==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 21-MAY-12 4AUT . COMPND 2 MOLECULE: DECAPRENYL-PHOSPHORYL-BETA-D-RIBOFURANOSE-2- . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM SMEGMATIS; . AUTHOR J.NERES,F.POJER,E.MOLTENI,L.R.CHIARELLI,N.DHAR,S.BOY-ROTTGER . 419 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17088.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 290 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 82 19.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 36 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 20.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 2 3 1 2 1 2 0 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 0 0 0 PARALLEL BRIDGES PER LADDER . 2 2 0 2 2 4 1 0 1 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 0 2 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 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 14 A F 0 0 94 0, 0.0 2,-1.0 0, 0.0 23,-0.0 0.000 360.0 360.0 360.0 100.9 17.0 31.1 50.6 2 15 A P + 0 0 103 0, 0.0 21,-0.8 0, 0.0 2,-0.4 -0.552 360.0 160.4 -55.1 100.2 20.6 31.6 49.8 3 16 A T E -A 22 0A 65 -2,-1.0 2,-0.3 19,-0.2 19,-0.2 -0.975 25.1-167.4-128.0 145.3 22.0 28.3 51.3 4 17 A T E -A 21 0A 81 17,-2.3 17,-3.4 -2,-0.4 2,-0.5 -0.862 28.0-115.7-118.4 163.6 25.2 26.4 50.8 5 18 A T E +A 20 0A 101 -2,-0.3 2,-0.4 15,-0.2 15,-0.2 -0.894 40.7 178.8 -99.1 125.1 26.0 22.9 52.0 6 19 A K E -A 19 0A 87 13,-2.5 13,-2.1 -2,-0.5 2,-0.6 -0.993 34.5-129.5-131.6 137.8 28.8 22.8 54.5 7 20 A R E -A 18 0A 179 -2,-0.4 2,-0.3 11,-0.2 11,-0.2 -0.784 40.7-162.7 -73.9 118.5 30.7 20.2 56.6 8 21 A L E +A 17 0A 14 9,-2.8 9,-2.0 -2,-0.6 2,-0.3 -0.856 18.8 169.0-113.5 147.8 30.5 21.6 60.1 9 22 A M - 0 0 58 -2,-0.3 6,-0.1 7,-0.2 46,-0.1 -0.968 29.9-118.3-150.5 150.2 32.5 20.9 63.3 10 23 A G > - 0 0 8 4,-0.6 3,-2.5 -2,-0.3 44,-0.3 -0.238 49.8 -82.6 -81.4-177.9 32.9 22.6 66.7 11 24 A W T 3 S+ 0 0 85 42,-3.9 43,-0.2 1,-0.3 44,-0.1 0.803 128.6 64.9 -62.8 -26.0 36.1 23.9 68.1 12 25 A G T 3 S- 0 0 9 42,-2.2 -1,-0.3 41,-0.2 280,-0.2 0.590 101.0-136.4 -71.8 -8.7 37.1 20.4 69.2 13 26 A R < + 0 0 171 -3,-2.5 2,-0.3 41,-0.3 -2,-0.1 0.894 60.8 125.5 57.8 36.2 37.1 19.4 65.5 14 27 A T + 0 0 43 40,-0.4 -4,-0.6 1,-0.2 -1,-0.2 -0.814 57.0 15.9-117.0 168.1 35.3 16.1 66.3 15 28 A A S S- 0 0 60 -2,-0.3 -1,-0.2 1,-0.1 -5,-0.1 0.841 74.0-165.3 41.1 58.4 32.1 14.6 65.0 16 29 A P - 0 0 51 0, 0.0 2,-0.3 0, 0.0 -7,-0.2 -0.453 7.8-175.6 -66.3 147.0 31.7 16.7 61.8 17 30 A T E -A 8 0A 40 -9,-2.0 -9,-2.8 -11,-0.1 2,-0.4 -0.886 22.9-118.9-123.8 168.8 28.2 16.5 60.1 18 31 A V E +A 7 0A 78 -2,-0.3 44,-3.8 -11,-0.2 2,-0.3 -0.882 40.3 156.7-105.0 142.5 27.0 18.1 56.9 19 32 A A E -A 6 0A 4 -13,-2.1 -13,-2.5 -2,-0.4 2,-0.5 -0.969 45.2 -94.1-147.9 171.1 24.1 20.6 56.8 20 33 A S E -Ab 5 64A 43 43,-2.4 45,-3.6 -2,-0.3 2,-0.5 -0.792 39.5-157.2 -88.9 125.4 22.5 23.4 54.9 21 34 A V E -Ab 4 65A 6 -17,-3.4 -17,-2.3 -2,-0.5 2,-0.6 -0.944 6.6-162.6-113.1 124.9 23.7 26.8 56.0 22 35 A L E -Ab 3 66A 1 43,-1.8 45,-2.6 -2,-0.5 2,-0.5 -0.921 9.0-176.0 -92.1 117.6 21.7 29.9 55.5 23 36 A S + 0 0 51 -21,-0.8 2,-0.3 -2,-0.6 45,-0.1 -0.988 17.8 145.0-116.4 128.4 23.7 33.2 55.9 24 37 A T - 0 0 25 -2,-0.5 46,-0.1 43,-0.4 -2,-0.0 -0.989 46.6-145.4-149.3 146.2 21.9 36.5 55.6 25 38 A S S S+ 0 0 91 -2,-0.3 48,-0.1 46,-0.1 3,-0.1 0.371 82.1 94.3 -90.4 8.0 22.1 39.9 57.2 26 39 A D >> - 0 0 73 1,-0.2 4,-1.0 45,-0.0 3,-0.9 -0.868 62.6-160.1-107.2 109.7 18.4 40.1 56.9 27 40 A P H 3> S+ 0 0 51 0, 0.0 4,-2.5 0, 0.0 3,-0.3 0.811 92.6 63.4 -51.1 -31.8 16.4 39.0 60.1 28 41 A E H 3> S+ 0 0 103 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.889 95.9 53.8 -62.9 -47.1 13.4 38.5 57.8 29 42 A V H <> S+ 0 0 21 -3,-0.9 4,-1.4 1,-0.2 -1,-0.3 0.814 109.7 50.9 -60.0 -28.9 15.0 35.8 55.7 30 43 A I H X S+ 0 0 1 -4,-1.0 4,-2.1 -3,-0.3 -2,-0.2 0.935 106.4 52.0 -76.8 -46.3 15.7 34.0 59.0 31 44 A V H X S+ 0 0 23 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.901 112.3 48.4 -51.7 -41.0 12.0 34.2 60.2 32 45 A R H X S+ 0 0 117 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.872 105.6 57.0 -69.2 -35.2 11.0 32.8 56.9 33 46 A A H < S+ 0 0 3 -4,-1.4 4,-0.4 1,-0.2 -2,-0.2 0.909 107.7 50.4 -56.9 -40.5 13.6 30.0 57.2 34 47 A V H >X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 3,-1.0 0.910 107.5 49.3 -67.8 -48.1 11.9 29.0 60.5 35 48 A T H 3< S+ 0 0 62 -4,-1.8 -1,-0.2 1,-0.2 5,-0.2 0.897 107.2 55.2 -63.7 -36.7 8.3 28.8 59.2 36 49 A R T 3X S+ 0 0 135 -4,-1.9 4,-1.0 1,-0.2 -1,-0.2 0.615 113.0 45.0 -70.0 -9.7 9.3 26.6 56.2 37 50 A A H <> S+ 0 0 16 -3,-1.0 4,-2.7 -4,-0.4 -2,-0.2 0.722 103.3 60.8 -97.4 -32.2 10.8 24.3 58.8 38 51 A A H < S+ 0 0 49 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.1 0.205 118.1 34.1 -74.8 15.1 7.8 24.5 61.1 39 52 A E H 4 S+ 0 0 142 -5,-0.1 -2,-0.2 -3,-0.1 -1,-0.2 0.469 119.8 46.3-134.4 -49.4 6.0 23.0 58.0 40 53 A E H < S- 0 0 130 -4,-1.0 -3,-0.2 -5,-0.2 -2,-0.2 0.950 81.9-167.8 -59.2 -52.5 8.6 20.7 56.5 41 54 A G < + 0 0 60 -4,-2.7 -3,-0.1 -5,-0.0 -4,-0.1 0.874 31.2 142.3 57.2 40.7 9.4 19.3 59.9 42 55 A G S S- 0 0 62 -5,-0.2 21,-0.1 367,-0.1 3,-0.1 0.375 76.6 -37.1 -75.1-133.8 12.6 17.6 58.7 43 56 A R S S- 0 0 121 19,-0.4 20,-0.2 1,-0.2 2,-0.1 0.537 92.5-125.9 -76.9 -5.5 15.7 17.5 61.0 44 57 A G - 0 0 8 18,-0.1 20,-2.5 -7,-0.1 2,-0.4 -0.361 21.7 -74.4 96.7-172.1 15.1 21.0 62.3 45 58 A V E -cd 64 410A 0 364,-3.6 366,-1.5 18,-0.2 2,-0.3 -0.955 32.9-177.0-126.9 148.8 17.0 24.3 62.7 46 59 A I E -c 65 0A 0 18,-2.2 20,-2.2 -2,-0.4 2,-0.2 -0.993 23.7-126.2-141.6 141.0 19.9 25.5 64.9 47 60 A A E -c 66 0A 25 -2,-0.3 2,-0.4 126,-0.3 20,-0.2 -0.549 22.6-163.9 -73.1 144.7 21.7 28.9 65.2 48 61 A R E -c 67 0A 34 18,-3.0 20,-2.4 -2,-0.2 70,-0.1 -0.998 7.8-176.5-128.1 136.1 25.4 28.9 64.9 49 62 A G S S- 0 0 15 -2,-0.4 -1,-0.1 19,-0.2 40,-0.1 0.386 70.4 -38.5 -93.4-121.0 27.6 31.8 66.0 50 63 A L S S- 0 0 46 18,-0.1 17,-0.0 19,-0.1 64,-0.0 0.403 77.6-118.5 -92.9 7.0 31.4 31.7 65.5 51 64 A G + 0 0 10 1,-0.1 -40,-0.2 -41,-0.0 64,-0.1 0.833 68.1 138.5 70.5 27.9 31.6 28.0 66.3 52 65 A R + 0 0 75 62,-0.1 -1,-0.1 -42,-0.1 -42,-0.1 0.583 37.3 106.2 -83.8 -10.2 33.9 28.4 69.3 53 66 A S S S- 0 0 26 1,-0.1 -42,-3.9 -42,-0.1 -41,-0.2 -0.445 71.8-136.9 -66.8 146.3 32.0 25.8 71.3 54 67 A Y S S+ 0 0 27 323,-3.4 -42,-2.2 -44,-0.3 -40,-0.4 0.865 76.3 38.3 -76.7 -33.2 34.0 22.7 71.4 55 68 A G S S- 0 0 3 321,-0.4 325,-0.2 322,-0.3 3,-0.2 0.477 104.2 -67.5-101.9-129.1 31.4 20.0 70.8 56 69 A D S > S+ 0 0 13 323,-0.6 358,-1.7 1,-0.1 3,-0.8 -0.053 83.4 110.5-128.8 23.6 28.3 19.7 68.7 57 70 A N T 3 S+ 0 0 11 1,-0.2 -1,-0.1 319,-0.2 358,-0.1 0.644 80.5 50.6 -78.5 -17.0 25.7 22.2 70.0 58 71 A A T 3 S+ 0 0 16 -3,-0.2 2,-0.3 -5,-0.1 -1,-0.2 -0.122 100.6 75.3-115.1 28.2 25.8 24.5 67.0 59 72 A Q < - 0 0 1 -3,-0.8 354,-2.2 -51,-0.1 355,-0.4 -0.972 51.3-168.5-137.8 161.9 25.4 21.9 64.3 60 73 A N > - 0 0 0 -2,-0.3 3,-2.6 352,-0.3 -40,-0.2 -0.813 25.5-135.0-152.7 89.3 22.5 19.9 63.0 61 74 A G T 3 S- 0 0 7 1,-0.3 -42,-0.2 -2,-0.3 3,-0.1 -0.254 90.0 -1.0 -56.0 129.9 23.4 17.0 60.6 62 75 A G T 3 S+ 0 0 57 -44,-3.8 -19,-0.4 1,-0.2 -1,-0.3 0.652 121.6 94.0 61.0 16.8 21.2 16.9 57.6 63 76 A G S < S- 0 0 10 -3,-2.6 -43,-2.4 -45,-0.3 2,-0.5 -0.280 84.7 -74.5-112.5-160.4 19.3 19.9 59.0 64 77 A L E -bc 20 45A 29 -20,-2.5 -18,-2.2 -45,-0.2 2,-0.5 -0.929 38.1-168.7-103.6 123.9 19.3 23.7 58.6 65 78 A V E -bc 21 46A 0 -45,-3.6 -43,-1.8 -2,-0.5 2,-0.7 -0.931 13.0-144.7-112.0 125.1 22.0 25.8 60.3 66 79 A I E -bc 22 47A 0 -20,-2.2 -18,-3.0 -2,-0.5 2,-1.6 -0.787 8.8-143.5 -89.5 116.7 21.7 29.6 60.5 67 80 A D E > - c 0 48A 40 -45,-2.6 3,-1.2 -2,-0.7 -43,-0.4 -0.606 22.5-178.7 -77.1 82.8 25.1 31.4 60.2 68 81 A M G > + 0 0 7 -20,-2.4 3,-2.3 -2,-1.6 21,-0.3 0.737 65.4 78.6 -62.1 -29.7 24.3 34.2 62.7 69 82 A P G 3 S+ 0 0 24 0, 0.0 -1,-0.2 0, 0.0 3,-0.2 0.791 86.1 64.7 -49.8 -27.1 27.7 36.1 62.4 70 83 A A G < S+ 0 0 31 -3,-1.2 2,-0.9 1,-0.2 -2,-0.2 0.682 93.1 64.4 -66.4 -20.0 26.3 37.6 59.0 71 84 A L S < S+ 0 0 1 -3,-2.3 18,-1.6 -4,-0.2 19,-0.3 -0.640 70.8 134.1-104.3 72.1 23.7 39.3 61.2 72 85 A N + 0 0 75 -2,-0.9 2,-0.4 17,-0.2 19,-0.1 -0.331 17.0 138.6-127.7 51.3 26.2 41.5 63.0 73 86 A R - 0 0 156 -48,-0.1 14,-2.8 17,-0.1 2,-0.5 -0.801 43.9-139.6-103.7 138.8 25.0 45.0 63.3 74 87 A I E -E 86 0B 41 -2,-0.4 12,-0.2 12,-0.2 3,-0.1 -0.818 14.7-170.1 -88.5 129.9 25.2 47.2 66.3 75 88 A H E - 0 0 44 10,-3.1 2,-0.3 -2,-0.5 11,-0.2 0.875 60.1 -21.3 -92.2 -36.3 22.1 49.2 66.7 76 89 A S E -E 85 0B 62 9,-1.5 9,-2.9 2,-0.0 2,-0.4 -0.964 43.5-154.7-174.2 156.9 23.1 51.6 69.4 77 90 A I E -E 84 0B 33 -2,-0.3 2,-0.5 7,-0.2 7,-0.2 -0.990 14.4-170.5-142.4 117.4 25.5 52.3 72.4 78 91 A D E >> -E 83 0B 73 5,-2.7 4,-2.3 -2,-0.4 5,-0.6 -0.857 17.3-171.9-123.2 102.3 24.5 54.5 75.2 79 92 A S T 45S+ 0 0 63 -2,-0.5 -1,-0.1 2,-0.2 5,-0.0 0.857 90.6 61.2 -48.8 -39.6 27.1 55.7 77.9 80 93 A G T 45S+ 0 0 62 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.976 120.8 17.6 -49.3 -75.0 24.1 57.2 79.8 81 94 A T T 45S- 0 0 69 2,-0.1 -1,-0.2 1,-0.1 -2,-0.2 0.500 98.7-129.1 -78.5 -10.7 22.0 54.0 80.4 82 95 A R T <5 + 0 0 107 -4,-2.3 103,-3.1 1,-0.2 2,-0.2 0.535 62.8 140.6 70.2 7.4 25.1 51.7 79.7 83 96 A L E < -EF 78 184B 33 -5,-0.6 -5,-2.7 101,-0.2 2,-0.4 -0.589 35.8-169.0 -92.9 144.9 22.9 49.8 77.3 84 97 A V E -EF 77 183B 0 99,-1.8 99,-2.1 -2,-0.2 2,-0.5 -0.988 9.4-152.9-131.0 134.6 24.0 48.4 74.0 85 98 A D E +EF 76 182B 27 -9,-2.9 -10,-3.1 -2,-0.4 -9,-1.5 -0.963 28.6 170.0-117.2 117.7 21.5 47.1 71.4 86 99 A V E -EF 74 181B 0 95,-3.1 95,-2.8 -2,-0.5 -12,-0.2 -0.976 40.5-112.2-138.4 139.6 23.0 44.4 69.2 87 100 A D E > - F 0 180B 11 -14,-2.8 3,-1.5 -2,-0.4 93,-0.3 -0.323 43.0-114.7 -54.6 154.7 22.3 41.8 66.5 88 101 A A T 3 S+ 0 0 2 91,-1.9 30,-3.1 1,-0.3 31,-0.4 0.726 112.0 61.2 -71.5 -21.1 22.9 38.4 68.0 89 102 A G T 3 S+ 0 0 3 -18,-1.6 -1,-0.3 90,-0.3 2,-0.2 0.358 73.5 118.2 -88.4 2.4 25.8 37.7 65.6 90 103 A V < - 0 0 0 -3,-1.5 27,-2.5 -19,-0.3 28,-0.2 -0.589 65.6-125.5 -70.9 131.7 27.9 40.7 66.8 91 104 A S B > -I 116 0C 17 25,-0.3 4,-3.0 -2,-0.2 25,-0.2 -0.508 10.0-128.6 -61.7 143.7 31.3 39.4 68.2 92 105 A L H > S+ 0 0 0 23,-2.3 4,-2.8 21,-0.6 5,-0.2 0.827 115.9 57.6 -58.9 -33.7 32.3 40.5 71.7 93 106 A D H > S+ 0 0 23 20,-1.8 4,-2.1 22,-0.3 -1,-0.2 0.966 109.8 41.2 -58.7 -54.5 35.5 41.5 69.9 94 107 A Q H > S+ 0 0 59 19,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.901 118.1 48.9 -56.1 -46.5 33.5 43.8 67.5 95 108 A L H X S+ 0 0 0 -4,-3.0 4,-2.3 2,-0.2 -2,-0.2 0.901 107.9 51.9 -63.5 -42.9 31.4 45.0 70.5 96 109 A M H X S+ 0 0 2 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.948 111.7 48.3 -61.6 -44.5 34.3 45.7 72.8 97 110 A K H < S+ 0 0 101 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.891 114.1 45.6 -57.8 -46.1 35.9 47.9 70.0 98 111 A A H < S+ 0 0 36 -4,-2.3 4,-0.3 1,-0.2 -1,-0.2 0.806 118.6 42.5 -68.0 -30.0 32.7 49.8 69.4 99 112 A A H ><>S+ 0 0 0 -4,-2.3 5,-1.2 -5,-0.2 3,-0.7 0.723 93.7 77.5 -93.1 -22.7 32.0 50.3 73.1 100 113 A L G ><5S+ 0 0 3 -4,-2.1 3,-2.7 1,-0.2 4,-0.2 0.925 90.0 55.8 -57.9 -45.6 35.4 51.2 74.5 101 114 A P G 3 5S+ 0 0 96 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.843 104.2 57.4 -57.1 -26.2 35.4 54.8 73.2 102 115 A H G < 5S- 0 0 81 -3,-0.7 -2,-0.2 -4,-0.3 3,-0.1 0.292 121.1-107.1 -86.9 11.8 32.1 55.2 75.1 103 116 A G T < 5S+ 0 0 16 -3,-2.7 85,-1.6 1,-0.2 2,-0.4 0.895 78.3 133.8 68.3 38.0 33.7 54.2 78.5 104 117 A L E < -J 187 0D 2 -5,-1.2 2,-0.4 -4,-0.2 -1,-0.2 -0.967 40.4-159.3-131.6 141.5 31.9 50.9 78.3 105 118 A W E -J 186 0D 2 81,-2.5 81,-3.1 -2,-0.4 -9,-0.1 -0.964 30.5-109.2-128.8 132.4 33.2 47.4 79.0 106 119 A V - 0 0 0 -2,-0.4 3,-0.2 79,-0.2 79,-0.1 -0.399 35.7-138.4 -61.4 126.9 31.8 44.0 77.9 107 120 A P S S+ 0 0 1 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 0.735 81.8 24.3 -75.0 -21.9 30.5 42.8 81.2 108 121 A V S S- 0 0 0 18,-0.1 17,-0.1 28,-0.0 27,-0.0 -0.951 70.9-173.1-142.0 117.9 31.6 39.1 81.0 109 122 A L - 0 0 1 -2,-0.4 19,-0.7 -3,-0.2 20,-0.2 -0.955 8.8-154.3-116.9 125.7 34.5 38.1 78.7 110 123 A P - 0 0 22 0, 0.0 17,-0.1 0, 0.0 174,-0.1 -0.185 45.1 -84.9 -74.4-179.0 35.6 34.6 78.0 111 124 A G S S+ 0 0 19 172,-0.2 2,-0.4 2,-0.1 16,-0.1 0.519 116.7 42.7 -73.0 -12.5 39.2 33.7 77.0 112 125 A T - 0 0 56 1,-0.1 -20,-0.1 173,-0.0 173,-0.0 -0.994 66.5-154.0-126.6 146.0 38.5 34.4 73.3 113 126 A R S S+ 0 0 36 -2,-0.4 2,-2.1 1,-0.1 -20,-1.8 0.493 74.2 97.1 -91.5 -3.1 36.6 37.4 72.0 114 127 A Q + 0 0 67 -22,-0.2 2,-0.4 -23,-0.1 -1,-0.1 -0.417 60.0 109.3 -78.4 61.9 35.5 35.6 68.8 115 128 A V - 0 0 19 -2,-2.1 -23,-2.3 -64,-0.1 -22,-0.3 -0.990 67.2-123.0-135.2 142.7 32.2 34.6 70.2 116 129 A T B > -I 91 0C 3 -2,-0.4 4,-2.1 -25,-0.2 -25,-0.3 -0.500 22.5-116.4 -80.1 157.6 28.8 36.1 69.2 117 130 A V H > S+ 0 0 0 -27,-2.5 4,-1.7 -30,-0.3 -28,-0.2 0.861 118.9 54.0 -52.7 -41.1 26.4 37.7 71.6 118 131 A G H > S+ 0 0 15 -30,-3.1 4,-3.6 2,-0.2 -1,-0.2 0.926 109.4 44.5 -64.2 -46.9 24.0 34.9 70.7 119 132 A G H > S+ 0 0 32 -31,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.810 109.4 57.9 -66.6 -29.9 26.5 32.1 71.6 120 133 A A H <>S+ 0 0 0 -4,-2.1 5,-2.3 2,-0.2 4,-0.3 0.880 115.3 36.5 -63.1 -41.1 27.5 34.0 74.8 121 134 A I H ><5S+ 0 0 0 -4,-1.7 49,-2.9 3,-0.2 3,-0.8 0.904 113.0 58.7 -77.0 -44.3 23.9 33.9 75.8 122 135 A G H 3<5S+ 0 0 9 -4,-3.6 50,-2.7 1,-0.3 -2,-0.2 0.868 119.9 28.8 -54.6 -41.1 23.4 30.3 74.3 123 136 A C T 3<5S- 0 0 7 -4,-2.5 216,-0.4 48,-0.2 -1,-0.3 0.459 103.0-128.8 -97.4 4.5 26.1 28.9 76.6 124 137 A D T < 5 - 0 0 0 -3,-0.8 -3,-0.2 -4,-0.3 215,-0.1 0.975 39.1-148.9 45.3 62.1 25.7 31.4 79.4 125 138 A I < - 0 0 15 -5,-2.3 11,-2.5 10,-0.2 2,-0.3 -0.064 15.5-157.0 -70.6 160.3 29.4 32.1 79.3 126 139 A H - 0 0 24 9,-0.2 2,-0.2 10,-0.1 9,-0.1 -0.889 6.3-165.7-129.1 168.4 31.5 33.1 82.3 127 140 A G > - 0 0 7 7,-0.4 3,-1.5 -2,-0.3 6,-0.1 -0.676 47.6 -70.8-137.9-168.6 34.8 34.8 82.6 128 141 A K T 3 S+ 0 0 4 -19,-0.7 93,-2.3 1,-0.3 3,-0.3 0.703 126.4 60.3 -62.1 -18.8 37.6 35.5 85.0 129 142 A N T >> + 0 0 5 91,-0.2 4,-2.7 -20,-0.2 3,-1.2 0.039 65.8 121.5 -98.6 29.6 35.2 37.8 86.8 130 143 A H H <> S+ 0 0 1 -3,-1.5 4,-2.2 1,-0.3 -1,-0.2 0.916 70.7 54.2 -60.1 -43.5 32.6 35.2 87.6 131 144 A H H 34 S+ 0 0 39 -3,-0.3 -1,-0.3 197,-0.3 -2,-0.1 0.644 120.6 32.9 -66.3 -13.4 32.8 35.6 91.4 132 145 A S H <4 S+ 0 0 60 -3,-1.2 -2,-0.2 87,-0.4 -1,-0.2 0.763 135.0 19.9-107.8 -26.9 32.1 39.3 91.0 133 146 A A H < S- 0 0 21 -4,-2.7 -3,-0.2 1,-0.3 -2,-0.2 0.459 88.4-141.7-122.5 -7.5 29.8 39.6 88.0 134 147 A G < - 0 0 6 -4,-2.2 -7,-0.4 -5,-0.4 -1,-0.3 -0.307 48.4 -38.7 67.4-157.6 28.2 36.1 87.4 135 148 A S > - 0 0 1 -9,-0.1 3,-1.1 205,-0.1 4,-0.4 -0.245 64.9 -89.6 -99.9-178.9 27.8 34.9 83.9 136 149 A F G > S+ 0 0 0 -11,-2.5 3,-2.1 1,-0.3 4,-0.3 0.879 119.9 63.5 -62.5 -39.0 26.8 36.6 80.6 137 150 A G G > S+ 0 0 1 1,-0.3 3,-1.6 -17,-0.2 -1,-0.3 0.802 91.4 66.1 -52.6 -34.2 23.0 36.0 81.2 138 151 A N G < S+ 0 0 66 -3,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.703 102.4 48.7 -63.2 -18.7 23.1 38.2 84.3 139 152 A H G < S+ 0 0 29 -3,-2.1 45,-2.9 -4,-0.4 2,-0.4 0.447 83.5 110.0-103.7 3.0 23.9 41.1 82.1 140 153 A V E < -G 183 0B 5 -3,-1.6 43,-0.2 -4,-0.3 3,-0.1 -0.628 38.8-179.0 -86.6 128.1 21.1 40.6 79.5 141 154 A R E - 0 0 102 41,-3.5 2,-0.3 1,-0.4 42,-0.2 0.858 67.7 -19.9 -90.5 -44.6 18.3 43.2 79.6 142 155 A S E -G 182 0B 13 40,-1.5 40,-3.0 14,-0.2 -1,-0.4 -0.985 53.6-162.1-157.8 162.4 16.4 41.8 76.8 143 156 A M E -GH 181 155B 0 12,-1.9 12,-3.1 -2,-0.3 2,-0.7 -0.974 20.9-132.7-141.2 152.9 16.5 39.5 73.8 144 157 A E E -GH 180 154B 42 36,-2.5 35,-3.0 -2,-0.3 36,-0.8 -0.945 29.1-165.0-103.4 110.8 14.3 39.0 70.8 145 158 A L E -GH 178 153B 0 8,-2.8 8,-2.6 -2,-0.7 2,-0.8 -0.901 14.1-144.5-105.2 117.8 13.8 35.3 70.4 146 159 A L E -GH 177 152B 0 31,-3.5 31,-1.7 -2,-0.6 6,-0.2 -0.692 27.3-159.2 -75.7 110.9 12.5 33.9 67.1 147 160 A T > - 0 0 0 4,-3.2 3,-1.3 -2,-0.8 29,-0.1 -0.404 29.9-100.0 -92.8 168.1 10.3 30.9 68.2 148 161 A A T 3 S+ 0 0 6 256,-0.7 -110,-0.1 1,-0.3 257,-0.1 0.771 119.4 65.0 -63.3 -31.5 9.1 27.9 66.2 149 162 A N T 3 S- 0 0 98 255,-0.4 -1,-0.3 2,-0.1 3,-0.1 0.131 121.7-110.2 -70.1 18.3 5.6 29.3 65.6 150 163 A G S < S+ 0 0 13 -3,-1.3 2,-0.3 1,-0.2 -2,-0.2 0.474 76.4 137.0 67.1 1.7 7.7 31.9 63.6 151 164 A E - 0 0 91 -5,-0.0 -4,-3.2 1,-0.0 2,-0.7 -0.603 52.9-137.1 -77.5 138.9 6.9 34.6 66.2 152 165 A V E -H 146 0B 64 -2,-0.3 2,-0.4 -6,-0.2 -6,-0.2 -0.874 26.3-161.6 -95.0 107.8 9.6 37.1 67.5 153 166 A R E -H 145 0B 46 -8,-2.6 -8,-2.8 -2,-0.7 2,-0.8 -0.729 16.0-137.2 -94.0 135.8 9.2 37.4 71.3 154 167 A H E -H 144 0B 111 -2,-0.4 2,-0.3 -10,-0.2 7,-0.2 -0.829 31.4-169.5 -88.1 112.8 10.6 40.2 73.4 155 168 A L E -H 143 0B 0 -12,-3.1 -12,-1.9 -2,-0.8 7,-0.1 -0.871 11.5-178.0-112.1 145.1 12.0 38.5 76.5 156 169 A T - 0 0 34 -2,-0.3 9,-0.3 -14,-0.2 10,-0.2 -0.940 37.7-115.2-135.2 154.5 13.2 40.1 79.8 157 170 A P S S+ 0 0 40 0, 0.0 2,-0.4 0, 0.0 9,-0.1 0.819 112.4 24.5 -61.7 -37.2 14.8 38.6 83.0 158 171 A A S S+ 0 0 86 7,-0.0 3,-0.1 3,-0.0 0, 0.0 -0.995 106.1 79.2-127.0 120.7 11.8 39.7 85.1 159 172 A G S > S- 0 0 35 -2,-0.4 3,-1.1 1,-0.2 -4,-0.0 -0.935 93.8 -44.7 160.9-177.9 8.7 40.1 83.0 160 173 A P T 3 S+ 0 0 123 0, 0.0 2,-1.6 0, 0.0 3,-0.4 0.943 130.6 25.8 -50.1 -79.0 6.1 37.9 81.4 161 174 A D T >> S+ 0 0 60 -7,-0.2 4,-2.1 1,-0.2 3,-0.5 -0.214 77.8 142.7 -87.4 53.3 7.8 34.9 79.8 162 175 A S H <> + 0 0 26 -2,-1.6 4,-2.7 -3,-1.1 -1,-0.2 0.870 67.4 57.9 -59.2 -37.7 10.7 35.2 82.3 163 176 A D H 3> S+ 0 0 89 -3,-0.4 4,-1.5 1,-0.2 -1,-0.3 0.863 105.9 49.1 -60.8 -39.6 11.0 31.4 82.4 164 177 A L H <> S+ 0 0 7 -3,-0.5 4,-1.7 2,-0.2 -1,-0.2 0.903 107.8 55.0 -64.8 -45.8 11.5 31.3 78.7 165 178 A F H >X S+ 0 0 0 -4,-2.1 4,-2.0 -9,-0.3 3,-0.6 0.963 111.9 44.3 -48.0 -56.4 14.2 34.1 79.1 166 179 A W H 3< S+ 0 0 17 -4,-2.7 171,-0.4 1,-0.3 -1,-0.2 0.688 110.0 53.2 -68.7 -21.2 16.0 31.9 81.6 167 180 A A H 3< S+ 0 0 0 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.720 108.2 52.7 -82.5 -20.8 15.7 28.7 79.6 168 181 A T H X< S+ 0 0 5 -4,-1.7 3,-2.6 -3,-0.6 5,-0.4 0.907 91.9 81.8 -75.3 -41.9 17.2 30.6 76.6 169 182 A V T 3< S+ 0 0 0 -4,-2.0 168,-0.5 1,-0.3 -47,-0.2 -0.503 118.7 0.4 -61.8 116.6 20.2 31.6 78.8 170 183 A G T 3 S+ 0 0 2 -49,-2.9 -1,-0.3 -2,-0.4 -48,-0.2 0.513 98.8 125.9 74.6 6.6 22.3 28.6 78.6 171 184 A G S X S- 0 0 1 -3,-2.6 3,-2.4 -50,-0.2 -48,-0.2 0.389 70.2-130.7 -76.9 3.1 19.8 26.9 76.4 172 185 A N T 3 - 0 0 7 -50,-2.7 243,-0.1 1,-0.3 -49,-0.1 0.853 66.7 -62.1 48.2 38.6 22.3 26.1 73.6 173 186 A G T > S+ 0 0 23 -5,-0.4 3,-0.7 -55,-0.2 -126,-0.3 0.540 108.0 122.1 77.5 8.4 19.9 27.5 71.0 174 187 A L T < + 0 0 1 -3,-2.4 236,-0.2 1,-0.2 -2,-0.1 0.397 68.0 58.8 -93.0 4.6 17.1 24.9 71.7 175 188 A T T 3 S- 0 0 1 1,-0.5 -27,-0.3 -7,-0.1 2,-0.2 0.579 121.7 -81.8-105.1 -17.1 14.6 27.6 72.6 176 189 A G < - 0 0 3 -3,-0.7 2,-0.6 -29,-0.1 -1,-0.5 -0.834 62.8 -44.6 137.5-177.5 14.8 29.3 69.2 177 190 A I E - G 0 146B 0 -31,-1.7 -31,-3.5 -2,-0.2 2,-0.4 -0.784 43.7-143.6 -90.2 118.3 17.0 31.9 67.4 178 191 A I E + G 0 145B 15 -2,-0.6 -33,-0.2 -33,-0.2 3,-0.1 -0.685 23.5 176.8 -73.5 125.3 18.1 35.0 69.4 179 192 A L E - 0 0 13 -35,-3.0 -91,-1.9 -2,-0.4 -90,-0.3 0.723 59.7 -1.4-103.9 -26.1 18.1 37.7 66.7 180 193 A R E -FG 87 144B 91 -36,-0.8 -36,-2.5 -93,-0.3 -1,-0.4 -0.987 63.2-169.5-161.5 151.9 18.9 40.8 68.7 181 194 A A E -FG 86 143B 2 -95,-2.8 -95,-3.1 -2,-0.3 2,-0.6 -0.999 22.4-135.1-151.0 155.6 19.7 41.8 72.4 182 195 A T E -FG 85 142B 29 -40,-3.0 -41,-3.5 -2,-0.3 -40,-1.5 -0.961 27.6-168.2-106.5 117.0 20.1 44.6 74.8 183 196 A I E -FG 84 140B 0 -99,-2.1 -99,-1.8 -2,-0.6 2,-0.8 -0.868 20.6-134.0-102.5 135.5 23.2 44.1 77.1 184 197 A E E -F 83 0B 66 -45,-2.9 -101,-0.2 -2,-0.4 -102,-0.1 -0.807 32.2-150.9 -85.0 111.0 23.8 46.2 80.1 185 198 A M - 0 0 3 -103,-3.1 -79,-0.2 -2,-0.8 -81,-0.0 -0.179 13.0-110.5 -78.0 173.1 27.6 47.1 79.9 186 199 A T E -J 105 0D 44 -81,-3.1 -81,-2.5 2,-0.0 2,-0.1 -0.916 29.7-125.7-105.1 128.4 30.0 47.8 82.7 187 200 A P E +J 104 0D 63 0, 0.0 2,-0.3 0, 0.0 -83,-0.2 -0.416 34.5 173.8 -71.6 141.4 31.3 51.4 83.0 188 201 A T - 0 0 16 -85,-1.6 58,-0.1 -88,-0.1 3,-0.1 -0.985 35.1-153.7-144.5 144.9 35.1 51.8 83.0 189 202 A E S S+ 0 0 89 56,-0.4 2,-0.3 -2,-0.3 57,-0.1 0.540 86.8 27.6 -86.2 -10.7 37.4 54.9 83.0 190 203 A T - 0 0 0 55,-0.3 69,-0.3 2,-0.1 -1,-0.1 -0.942 63.3-134.1-148.4 163.8 40.0 52.7 81.3 191 204 A A S S+ 0 0 6 67,-3.1 85,-0.5 -2,-0.3 2,-0.3 -0.006 82.0 90.1 -99.7 18.9 40.8 49.6 79.1 192 205 A Y E -K 275 0E 23 53,-0.3 53,-3.9 66,-0.2 2,-0.4 -0.863 63.2-141.2-119.3 156.6 43.5 48.4 81.5 193 206 A F E -KL 274 244E 0 81,-3.9 81,-3.6 -2,-0.3 2,-0.5 -0.838 7.8-145.1-107.3 152.0 43.7 46.1 84.5 194 207 A I E -KL 273 243E 32 49,-2.7 49,-1.5 -2,-0.4 2,-0.3 -0.992 36.6-172.6-112.3 121.6 45.8 46.6 87.6 195 208 A A E -KL 272 242E 0 77,-2.8 77,-2.7 -2,-0.5 2,-0.4 -0.838 28.2-152.4-126.4 147.0 46.8 43.1 88.5 196 209 A D E - L 0 241E 18 45,-3.3 45,-2.4 -2,-0.3 2,-0.4 -0.964 17.8-158.6-111.3 140.2 48.6 41.1 91.3 197 210 A G E +KL 269 240E 0 72,-2.6 72,-2.0 -2,-0.4 2,-0.3 -0.916 13.9 173.1-119.4 142.3 50.4 37.9 90.4 198 211 A D E - L 0 239E 20 41,-1.9 41,-3.6 -2,-0.4 2,-0.4 -0.990 19.2-148.3-144.7 155.2 51.2 35.1 92.9 199 212 A V E - L 0 238E 82 -2,-0.3 2,-0.2 39,-0.2 39,-0.2 -0.972 10.7-160.5-124.9 136.6 52.6 31.6 92.8 200 213 A T - 0 0 11 37,-2.3 3,-0.1 -2,-0.4 35,-0.0 -0.670 17.0-139.5-108.5 168.8 51.8 28.7 95.2 201 214 A G S S+ 0 0 33 -2,-0.2 35,-0.4 1,-0.2 2,-0.3 0.507 75.3 7.6-109.0 -2.9 53.8 25.7 95.8 202 215 A S S > S- 0 0 21 33,-0.3 4,-2.6 1,-0.1 33,-0.3 -0.986 76.8 -93.8-164.2 171.4 51.0 23.0 96.0 203 216 A L H > S+ 0 0 14 31,-2.0 4,-2.3 -2,-0.3 5,-0.1 0.851 121.6 51.5 -56.6 -41.5 47.4 22.1 95.5 204 217 A D H > S+ 0 0 89 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.927 111.4 45.5 -72.6 -40.7 46.7 22.8 99.2 205 218 A E H > S+ 0 0 98 2,-0.2 4,-3.5 1,-0.2 -1,-0.2 0.922 109.4 56.7 -62.2 -43.6 48.2 26.2 99.1 206 219 A T H X S+ 0 0 0 -4,-2.6 4,-1.1 1,-0.2 -2,-0.2 0.921 112.2 43.0 -54.3 -42.9 46.4 26.9 95.8 207 220 A I H >X S+ 0 0 13 -4,-2.3 4,-0.8 2,-0.2 3,-0.6 0.935 114.1 47.9 -69.7 -52.8 43.1 26.2 97.7 208 221 A A H >X S+ 0 0 60 -4,-2.8 3,-1.2 1,-0.2 4,-0.8 0.916 106.1 61.2 -49.8 -45.1 44.0 28.1 100.9 209 222 A F H 3< S+ 0 0 42 -4,-3.5 3,-0.4 1,-0.3 -1,-0.2 0.876 110.9 38.8 -51.6 -38.5 45.1 30.9 98.7 210 223 A H H << S+ 0 0 3 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