 -2,-0.2 258,-0.2 2,-0.1 263,-0.1 -0.932 39.2 18.4-149.2 164.3 -17.6 -6.1 -7.4 10 10 A G S S+ 0 0 8 256,-2.4 256,-0.1 -2,-0.3 259,-0.1 -0.171 95.3 28.2 75.0-161.5 -20.1 -7.7 -9.8 11 11 A F - 0 0 69 259,-0.6 2,-0.2 1,-0.1 258,-0.2 0.091 57.4-163.0 -48.9 133.4 -23.9 -8.2 -9.5 12 12 A C > - 0 0 20 256,-1.1 4,-2.1 1,-0.0 5,-0.2 -0.535 38.8 -94.9-102.7-177.6 -25.9 -5.8 -7.4 13 13 A A H > S+ 0 0 8 1,-0.2 4,-2.2 -2,-0.2 289,-0.4 0.817 120.8 54.5 -75.0 -30.0 -29.4 -6.5 -6.2 14 14 A G H > S+ 0 0 3 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.914 111.6 46.3 -67.8 -42.2 -31.3 -4.8 -9.1 15 15 A V H > S+ 0 0 13 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.900 111.3 50.4 -62.9 -46.0 -29.4 -6.9 -11.7 16 16 A D H X S+ 0 0 79 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.958 114.4 45.4 -68.2 -44.3 -29.8 -10.2 -9.8 17 17 A R H X S+ 0 0 13 -4,-2.2 4,-2.7 -5,-0.2 -1,-0.2 0.922 110.9 51.4 -53.4 -51.4 -33.5 -9.5 -9.5 18 18 A A H X S+ 0 0 0 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.922 113.0 46.7 -60.8 -39.7 -34.0 -8.4 -13.3 19 19 A I H X S+ 0 0 11 -4,-2.8 4,-3.0 1,-0.2 3,-0.3 0.954 111.0 51.3 -70.8 -38.7 -32.2 -11.6 -14.5 20 20 A S H X S+ 0 0 30 -4,-2.3 4,-2.8 -5,-0.3 -1,-0.2 0.873 105.1 57.7 -66.6 -33.0 -34.2 -13.8 -12.2 21 21 A I H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -1,-0.3 0.900 111.5 40.0 -56.9 -49.9 -37.4 -12.1 -13.5 22 22 A V H X S+ 0 0 0 -4,-1.5 4,-2.6 -3,-0.3 -2,-0.2 0.922 116.9 50.2 -67.9 -44.7 -36.6 -13.2 -17.1 23 23 A E H X S+ 0 0 60 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.930 114.2 44.5 -62.8 -42.3 -35.3 -16.6 -16.1 24 24 A N H X S+ 0 0 47 -4,-2.8 4,-2.3 -5,-0.3 -1,-0.2 0.898 110.8 52.7 -72.2 -38.7 -38.4 -17.3 -14.0 25 25 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 5,-0.5 0.899 110.1 50.3 -59.2 -46.2 -40.8 -16.0 -16.7 26 26 A L H X S+ 0 0 17 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.897 112.7 47.0 -54.3 -42.4 -39.1 -18.4 -19.2 27 27 A A H < S+ 0 0 88 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.841 118.9 39.2 -73.5 -27.4 -39.5 -21.2 -16.7 28 28 A I H < S+ 0 0 94 -4,-2.3 -2,-0.2 -5,-0.1 -3,-0.2 0.928 133.3 18.9 -89.3 -45.7 -43.2 -20.5 -15.9 29 29 A Y H < S- 0 0 113 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.560 98.0-132.7-100.4 -18.9 -44.4 -19.5 -19.5 30 30 A G < - 0 0 32 -4,-1.8 -1,-0.2 -5,-0.5 -3,-0.1 0.001 48.6 -9.6 76.9 165.5 -41.8 -21.0 -21.9 31 31 A A S S+ 0 0 66 21,-0.1 23,-0.1 -4,-0.1 22,-0.1 -0.331 100.8 54.3 -64.8 155.1 -40.2 -19.2 -24.8 32 32 A P + 0 0 69 0, 0.0 2,-0.4 0, 0.0 36,-0.3 0.705 57.7 164.4 -80.1 151.5 -40.6 -16.6 -26.3 33 33 A I E -e 54 0B 0 20,-1.6 22,-2.3 34,-0.1 2,-0.3 -0.999 29.7-141.0-119.7 122.3 -40.4 -13.9 -23.4 34 34 A Y E -ef 55 69B 33 34,-2.5 36,-2.3 -2,-0.4 2,-0.4 -0.707 15.1-166.3 -87.8 143.5 -40.0 -10.5 -24.9 35 35 A V E -ef 56 70B 0 20,-2.3 22,-2.7 -2,-0.3 2,-0.9 -0.996 20.1-132.3-127.0 129.0 -37.7 -8.1 -23.0 36 36 A R E S-ef 57 71B 27 34,-2.8 36,-1.6 -2,-0.4 22,-0.2 -0.806 80.3 -16.2 -88.8 106.8 -37.7 -4.4 -23.8 37 37 A H S S- 0 0 25 20,-2.7 20,-0.2 -2,-0.9 36,-0.1 0.308 113.7 -43.7 82.2 157.5 -34.0 -3.5 -24.2 38 38 A E - 0 0 44 1,-0.1 36,-0.3 18,-0.1 35,-0.1 -0.285 59.4-128.1 -46.4 131.5 -31.2 -5.7 -22.9 39 39 A V S S- 0 0 0 1,-0.2 34,-2.3 33,-0.2 2,-0.3 0.904 91.0 -6.7 -61.3 -39.3 -32.4 -6.8 -19.5 40 40 A V S S- 0 0 2 2,-0.2 2,-1.9 32,-0.1 -1,-0.2 -0.925 91.0 -96.5-140.1 166.0 -29.0 -5.6 -18.0 41 41 A H S S+ 0 0 8 -2,-0.3 181,-0.8 -3,-0.1 2,-0.4 -0.478 81.4 113.9 -94.5 73.4 -26.1 -4.4 -20.1 42 42 A N > - 0 0 0 -2,-1.9 4,-2.9 1,-0.1 5,-0.2 -0.944 53.8-154.2-142.0 120.7 -24.0 -7.5 -20.3 43 43 A R H > S+ 0 0 105 -2,-0.4 4,-3.2 1,-0.2 5,-0.3 0.896 97.6 51.7 -58.7 -49.5 -23.4 -9.4 -23.5 44 44 A Y H > S+ 0 0 105 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.946 114.2 43.6 -56.5 -41.0 -22.9 -12.8 -21.7 45 45 A V H > S+ 0 0 9 224,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.957 117.2 45.6 -69.5 -43.6 -26.2 -12.4 -19.8 46 46 A V H X S+ 0 0 2 -4,-2.9 4,-2.6 2,-0.2 5,-0.2 0.941 112.9 49.1 -66.4 -50.0 -28.1 -11.2 -22.9 47 47 A D H X S+ 0 0 77 -4,-3.2 4,-2.0 1,-0.2 -1,-0.2 0.891 112.5 50.1 -60.3 -38.4 -26.7 -13.9 -25.2 48 48 A S H X S+ 0 0 36 -4,-2.2 4,-1.2 -5,-0.3 -1,-0.2 0.897 111.7 45.5 -61.4 -50.8 -27.5 -16.6 -22.6 49 49 A L H <>S+ 0 0 2 -4,-2.1 5,-2.3 -5,-0.2 3,-0.3 0.896 111.4 53.0 -63.9 -37.6 -31.0 -15.5 -22.2 50 50 A R H ><5S+ 0 0 119 -4,-2.6 3,-1.8 1,-0.2 -2,-0.2 0.905 106.7 53.5 -61.1 -43.6 -31.5 -15.2 -26.0 51 51 A E H 3<5S+ 0 0 164 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.757 108.8 50.9 -66.7 -23.0 -30.3 -18.8 -26.4 52 52 A R T 3<5S- 0 0 112 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.372 133.5 -85.3 -95.0 -0.7 -33.0 -19.7 -23.8 53 53 A G T < 5S+ 0 0 19 -3,-1.8 -20,-1.6 1,-0.4 2,-0.4 0.513 79.6 137.5 113.0 7.8 -35.8 -17.9 -25.7 54 54 A A E < -e 33 0B 1 -5,-2.3 2,-0.5 -22,-0.2 -1,-0.4 -0.705 37.1-155.8 -77.0 139.1 -35.8 -14.4 -24.6 55 55 A I E -e 34 0B 67 -22,-2.3 -20,-2.3 -2,-0.4 2,-0.5 -0.965 6.1-151.6-116.9 122.8 -36.3 -11.9 -27.4 56 56 A F E +e 35 0B 25 -2,-0.5 2,-0.3 -22,-0.2 -20,-0.2 -0.789 22.3 171.5-101.4 122.3 -34.8 -8.4 -26.8 57 57 A I E -e 36 0B 6 -22,-2.7 -20,-2.7 -2,-0.5 3,-0.1 -0.817 32.4-148.7-122.9 166.3 -36.6 -5.5 -28.6 58 58 A E S S+ 0 0 90 -2,-0.3 2,-0.3 -22,-0.2 -1,-0.1 0.818 81.8 42.9-103.0 -30.5 -36.4 -1.7 -28.4 59 59 A Q S > S- 0 0 121 1,-0.1 3,-1.8 -23,-0.0 -1,-0.2 -0.866 72.8-130.8-120.3 147.4 -40.0 -0.8 -29.2 60 60 A I G > S+ 0 0 2 -2,-0.3 3,-1.9 1,-0.3 -1,-0.1 0.792 106.2 71.4 -70.3 -22.8 -43.4 -2.3 -28.1 61 61 A S G 3 S+ 0 0 78 1,-0.3 -1,-0.3 3,-0.0 0, 0.0 0.695 89.7 62.1 -65.9 -18.4 -44.4 -2.4 -31.8 62 62 A E G < S+ 0 0 98 -3,-1.8 -1,-0.3 2,-0.1 -2,-0.2 0.364 90.5 86.2 -77.1 3.0 -41.8 -5.3 -32.2 63 63 A V S < S- 0 0 4 -3,-1.9 3,-0.1 -4,-0.1 26,-0.1 -0.916 77.6-130.7-113.4 131.2 -43.9 -7.3 -29.7 64 64 A P > - 0 0 60 0, 0.0 3,-1.3 0, 0.0 -2,-0.1 -0.304 34.6 -87.1 -74.4 155.7 -46.8 -9.5 -30.9 65 65 A D T 3 S+ 0 0 112 1,-0.2 24,-0.0 24,-0.1 22,-0.0 -0.292 112.8 24.3 -50.1 143.7 -50.3 -9.4 -29.3 66 66 A G T 3 S+ 0 0 51 1,-0.3 -1,-0.2 -3,-0.1 23,-0.1 0.389 93.5 134.8 87.5 -4.1 -50.8 -11.8 -26.3 67 67 A A < - 0 0 14 -3,-1.3 23,-2.3 1,-0.1 2,-0.5 -0.313 58.6-119.7 -82.5 162.7 -47.0 -11.9 -25.5 68 68 A I E - g 0 90B 21 -36,-0.3 -34,-2.5 21,-0.2 2,-0.4 -0.896 34.0-167.3 -96.8 132.7 -45.3 -11.6 -22.1 69 69 A L E -fg 34 91B 0 21,-3.0 23,-2.6 -2,-0.5 2,-0.5 -0.978 10.9-160.3-130.8 136.7 -43.1 -8.6 -22.0 70 70 A I E -fg 35 92B 0 -36,-2.3 -34,-2.8 -2,-0.4 2,-0.3 -0.964 15.1-137.9-113.8 131.8 -40.5 -7.7 -19.4 71 71 A F E -fg 36 93B 1 21,-2.1 23,-2.0 -2,-0.5 -34,-0.1 -0.728 34.3-110.8 -82.4 146.2 -39.2 -4.0 -19.0 72 72 A S > - 0 0 1 -36,-1.6 3,-2.0 -2,-0.3 -33,-0.2 -0.049 28.0 -99.0 -75.6 168.5 -35.4 -4.0 -18.5 73 73 A A T 3 S+ 0 0 10 -34,-2.3 23,-2.6 1,-0.3 26,-0.2 0.711 117.9 68.5 -58.5 -24.4 -33.7 -3.1 -15.2 74 74 A H T 3 S- 0 0 19 -36,-0.3 -1,-0.3 -35,-0.3 55,-0.2 0.673 102.8-127.9 -74.4 -18.6 -33.0 0.4 -16.6 75 75 A G < - 0 0 3 -3,-2.0 2,-0.3 54,-0.1 54,-0.2 -0.144 15.8-109.7 95.2 166.2 -36.7 1.4 -16.6 76 76 A V - 0 0 2 53,-0.2 53,-0.1 -5,-0.1 50,-0.0 -0.966 24.8-101.1-140.1 158.5 -39.0 2.8 -19.2 77 77 A S > - 0 0 23 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.253 35.7-111.8 -68.7 155.1 -40.8 6.1 -19.9 78 78 A Q H > S+ 0 0 71 54,-1.9 4,-2.8 51,-0.3 5,-0.2 0.871 120.3 59.2 -47.6 -39.7 -44.5 6.6 -19.1 79 79 A A H > S+ 0 0 71 53,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.948 108.1 43.3 -62.5 -46.8 -45.0 6.6 -23.0 80 80 A V H > S+ 0 0 21 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.950 115.1 49.6 -60.0 -45.0 -43.5 3.1 -23.3 81 81 A R H X S+ 0 0 67 -4,-2.6 4,-2.6 1,-0.3 -2,-0.2 0.901 112.7 46.9 -69.3 -35.9 -45.5 1.9 -20.3 82 82 A N H X S+ 0 0 85 -4,-2.8 4,-2.6 2,-0.2 -1,-0.3 0.869 109.3 53.2 -71.3 -36.4 -48.7 3.3 -21.6 83 83 A E H X S+ 0 0 76 -4,-2.4 4,-0.7 2,-0.2 -2,-0.2 0.941 111.9 46.4 -63.7 -44.8 -48.1 1.8 -25.1 84 84 A A H ><>S+ 0 0 1 -4,-2.9 3,-0.9 1,-0.2 5,-0.6 0.931 113.9 49.1 -58.3 -47.4 -47.6 -1.6 -23.4 85 85 A K H 3<5S+ 0 0 175 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.900 107.6 52.9 -59.3 -41.2 -50.7 -1.0 -21.3 86 86 A S H 3<5S+ 0 0 100 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.611 106.8 71.4 -77.7 -7.2 -52.8 -0.0 -24.3 87 87 A R T <<5S- 0 0 67 -3,-0.9 -22,-0.0 -4,-0.7 -3,-0.0 -0.548 101.2 -95.6 -98.8 173.7 -51.7 -3.3 -26.0 88 88 A D T 5S+ 0 0 107 -2,-0.2 -3,-0.1 2,-0.1 -4,-0.1 0.489 76.6 136.1 -56.4 -3.9 -52.6 -7.0 -25.4 89 89 A L < - 0 0 21 -5,-0.6 2,-0.7 1,-0.1 -21,-0.2 -0.109 55.8-144.9 -80.0 142.7 -49.5 -7.6 -23.2 90 90 A T E -g 68 0B 65 -23,-2.3 -21,-3.0 2,-0.0 2,-0.4 -0.876 37.3-160.8 -84.0 118.1 -48.9 -9.4 -19.9 91 91 A V E -g 69 0B 51 -2,-0.7 2,-0.4 -23,-0.2 -21,-0.2 -0.874 21.2-176.8-108.2 133.5 -46.2 -7.0 -18.5 92 92 A F E -g 70 0B 24 -23,-2.6 -21,-2.1 -2,-0.4 2,-0.7 -0.965 22.0-140.2-115.8 146.1 -43.6 -7.7 -15.7 93 93 A D E +g 71 0B 39 -2,-0.4 -21,-0.1 -23,-0.2 -23,-0.1 -0.900 23.2 176.6-112.6 108.5 -41.4 -4.8 -14.7 94 94 A A + 0 0 0 -23,-2.0 -76,-0.2 -2,-0.7 -22,-0.1 0.317 34.0 139.4 -87.0 9.9 -37.7 -5.6 -14.0 95 95 A T - 0 0 3 1,-0.1 -22,-0.2 -21,-0.1 -21,-0.2 -0.253 64.9-104.2 -55.2 135.4 -36.9 -1.9 -13.4 96 96 A C >> - 0 0 17 -23,-2.6 4,-2.5 1,-0.1 3,-1.4 -0.332 21.8-125.3 -59.8 131.8 -34.5 -1.7 -10.5 97 97 A P H 3> S+ 0 0 26 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.815 111.3 56.9 -45.6 -31.5 -36.3 -0.5 -7.3 98 98 A L H 3> S+ 0 0 46 2,-0.2 4,-0.5 1,-0.2 -2,-0.1 0.630 108.5 45.4 -84.0 -22.4 -33.6 2.3 -7.0 99 99 A V H <> S+ 0 0 4 -3,-1.4 4,-2.3 -26,-0.2 3,-0.5 0.821 109.7 54.8 -77.1 -44.3 -34.5 3.6 -10.5 100 100 A T H X S+ 0 0 43 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.917 102.5 59.4 -56.6 -37.4 -38.2 3.4 -9.8 101 101 A K H X S+ 0 0 104 -4,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.909 108.1 43.7 -53.3 -46.4 -37.4 5.6 -6.7 102 102 A V H >X S+ 0 0 1 -4,-0.5 4,-1.7 -3,-0.5 3,-0.6 0.931 109.2 57.2 -69.8 -39.9 -36.1 8.4 -8.9 103 103 A H H 3X S+ 0 0 9 -4,-2.3 4,-2.7 1,-0.3 5,-0.2 0.900 102.8 56.7 -58.0 -42.3 -39.0 8.0 -11.4 104 104 A M H 3X S+ 0 0 98 -4,-2.5 4,-2.0 1,-0.3 -1,-0.3 0.857 106.9 47.4 -61.9 -32.7 -41.5 8.6 -8.6 105 105 A E H S+ 0 0 7 -4,-2.4 5,-2.1 1,-0.2 4,-0.3 0.901 110.9 53.1 -64.9 -33.3 -42.6 17.2 -9.8 110 110 A S H ><5S+ 0 0 5 -4,-2.0 3,-1.8 1,-0.3 -1,-0.2 0.912 105.0 52.9 -70.6 -45.6 -44.5 16.9 -13.0 111 111 A R H 3<5S+ 0 0 169 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.808 111.5 48.5 -56.8 -30.1 -47.9 16.7 -11.2 112 112 A R T 3<5S- 0 0 150 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.567 106.5-131.7 -81.3 -4.7 -46.7 19.9 -9.5 113 113 A G T < 5 + 0 0 23 -3,-1.8 2,-0.3 -4,-0.3 -3,-0.2 0.715 61.0 142.8 39.7 30.9 -45.8 21.4 -12.9 114 114 A E < - 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0 0 14 1,-0.1 -28,-0.2 -28,-0.1 -2,-0.2 -0.496 58.5-118.4 -62.2 136.9 -26.5 7.3 -7.3 197 197 A C > - 0 0 23 -30,-2.2 4,-2.3 -2,-0.2 5,-0.2 -0.191 14.8-111.5 -85.8 164.1 -27.2 3.9 -6.0 198 198 A Y H > S+ 0 0 56 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.897 116.9 53.2 -58.0 -41.3 -25.4 2.1 -3.2 199 199 A A H > S+ 0 0 1 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.916 110.0 48.2 -69.5 -36.1 -23.8 -0.5 -5.6 200 200 A T H > S+ 0 0 7 -33,-0.2 4,-2.1 1,-0.2 5,-0.2 0.959 114.3 45.1 -65.2 -51.2 -22.4 2.2 -7.8 201 201 A T H X S+ 0 0 45 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.897 115.0 48.2 -56.4 -43.6 -21.0 4.2 -5.0 202 202 A N H X S+ 0 0 14 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.892 110.9 49.7 -71.9 -37.8 -19.5 1.0 -3.4 203 203 A R H X S+ 0 0 1 -4,-2.6 4,-2.6 -5,-0.2 -2,-0.2 0.888 112.4 48.3 -71.2 -31.8 -18.0 -0.3 -6.6 204 204 A Q H X S+ 0 0 4 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.923 111.9 48.7 -64.1 -46.4 -16.3 3.1 -7.3 205 205 A E H X S+ 0 0 76 -4,-2.4 4,-1.7 -5,-0.2 -2,-0.2 0.919 114.8 47.0 -59.5 -44.4 -15.0 3.2 -3.7 206 206 A A H X S+ 0 0 8 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.882 110.2 50.2 -66.9 -39.0 -13.7 -0.4 -4.2 207 207 A V H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.856 107.4 56.7 -68.7 -31.3 -12.1 0.3 -7.6 208 208 A R H X S+ 0 0 85 -4,-2.2 4,-1.2 2,-0.2 -2,-0.2 0.953 110.2 43.9 -60.8 -43.7 -10.4 3.4 -6.0 209 209 A A H X S+ 0 0 47 -4,-1.7 4,-0.7 1,-0.2 3,-0.2 0.907 113.7 51.0 -72.7 -36.5 -8.8 1.1 -3.3 210 210 A L H >X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 3,-1.3 0.926 108.3 51.1 -61.2 -45.9 -7.9 -1.5 -6.0 211 211 A A H 3< S+ 0 0 0 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.714 99.2 66.4 -67.3 -21.1 -6.2 1.2 -8.2 212 212 A E H 3< S+ 0 0 134 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.827 116.2 26.1 -70.8 -27.8 -4.2 2.3 -5.2 213 213 A Q H << S+ 0 0 111 -3,-1.3 2,-0.3 -4,-0.7 -2,-0.2 0.747 110.8 73.0-102.0 -29.6 -2.5 -1.1 -5.3 214 214 A A < - 0 0 0 -4,-2.5 48,-0.2 1,-0.1 3,-0.1 -0.607 57.0-154.8 -98.9 145.7 -2.6 -2.3 -8.8 215 215 A E S S+ 0 0 74 46,-2.7 26,-0.9 -2,-0.3 2,-0.4 0.790 89.8 27.2 -80.2 -34.1 -0.7 -1.1 -11.8 216 216 A V E S-cd 241 262A 4 45,-1.0 47,-3.2 24,-0.2 2,-0.4 -0.982 71.2-158.2-131.7 140.8 -3.4 -2.3 -14.2 217 217 A V E -cd 242 263A 0 24,-2.1 26,-2.1 -2,-0.4 2,-0.5 -0.991 1.6-160.0-121.1 131.8 -7.1 -2.7 -13.6 218 218 A L E -cd 243 264A 0 45,-2.9 47,-2.7 -2,-0.4 2,-0.6 -0.933 6.8-161.5-106.1 128.9 -9.4 -5.0 -15.6 219 219 A V E -cd 244 265A 0 24,-3.1 26,-2.6 -2,-0.5 2,-0.6 -0.964 11.5-144.2-112.8 116.2 -13.1 -4.1 -15.4 220 220 A V E +cd 245 266A 0 45,-2.2 47,-2.7 -2,-0.6 2,-0.3 -0.675 55.0 104.9 -79.9 116.7 -15.4 -7.0 -16.5 221 221 A G - 0 0 0 24,-2.7 -179,-0.1 -2,-0.6 26,-0.1 -0.861 68.5 -91.7 174.4 156.0 -18.3 -5.4 -18.2 222 222 A S > - 0 0 3 -181,-0.8 3,-2.1 -2,-0.3 7,-0.2 -0.377 38.2-111.6 -83.9 161.4 -19.9 -4.6 -21.6 223 223 A K T 3 S+ 0 0 128 1,-0.3 -1,-0.1 -2,-0.1 -181,-0.0 0.744 116.3 52.3 -69.5 -22.7 -19.2 -1.4 -23.6 224 224 A N T 3 S+ 0 0 67 -183,-0.1 2,-0.8 4,-0.0 -1,-0.3 0.294 79.9 109.0 -97.9 7.3 -22.7 -0.2 -23.1 225 225 A S <> - 0 0 1 -3,-2.1 4,-2.4 1,-0.2 5,-0.1 -0.814 51.7-163.3 -84.6 110.7 -22.7 -0.6 -19.3 226 226 A S H > S+ 0 0 10 -2,-0.8 4,-2.0 1,-0.2 -1,-0.2 0.923 88.9 46.6 -52.3 -55.7 -22.7 2.9 -17.8 227 227 A N H > S+ 0 0 19 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.872 111.4 52.2 -64.1 -35.7 -21.6 1.8 -14.4 228 228 A S H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 3,-0.4 0.925 106.9 53.0 -68.8 -37.6 -18.9 -0.4 -15.7 229 229 A N H X S+ 0 0 52 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.894 103.9 57.1 -61.7 -37.8 -17.5 2.4 -17.8 230 230 A R H X S+ 0 0 35 -4,-2.0 4,-2.7 -62,-0.2 -1,-0.2 0.882 103.9 53.1 -62.3 -31.2 -17.3 4.6 -14.6 231 231 A L H X S+ 0 0 2 -4,-1.4 4,-2.1 -3,-0.4 -1,-0.2 0.916 111.7 45.0 -70.2 -45.5 -15.1 2.0 -12.8 232 232 A A H X S+ 0 0 5 -4,-1.8 4,-2.8 2,-0.2 -1,-0.2 0.936 113.7 50.0 -60.8 -46.9 -12.6 1.9 -15.7 233 233 A E H X S+ 0 0 42 -4,-2.5 4,-2.8 -5,-0.2 -2,-0.2 0.953 107.4 54.8 -60.3 -42.3 -12.6 5.7 -16.0 234 234 A L H X S+ 0 0 15 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.926 110.8 43.9 -57.1 -48.0 -12.0 6.0 -12.3 235 235 A A H <>S+ 0 0 0 -4,-2.1 5,-2.1 2,-0.2 -1,-0.2 0.883 112.2 53.4 -62.0 -44.2 -8.9 3.8 -12.4 236 236 A Q H ><5S+ 0 0 105 -4,-2.8 3,-2.3 1,-0.2 -2,-0.2 0.928 105.7 54.7 -57.1 -42.0 -7.6 5.6 -15.6 237 237 A R H 3<5S+ 0 0 140 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.823 102.0 57.1 -60.4 -29.7 -8.0 8.9 -13.7 238 238 A M T 3<5S- 0 0 66 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.422 126.9-101.5 -82.8 2.1 -5.7 7.6 -11.0 239 239 A G T < 5S+ 0 0 65 -3,-2.3 2,-0.4 1,-0.3 -3,-0.2 0.577 80.7 131.2 91.9 10.0 -3.0 7.0 -13.7 240 240 A K < - 0 0 51 -5,-2.1 -1,-0.3 -24,-0.0 2,-0.3 -0.830 65.0-117.1 -98.7 134.8 -3.6 3.2 -14.1 241 241 A R E -c 216 0A 111 -26,-0.9 -24,-2.1 -2,-0.4 2,-0.4 -0.547 45.5-177.6 -57.4 128.4 -4.0 1.5 -17.5 242 242 A A E -c 217 0A 7 -2,-0.3 2,-0.4 -26,-0.2 -24,-0.2 -0.999 12.7-164.5-138.6 135.4 -7.6 0.2 -17.2 243 243 A F E -c 218 0A 41 -26,-2.1 -24,-3.1 -2,-0.4 2,-0.5 -0.987 15.8-143.4-120.8 140.6 -9.5 -1.9 -19.7 244 244 A L E +c 219 0A 21 -2,-0.4 2,-0.4 -26,-0.2 -24,-0.2 -0.804 34.8 172.5 -97.0 123.3 -13.2 -2.7 -19.9 245 245 A I E -c 220 0A 1 -26,-2.6 -24,-2.7 -2,-0.5 3,-0.1 -0.983 36.3-149.6-139.6 143.6 -13.5 -6.3 -21.2 246 246 A D S S- 0 0 9 -2,-0.4 2,-0.3 -26,-0.2 -202,-0.1 0.775 78.8 -10.5 -78.5 -36.8 -16.4 -8.7 -21.7 247 247 A D S > S- 0 0 37 -26,-0.1 3,-2.2 30,-0.1 4,-0.3 -0.963 79.0 -82.6-159.0 174.0 -14.4 -11.8 -21.0 248 248 A A G > S+ 0 0 17 -2,-0.3 3,-1.7 1,-0.3 -1,-0.0 0.772 116.0 69.4 -58.5 -30.3 -11.1 -13.4 -20.6 249 249 A K G 3 S+ 0 0 191 1,-0.3 -1,-0.3 3,-0.0 29,-0.0 0.726 91.4 61.9 -53.2 -27.5 -10.6 -13.6 -24.5 250 250 A D G < S+ 0 0 52 -3,-2.2 2,-0.4 2,-0.1 -1,-0.3 0.580 75.5 109.9 -84.7 -11.2 -10.3 -9.9 -24.6 251 251 A I < - 0 0 10 -3,-1.7 2,-0.4 -4,-0.3 3,-0.0 -0.499 56.9-155.4 -73.4 120.6 -7.2 -9.8 -22.4 252 252 A Q >> - 0 0 117 -2,-0.4 3,-1.2 1,-0.1 4,-0.5 -0.802 15.4-135.7 -90.6 132.9 -4.1 -8.8 -24.5 253 253 A E H >> S+ 0 0 107 -2,-0.4 4,-1.6 1,-0.2 3,-1.2 0.838 100.1 67.5 -66.6 -21.5 -0.9 -10.1 -22.9 254 254 A E H 34 S+ 0 0 110 1,-0.3 -1,-0.2 2,-0.2 -3,-0.0 0.861 90.9 65.8 -57.5 -32.5 0.9 -6.8 -23.5 255 255 A W H <4 S+ 0 0 19 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.807 114.8 27.1 -63.1 -30.7 -1.4 -5.2 -20.9 256 256 A V H X< S+ 0 0 8 -3,-1.2 3,-2.0 -4,-0.5 -1,-0.2 0.485 83.7 132.0-116.2 -0.4 0.0 -7.4 -18.2 257 257 A K T 3< S- 0 0 138 -4,-1.6 3,-0.1 1,-0.3 29,-0.0 -0.220 90.8 -7.5 -47.2 122.2 3.6 -8.1 -19.4 258 258 A E T 3 S+ 0 0 180 1,-0.2 2,-0.5 2,-0.1 -1,-0.3 0.804 97.8 142.3 58.0 21.6 6.1 -7.5 -16.4 259 259 A V < - 0 0 19 -3,-2.0 -1,-0.2 1,-0.1 3,-0.2 -0.857 37.7-163.0 -84.9 133.8 3.2 -6.0 -14.4 260 260 A K S S+ 0 0 157 -2,-0.5 -258,-3.0 1,-0.3 2,-0.3 0.680 74.0 27.6 -93.5 -22.1 3.6 -7.0 -10.8 261 261 A C E -a 2 0A 10 -260,-0.2 -46,-2.7 26,-0.0 -45,-1.0 -0.926 63.8-179.5-144.8 117.6 0.1 -6.4 -9.5 262 262 A V E -ad 3 216A 0 -260,-2.6 -258,-2.2 -2,-0.3 2,-0.4 -0.930 14.4-152.4-115.1 135.6 -3.1 -6.5 -11.7 263 263 A G E -ad 4 217A 0 -47,-3.2 -45,-2.9 -2,-0.4 2,-0.4 -0.894 5.7-161.1-110.9 151.4 -6.5 -5.7 -10.2 264 264 A V E +ad 5 218A 0 -260,-2.4 -258,-2.3 -2,-0.4 2,-0.2 -0.985 17.1 159.7-128.5 134.6 -9.8 -7.1 -11.4 265 265 A T E - 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