==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 30-MAY-12 4FEH . COMPND 2 MOLECULE: OXIDOREDUCTASE DPRE1; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR S.M.BATT,G.S.BESRA,K.FUTTERER . 419 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16505.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 286 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 83 19.8 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 . 32 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 19.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.7 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 2 1 2 2 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 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 PARALLEL BRIDGES PER LADDER . 1 3 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 7 A T 0 0 135 0, 0.0 21,-0.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -31.1 38.8 -21.8 2.3 2 8 A T E -A 21 0A 65 19,-0.2 2,-0.5 62,-0.0 19,-0.2 -0.791 360.0-143.7-110.9 158.3 36.3 -19.2 3.4 3 9 A T E -A 20 0A 93 17,-2.3 17,-2.8 -2,-0.3 2,-0.3 -0.970 19.2-127.6-120.0 121.4 34.7 -18.4 6.8 4 10 A A E +A 19 0A 69 -2,-0.5 2,-0.4 15,-0.3 15,-0.2 -0.508 43.3 175.2 -64.5 128.7 31.0 -17.2 7.1 5 11 A T E -A 18 0A 45 13,-2.4 13,-2.1 -2,-0.3 2,-0.4 -0.995 37.1-125.5-148.9 130.6 31.3 -14.0 9.2 6 12 A R E -A 17 0A 162 -2,-0.4 2,-0.3 11,-0.2 11,-0.2 -0.651 39.7-169.5 -72.0 125.2 29.0 -11.2 10.5 7 13 A L E +A 16 0A 18 9,-2.8 9,-1.8 -2,-0.4 2,-0.3 -0.919 16.8 166.4-124.0 147.7 30.5 -7.9 9.3 8 14 A T - 0 0 10 -2,-0.3 6,-0.1 7,-0.2 47,-0.1 -0.938 36.7-103.7-139.7 165.8 29.9 -4.2 10.1 9 15 A G > - 0 0 2 4,-0.8 3,-1.8 45,-0.4 45,-0.3 -0.121 56.4 -80.9 -71.3-174.1 31.7 -1.0 9.5 10 16 A W T 3 S+ 0 0 53 43,-2.3 44,-0.2 1,-0.3 278,-0.2 0.834 130.4 61.8 -63.5 -35.2 33.6 0.7 12.4 11 17 A G T 3 S- 0 0 4 43,-0.5 -1,-0.3 42,-0.1 281,-0.2 0.377 108.2-126.8 -73.1 4.5 30.3 2.2 13.7 12 18 A R < + 0 0 97 -3,-1.8 2,-0.2 1,-0.2 -2,-0.1 0.743 65.0 127.6 56.7 29.5 29.1 -1.3 14.2 13 19 A T + 0 0 57 41,-0.4 -4,-0.8 1,-0.2 -1,-0.2 -0.621 49.1 25.6-111.8 172.5 25.9 -0.8 12.3 14 20 A A S S- 0 0 39 -2,-0.2 -1,-0.2 -6,-0.1 -2,-0.1 0.893 76.7-160.0 43.7 62.3 24.1 -2.5 9.4 15 21 A P + 0 0 63 0, 0.0 2,-0.3 0, 0.0 -7,-0.2 -0.324 17.3 170.3 -67.8 147.0 25.5 -6.0 9.8 16 22 A S E -A 7 0A 25 -9,-1.8 -9,-2.8 -11,-0.1 2,-0.5 -0.978 29.9-116.0-149.3 163.6 25.5 -8.6 7.1 17 23 A V E +A 6 0A 81 -2,-0.3 45,-3.3 -11,-0.2 2,-0.3 -0.832 33.9 170.7-105.2 131.0 27.1 -12.0 6.6 18 24 A A E -A 5 0A 2 -13,-2.1 -13,-2.4 -2,-0.5 2,-0.8 -0.919 42.0-108.3-129.1 156.6 29.7 -12.8 4.0 19 25 A N E -Ab 4 64A 72 44,-2.9 46,-2.3 -2,-0.3 2,-0.6 -0.809 43.5-150.9 -78.6 113.2 32.0 -15.7 3.2 20 26 A V E -Ab 3 65A 17 -17,-2.8 -17,-2.3 -2,-0.8 2,-0.5 -0.796 9.2-158.5 -94.1 120.6 35.3 -14.2 4.1 21 27 A L E +Ab 2 66A 10 44,-2.7 46,-2.6 -2,-0.6 2,-0.4 -0.845 13.5 178.5 -91.5 129.0 38.5 -15.3 2.3 22 28 A R E + b 0 67A 153 -21,-0.6 46,-0.1 -2,-0.5 44,-0.1 -0.874 19.9 136.6-135.4 100.6 41.6 -14.7 4.4 23 29 A T - 0 0 20 44,-0.6 48,-0.1 -2,-0.4 6,-0.0 -0.997 50.3-147.0-145.6 144.8 44.9 -15.8 2.8 24 30 A P S S+ 0 0 96 0, 0.0 2,-0.9 0, 0.0 3,-0.1 0.493 78.3 100.7 -83.1 -4.6 48.4 -14.5 2.3 25 31 A D >> - 0 0 76 1,-0.2 3,-1.6 2,-0.0 4,-1.4 -0.719 57.9-164.6 -89.9 101.8 48.5 -16.3 -1.0 26 32 A A H 3> S+ 0 0 35 -2,-0.9 4,-2.5 1,-0.3 -1,-0.2 0.819 89.4 59.0 -52.0 -36.4 47.9 -13.9 -3.9 27 33 A E H 3> S+ 0 0 125 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.773 102.4 53.5 -67.3 -27.4 47.2 -16.8 -6.2 28 34 A M H <> S+ 0 0 80 -3,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.845 108.7 49.8 -72.8 -34.8 44.4 -18.0 -4.0 29 35 A I H X S+ 0 0 0 -4,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.932 111.5 48.3 -66.2 -45.5 42.9 -14.5 -4.2 30 36 A V H X S+ 0 0 24 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.937 112.1 49.8 -59.5 -46.3 43.2 -14.6 -8.0 31 37 A K H X S+ 0 0 84 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.905 107.5 53.8 -61.0 -41.0 41.6 -18.0 -8.1 32 38 A A H X S+ 0 0 17 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.872 108.3 48.7 -65.5 -36.9 38.7 -16.9 -5.9 33 39 A V H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.907 111.2 51.0 -66.5 -43.2 37.8 -13.9 -8.1 34 40 A A H X S+ 0 0 42 -4,-2.0 4,-3.0 1,-0.2 -2,-0.2 0.878 107.5 53.7 -59.0 -39.4 37.9 -16.2 -11.2 35 41 A R H < S+ 0 0 109 -4,-2.2 4,-0.5 2,-0.2 -1,-0.2 0.875 109.7 47.4 -66.4 -37.4 35.6 -18.6 -9.4 36 42 A V H <>S+ 0 0 17 -4,-1.7 5,-2.1 2,-0.2 3,-0.4 0.898 115.2 46.1 -66.6 -41.3 33.1 -15.8 -8.8 37 43 A A H ><5S+ 0 0 20 -4,-2.3 3,-1.7 1,-0.2 -2,-0.2 0.894 110.0 52.3 -69.1 -41.5 33.4 -14.7 -12.4 38 44 A E T 3<5S+ 0 0 93 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.561 103.1 59.8 -73.2 -10.3 33.0 -18.3 -13.8 39 45 A S T 3 5S- 0 0 80 -4,-0.5 3,-0.3 -3,-0.4 -1,-0.3 0.308 125.3-107.2 -94.6 3.5 29.9 -18.6 -11.7 40 46 A G T < 5 - 0 0 46 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.411 62.5 -65.8 88.7 -0.3 28.6 -15.7 -13.7 41 47 A G > < + 0 0 2 -5,-2.1 3,-2.1 -6,-0.2 -1,-0.2 -0.447 67.4 176.8 121.4 -60.4 28.8 -13.1 -10.9 42 48 A G T 3 S- 0 0 72 -3,-0.3 3,-0.1 1,-0.3 21,-0.1 -0.342 76.3 -24.6 60.4-129.3 26.3 -14.2 -8.3 43 49 A R T 3 S- 0 0 124 19,-0.2 -1,-0.3 1,-0.2 20,-0.1 0.264 99.6-149.1 -98.7 10.0 26.5 -11.8 -5.3 44 50 A G < - 0 0 5 -3,-2.1 20,-2.4 -8,-0.2 2,-0.3 -0.029 8.6 -79.1 71.5-160.4 30.0 -11.0 -6.2 45 51 A A E -cd 64 410A 0 364,-2.0 366,-1.9 18,-0.2 2,-0.3 -0.983 28.7-173.7-146.8 151.2 33.1 -10.0 -4.2 46 52 A I E -c 65 0A 1 18,-1.1 20,-2.6 -2,-0.3 2,-0.2 -0.991 25.9-118.1-145.2 148.1 34.6 -7.0 -2.5 47 53 A A E -c 66 0A 24 -2,-0.3 2,-0.4 126,-0.2 20,-0.2 -0.505 24.0-159.1 -76.0 153.0 37.9 -6.4 -0.8 48 54 A R E +c 67 0A 39 18,-2.9 20,-2.9 -2,-0.2 21,-0.4 -1.000 10.6 179.5-131.6 139.8 38.2 -5.5 2.9 49 55 A G - 0 0 17 -2,-0.4 20,-0.3 18,-0.2 -1,-0.1 0.425 68.2 -35.6-100.1-118.8 41.0 -3.8 4.7 50 56 A L S S- 0 0 48 18,-0.1 17,-0.0 17,-0.1 64,-0.0 0.374 76.6-119.2 -94.7 4.9 41.1 -3.0 8.4 51 57 A G S S+ 0 0 8 1,-0.1 64,-0.1 -44,-0.0 -43,-0.0 0.738 70.7 134.9 69.0 25.6 37.4 -2.2 8.6 52 58 A R + 0 0 76 62,-0.1 2,-0.2 -43,-0.1 -1,-0.1 0.620 38.3 102.5 -83.1 -12.4 37.9 1.4 9.6 53 59 A S S S- 0 0 21 1,-0.1 -43,-2.3 -43,-0.1 325,-0.2 -0.515 70.5-142.1 -67.4 140.1 35.4 2.7 7.2 54 60 A Y S S+ 0 0 52 323,-2.9 -43,-0.5 -45,-0.3 -41,-0.4 0.757 73.7 54.3 -77.7 -25.4 32.1 3.5 9.2 55 61 A G S S- 0 0 2 321,-0.3 3,-0.3 322,-0.2 325,-0.2 0.214 100.3 -79.5 -95.8-148.1 29.7 2.3 6.6 56 62 A D S > S+ 0 0 9 323,-0.7 358,-1.8 1,-0.2 3,-0.7 -0.026 87.0 105.8-115.0 26.9 28.9 -0.7 4.5 57 63 A N T 3 S+ 0 0 10 319,-0.2 -1,-0.2 1,-0.2 358,-0.1 0.695 79.0 52.6 -83.1 -18.6 31.4 -0.5 1.7 58 64 A A T 3 S+ 0 0 17 -3,-0.3 2,-0.3 -5,-0.1 -1,-0.2 -0.026 101.6 69.4-107.2 28.9 33.7 -3.3 3.0 59 65 A Q < - 0 0 0 -3,-0.7 354,-2.1 -52,-0.1 355,-0.4 -0.943 54.1-165.8-140.0 165.4 31.0 -5.9 3.3 60 66 A N > - 0 0 0 -2,-0.3 3,-2.4 352,-0.3 -41,-0.3 -0.665 21.3-138.4-156.7 85.6 28.9 -8.0 0.9 61 67 A G T 3 S+ 0 0 12 1,-0.3 -43,-0.2 -2,-0.2 3,-0.1 -0.240 88.3 2.3 -57.3 127.0 25.9 -9.8 2.4 62 68 A G T 3 S+ 0 0 54 -45,-3.3 -1,-0.3 1,-0.3 -19,-0.2 0.517 123.1 79.8 77.9 4.2 25.6 -13.3 0.9 63 69 A G S < S- 0 0 6 -3,-2.4 -44,-2.9 -46,-0.3 2,-0.4 -0.405 87.2 -67.4-123.4-158.8 28.7 -12.9 -1.1 64 70 A L E -bc 19 45A 18 -20,-2.4 -18,-1.1 -46,-0.2 2,-0.4 -0.781 33.9-171.7-100.1 139.7 32.5 -13.1 -0.9 65 71 A V E -bc 20 46A 0 -46,-2.3 -44,-2.7 -2,-0.4 2,-0.8 -0.999 13.4-149.0-125.3 128.6 34.6 -10.6 1.1 66 72 A I E -bc 21 47A 0 -20,-2.6 -18,-2.9 -2,-0.4 2,-0.7 -0.869 6.7-147.0-104.5 109.2 38.4 -10.8 0.7 67 73 A D E -bc 22 48A 27 -46,-2.6 -44,-0.6 -2,-0.8 -18,-0.2 -0.654 14.9-173.6 -70.6 112.8 40.3 -9.8 3.8 68 74 A M > + 0 0 6 -20,-2.9 3,-1.5 -2,-0.7 21,-0.2 0.437 56.8 99.8 -92.8 -1.6 43.5 -8.2 2.3 69 75 A T T 3 S+ 0 0 31 -21,-0.4 -1,-0.2 -20,-0.3 22,-0.1 0.790 74.7 60.9 -59.5 -28.5 45.3 -7.7 5.7 70 76 A P T 3 S+ 0 0 21 0, 0.0 2,-1.6 0, 0.0 -1,-0.3 0.743 87.5 76.8 -70.7 -19.9 47.5 -10.8 5.2 71 77 A L < + 0 0 14 -3,-1.5 18,-1.8 1,-0.2 19,-0.4 -0.643 61.3 135.6 -85.3 82.0 49.0 -9.3 2.0 72 78 A N + 0 0 76 -2,-1.6 2,-0.4 17,-0.2 -1,-0.2 -0.088 18.0 136.5-126.7 33.0 51.2 -7.0 4.0 73 79 A T - 0 0 69 17,-0.1 14,-2.9 -3,-0.0 2,-0.8 -0.685 43.9-148.9 -86.7 131.6 54.6 -7.0 2.4 74 80 A I E -E 86 0B 45 -2,-0.4 12,-0.2 12,-0.2 3,-0.1 -0.903 18.4-175.3 -90.2 111.1 56.7 -3.9 1.8 75 81 A H E - 0 0 73 10,-2.1 2,-0.3 -2,-0.8 11,-0.2 0.892 57.2 -9.0 -80.9 -42.3 58.6 -4.9 -1.4 76 82 A S E -E 85 0B 60 9,-1.7 9,-2.6 2,-0.0 2,-0.4 -0.996 47.0-160.2-156.7 156.7 60.8 -1.9 -1.8 77 83 A I E -E 84 0B 33 -2,-0.3 2,-0.5 7,-0.2 7,-0.2 -0.992 10.8-170.4-140.2 131.4 61.6 1.6 -0.5 78 84 A D E >> -E 83 0B 65 5,-2.5 4,-1.3 -2,-0.4 5,-0.5 -0.949 10.6-169.8-131.9 108.4 63.6 4.1 -2.6 79 85 A A T 45S+ 0 0 44 -2,-0.5 -1,-0.1 2,-0.2 5,-0.0 0.756 86.0 55.7 -72.4 -23.3 64.8 7.4 -1.0 80 86 A D T 45S+ 0 0 144 1,-0.2 -1,-0.2 3,-0.1 -2,-0.0 0.936 121.4 26.5 -74.2 -48.4 65.9 9.0 -4.2 81 87 A T T 45S- 0 0 60 2,-0.1 -2,-0.2 103,-0.0 -1,-0.2 0.568 100.9-131.8 -89.1 -9.0 62.7 8.6 -6.1 82 88 A K T <5 + 0 0 59 -4,-1.3 103,-3.0 1,-0.2 2,-0.3 0.562 57.5 147.7 66.1 11.1 60.6 8.7 -2.8 83 89 A L E < -EF 78 184B 35 -5,-0.5 -5,-2.5 101,-0.2 2,-0.4 -0.553 31.9-169.3 -84.8 142.6 58.8 5.6 -4.1 84 90 A V E -EF 77 183B 0 99,-2.0 99,-2.5 -2,-0.3 2,-0.6 -0.998 7.7-157.2-130.1 127.9 57.5 2.9 -1.9 85 91 A D E +EF 76 182B 30 -9,-2.6 -10,-2.1 -2,-0.4 -9,-1.7 -0.939 29.6 159.5-112.9 111.2 56.2 -0.4 -3.4 86 92 A I E -EF 74 181B 0 95,-2.6 95,-2.6 -2,-0.6 -12,-0.2 -0.953 43.4-105.7-139.4 147.1 53.8 -2.2 -1.0 87 93 A D E > - F 0 180B 16 -14,-2.9 3,-1.4 -2,-0.3 93,-0.3 -0.335 40.2-113.7 -64.5 156.7 51.0 -4.8 -0.9 88 94 A A T 3 S+ 0 0 1 91,-2.3 30,-2.6 1,-0.3 31,-0.4 0.684 111.7 63.9 -71.9 -17.5 47.6 -3.3 -0.5 89 95 A G T 3 S+ 0 0 3 -18,-1.8 -1,-0.3 90,-0.4 -17,-0.2 0.559 74.2 109.3 -83.4 -9.3 47.2 -4.9 3.0 90 96 A V < - 0 0 0 -3,-1.4 27,-2.6 -19,-0.4 28,-0.2 -0.484 65.2-136.6 -67.9 138.7 50.1 -2.9 4.5 91 97 A N B > -I 116 0C 31 25,-0.3 4,-2.4 -2,-0.1 25,-0.2 -0.572 16.9-113.3 -96.1 161.7 48.7 -0.3 7.0 92 98 A L H > S+ 0 0 0 23,-1.9 4,-2.4 21,-0.7 22,-0.2 0.783 115.5 54.5 -68.6 -28.3 49.9 3.3 7.3 93 99 A D H > S+ 0 0 42 20,-1.4 4,-2.2 22,-0.2 -1,-0.2 0.938 110.9 45.6 -66.7 -48.9 51.4 2.7 10.8 94 100 A Q H > S+ 0 0 54 19,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.913 115.4 47.3 -57.7 -45.7 53.5 -0.1 9.4 95 101 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 5,-0.2 0.895 109.5 53.6 -65.2 -40.3 54.5 1.9 6.4 96 102 A M H X S+ 0 0 2 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.926 110.7 46.7 -59.3 -45.1 55.3 5.0 8.5 97 103 A K H < S+ 0 0 134 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.894 114.8 46.6 -63.9 -42.6 57.7 2.9 10.7 98 104 A A H < S+ 0 0 35 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.808 117.3 41.9 -71.0 -31.7 59.3 1.3 7.7 99 105 A A H ><>S+ 0 0 0 -4,-2.2 5,-1.7 -5,-0.1 3,-1.1 0.685 92.4 79.2 -94.4 -23.5 59.8 4.5 5.8 100 106 A L G ><5S+ 0 0 1 -4,-1.9 3,-2.9 1,-0.2 -1,-0.1 0.910 88.1 57.6 -52.8 -47.2 61.0 7.0 8.5 101 107 A P G 3 5S+ 0 0 101 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.774 104.0 55.1 -59.0 -22.3 64.6 5.7 8.6 102 108 A F G < 5S- 0 0 102 -3,-1.1 -2,-0.2 -4,-0.2 3,-0.1 0.339 121.8-109.7 -85.4 5.1 64.8 6.6 4.8 103 109 A G T < 5S+ 0 0 14 -3,-2.9 85,-2.1 1,-0.2 2,-0.4 0.862 76.2 135.7 66.7 35.4 63.7 10.1 5.6 104 110 A L E < -J 187 0D 4 -5,-1.7 2,-0.4 83,-0.2 -1,-0.2 -0.937 38.3-159.3-121.2 143.2 60.3 9.5 4.0 105 111 A W E -J 186 0D 1 81,-2.4 81,-2.9 -2,-0.4 -9,-0.1 -0.953 31.6-104.2-126.4 134.0 56.9 10.5 5.3 106 112 A V - 0 0 1 -2,-0.4 3,-0.1 79,-0.2 79,-0.1 -0.389 34.0-142.3 -57.4 123.3 53.4 9.1 4.5 107 113 A P S S+ 0 0 1 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 0.742 83.4 28.5 -72.1 -25.2 52.0 11.9 2.2 108 114 A V - 0 0 0 18,-0.1 17,-0.1 28,-0.1 27,-0.1 -0.966 69.4-177.6-138.1 117.6 48.4 11.7 3.5 109 115 A L - 0 0 2 -2,-0.4 19,-0.7 -3,-0.1 20,-0.2 -0.969 9.8-157.3-119.9 119.7 47.6 10.6 7.0 110 116 A P - 0 0 22 0, 0.0 17,-0.1 0, 0.0 5,-0.0 -0.090 45.4 -77.3 -83.1-171.3 44.1 10.4 8.3 111 117 A G S S+ 0 0 82 2,-0.1 2,-0.3 1,-0.1 16,-0.1 0.689 118.2 35.0 -63.9 -21.2 42.9 10.5 11.9 112 118 A T - 0 0 63 1,-0.1 -20,-0.1 -60,-0.0 -1,-0.1 -0.988 65.1-148.9-134.2 146.4 44.0 6.9 12.5 113 119 A R S S+ 0 0 43 -2,-0.3 2,-1.8 1,-0.2 -20,-1.4 0.521 78.1 94.9 -89.6 -7.8 47.0 5.0 11.2 114 120 A Q + 0 0 63 -22,-0.2 2,-0.3 -23,-0.1 -1,-0.2 -0.395 60.5 107.5 -83.4 59.2 45.1 1.6 11.2 115 121 A V - 0 0 20 -2,-1.8 -23,-1.9 -64,-0.1 -22,-0.2 -0.980 66.4-122.5-130.5 146.8 44.0 1.8 7.6 116 122 A T B > -I 91 0C 3 -2,-0.3 4,-2.4 -25,-0.2 -25,-0.3 -0.521 21.4-118.0 -85.1 156.7 45.4 -0.3 4.7 117 123 A V H > S+ 0 0 0 -27,-2.6 4,-2.2 -30,-0.3 5,-0.2 0.893 118.0 55.2 -54.5 -41.6 46.9 1.2 1.5 118 124 A G H > S+ 0 0 14 -30,-2.6 4,-2.7 -28,-0.2 -1,-0.2 0.927 111.5 42.0 -57.6 -47.7 44.0 -0.5 -0.3 119 125 A G H > S+ 0 0 28 -31,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.813 110.5 57.8 -71.5 -29.8 41.4 1.2 1.8 120 126 A A H <>S+ 0 0 0 -4,-2.4 5,-2.0 2,-0.2 17,-0.2 0.893 114.6 37.6 -64.8 -40.0 43.4 4.5 1.6 121 127 A I H ><5S+ 0 0 0 -4,-2.2 49,-2.8 3,-0.2 3,-0.9 0.923 113.7 54.6 -74.7 -46.7 43.2 4.4 -2.2 122 128 A A H 3<5S+ 0 0 12 -4,-2.7 50,-2.7 1,-0.3 -2,-0.2 0.800 119.8 33.0 -62.8 -31.2 39.6 3.0 -2.4 123 129 A C T 3<5S- 0 0 15 -4,-1.7 216,-0.3 -5,-0.2 -1,-0.3 0.405 101.5-134.2-100.5 0.4 38.3 5.8 -0.2 124 130 A D T < 5 - 0 0 0 -3,-0.9 215,-0.2 -4,-0.2 -3,-0.2 0.933 35.6-147.1 45.7 57.9 40.8 8.4 -1.6 125 131 A I < - 0 0 15 -5,-2.0 11,-2.6 -6,-0.2 2,-0.3 -0.039 14.0-151.2 -64.4 157.0 41.4 9.4 2.0 126 132 A H - 0 0 27 9,-0.2 2,-0.2 10,-0.1 9,-0.1 -0.822 10.6-169.6-123.5 163.8 42.2 13.0 3.1 127 133 A G > - 0 0 8 7,-0.4 3,-2.0 -2,-0.3 4,-0.2 -0.742 47.0 -73.3-141.2-172.9 44.2 14.4 6.0 128 134 A K T 3 S+ 0 0 14 -19,-0.7 93,-2.6 1,-0.3 3,-0.3 0.705 127.1 54.1 -61.5 -19.4 45.1 17.6 7.9 129 135 A N T >> + 0 0 4 91,-0.3 4,-2.2 -20,-0.2 3,-1.7 0.180 69.0 118.4-101.4 17.3 47.3 18.5 5.0 130 136 A H H <> + 0 0 3 -3,-2.0 4,-2.1 1,-0.3 -1,-0.2 0.828 69.3 59.8 -52.0 -38.8 44.7 18.3 2.2 131 137 A H H 34 S+ 0 0 36 -3,-0.3 -1,-0.3 197,-0.2 -2,-0.1 0.742 119.5 29.0 -67.9 -19.0 44.9 21.9 1.2 132 138 A S H <4 S+ 0 0 62 -3,-1.7 -2,-0.2 87,-0.5 -1,-0.2 0.669 134.9 25.5-109.5 -22.0 48.6 21.5 0.4 133 139 A A H < S- 0 0 21 -4,-2.2 -3,-0.2 1,-0.3 -2,-0.2 0.416 89.6-140.1-125.1 0.4 48.9 17.8 -0.6 134 140 A G < - 0 0 9 -4,-2.1 -7,-0.4 -5,-0.3 -1,-0.3 -0.273 46.3 -45.0 63.5-157.0 45.5 16.8 -2.0 135 141 A S > - 0 0 0 -9,-0.1 3,-1.1 205,-0.1 4,-0.4 -0.353 63.8 -85.9-101.3-176.4 44.2 13.3 -1.1 136 142 A F G > S+ 0 0 0 -11,-2.6 3,-2.0 1,-0.3 4,-0.3 0.881 122.8 61.6 -60.8 -41.9 45.8 9.9 -1.0 137 143 A G G > S+ 0 0 1 1,-0.3 3,-1.4 -17,-0.2 -1,-0.3 0.806 91.8 67.5 -51.3 -34.2 45.0 9.3 -4.7 138 144 A N G < S+ 0 0 68 -3,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.728 103.2 45.7 -59.7 -22.8 47.2 12.3 -5.7 139 145 A H G < S+ 0 0 33 -3,-2.0 45,-2.8 -4,-0.4 2,-0.7 0.339 80.8 111.5-109.7 5.7 50.3 10.4 -4.5 140 146 A V E < -G 183 0B 6 -3,-1.4 43,-0.2 -4,-0.3 3,-0.1 -0.729 39.0-179.2 -80.3 117.6 49.7 7.0 -6.1 141 147 A R E - 0 0 108 41,-2.7 2,-0.3 -2,-0.7 42,-0.2 0.820 67.6 -20.8 -87.1 -34.9 52.3 6.5 -8.8 142 148 A S E -G 182 0B 10 40,-1.5 40,-2.9 14,-0.2 -1,-0.3 -0.982 58.7-162.5-160.3 166.6 50.9 3.1 -9.9 143 149 A M E -GH 181 155B 1 12,-1.9 12,-3.4 -2,-0.3 2,-0.7 -0.987 20.6-129.2-153.4 149.9 48.8 0.2 -8.7 144 150 A D E -GH 180 154B 37 36,-3.0 35,-3.2 -2,-0.3 36,-1.0 -0.885 28.8-166.7 -97.7 115.5 48.2 -3.4 -9.6 145 151 A L E -GH 178 153B 0 8,-2.6 8,-2.8 -2,-0.7 2,-0.9 -0.909 16.3-145.8-108.1 122.7 44.4 -4.1 -9.9 146 152 A L E -GH 177 152B 0 31,-3.6 31,-2.2 -2,-0.5 6,-0.2 -0.774 30.4-164.7 -80.1 108.9 43.0 -7.6 -10.0 147 153 A T > - 0 0 0 4,-2.7 3,-1.8 -2,-0.9 29,-0.1 -0.360 34.9 -91.7 -93.9 177.7 40.0 -7.1 -12.4 148 154 A A T 3 S+ 0 0 11 256,-0.6 -111,-0.1 1,-0.3 257,-0.1 0.712 120.1 65.3 -63.7 -24.3 37.0 -9.4 -13.0 149 155 A D T 3 S- 0 0 103 255,-0.3 -1,-0.3 2,-0.2 3,-0.1 0.329 117.4-110.4 -81.0 8.3 38.8 -11.2 -15.9 150 156 A G S < S+ 0 0 23 -3,-1.8 2,-0.4 1,-0.3 -2,-0.2 0.544 79.5 128.4 75.4 6.8 41.3 -12.6 -13.4 151 157 A E - 0 0 44 -4,-0.0 -4,-2.7 2,-0.0 2,-0.8 -0.770 55.3-139.8 -96.5 141.7 44.0 -10.4 -14.8 152 158 A I E -H 146 0B 77 -2,-0.4 2,-0.4 -6,-0.2 -6,-0.3 -0.865 25.1-164.9 -99.4 109.7 46.2 -8.1 -12.7 153 159 A R E -H 145 0B 86 -8,-2.8 -8,-2.6 -2,-0.8 2,-0.7 -0.821 19.4-130.2-107.7 137.1 46.8 -4.9 -14.5 154 160 A H E -H 144 0B 119 -2,-0.4 2,-0.4 -10,-0.2 -10,-0.2 -0.687 30.7-165.2 -80.9 111.0 49.4 -2.2 -13.8 155 161 A L E -H 143 0B 0 -12,-3.4 -12,-1.9 -2,-0.7 7,-0.1 -0.799 10.2-176.1-103.4 140.8 47.6 1.2 -13.7 156 162 A T - 0 0 43 -2,-0.4 9,-0.3 -14,-0.2 -14,-0.2 -0.919 35.1-117.0-129.3 157.8 49.2 4.6 -13.8 157 163 A P S S+ 0 0 25 0, 0.0 9,-0.1 0, 0.0 -15,-0.1 0.593 111.3 23.4 -73.3 -10.9 47.5 8.1 -13.5 158 164 A T S S+ 0 0 130 7,-0.0 4,-0.1 3,-0.0 5,-0.1 0.381 101.4 99.3-132.2 -2.8 48.5 9.2 -17.1 159 165 A G S > S- 0 0 32 -3,-0.1 3,-1.3 2,-0.1 4,-0.1 0.193 96.6 -75.2 -71.8-161.4 49.0 6.0 -19.0 160 166 A E T 3 S+ 0 0 118 1,-0.3 3,-0.3 2,-0.1 -1,-0.1 0.740 133.1 50.4 -72.8 -22.6 46.6 4.3 -21.3 161 167 A D T 3> S+ 0 0 34 1,-0.2 4,-2.7 -7,-0.2 -1,-0.3 0.019 70.8 123.4-104.6 28.5 44.5 3.1 -18.4 162 168 A A H <> S+ 0 0 25 -3,-1.3 4,-2.4 1,-0.2 -1,-0.2 0.819 71.2 56.8 -54.5 -36.4 44.2 6.5 -16.7 163 169 A E H > S+ 0 0 109 -3,-0.3 4,-1.2 2,-0.2 -1,-0.2 0.932 110.9 41.1 -64.4 -48.2 40.5 6.3 -16.8 164 170 A L H > S+ 0 0 13 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.889 112.0 57.9 -66.7 -40.0 40.4 3.0 -14.8 165 171 A F H X S+ 0 0 0 -4,-2.7 4,-1.8 -9,-0.3 3,-0.4 0.945 110.0 42.3 -53.4 -51.2 43.1 4.3 -12.6 166 172 A W H < S+ 0 0 20 -4,-2.4 171,-0.4 1,-0.2 -1,-0.2 0.677 111.2 55.1 -78.5 -16.1 41.1 7.3 -11.5 167 173 A A H < S+ 0 0 0 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.719 106.6 53.1 -79.4 -25.2 37.9 5.3 -11.2 168 174 A T H >< S+ 0 0 3 -4,-1.5 3,-2.1 -3,-0.4 5,-0.4 0.895 92.7 80.3 -77.5 -42.6 39.8 3.0 -8.8 169 175 A V T 3< S+ 0 0 0 -4,-1.8 168,-0.4 1,-0.3 -47,-0.2 -0.510 117.2 2.9 -58.1 124.8 40.8 5.9 -6.6 170 176 A G T 3 S+ 0 0 2 -49,-2.8 -1,-0.3 -2,-0.2 -48,-0.2 0.555 100.1 125.4 70.3 7.0 37.8 6.7 -4.5 171 177 A G X - 0 0 1 -3,-2.1 3,-1.9 -50,-0.2 -48,-0.2 0.448 69.5-131.8 -82.4 0.4 36.1 3.7 -6.1 172 178 A N T 3 - 0 0 7 -50,-2.7 243,-0.1 1,-0.3 -49,-0.1 0.805 66.0 -61.8 55.0 32.9 35.2 1.8 -2.9 173 179 A G T > S+ 0 0 13 -5,-0.4 3,-0.8 -55,-0.1 -1,-0.3 0.493 107.7 122.0 79.7 3.6 36.7 -1.5 -4.2 174 180 A L T < + 0 0 1 -3,-1.9 236,-0.2 1,-0.2 -2,-0.1 0.395 65.8 53.7 -91.6 4.0 34.2 -1.6 -7.1 175 181 A T T 3 S- 0 0 3 1,-0.4 2,-0.3 -7,-0.1 -27,-0.3 0.437 123.3 -78.3-101.6 -5.4 36.6 -1.8 -10.0 176 182 A G < - 0 0 2 -3,-0.8 2,-0.6 -29,-0.1 -1,-0.4 -0.892 64.0 -41.6 137.5-174.1 38.5 -4.8 -8.5 177 183 A I E - G 0 146B 0 -31,-2.2 -31,-3.6 -2,-0.3 2,-0.5 -0.830 44.7-140.8 -98.5 119.3 41.0 -5.8 -5.9 178 184 A I E + G 0 145B 12 -2,-0.6 -33,-0.2 -33,-0.2 3,-0.1 -0.711 24.1 177.3 -75.8 122.0 44.0 -3.6 -5.5 179 185 A M E - 0 0 11 -35,-3.2 -91,-2.3 -2,-0.5 -90,-0.4 0.813 60.5 -8.0 -94.9 -34.5 46.8 -6.0 -4.9 180 186 A R E -FG 87 144B 78 -36,-1.0 -36,-3.0 -93,-0.3 -1,-0.4 -0.973 61.8-166.7-165.0 151.0 49.8 -3.7 -4.7 181 187 A A E -FG 86 143B 1 -95,-2.6 -95,-2.6 -2,-0.3 2,-0.5 -0.995 20.3-132.6-151.7 157.1 50.7 -0.1 -5.2 182 188 A T E -FG 85 142B 23 -40,-2.9 -41,-2.7 -2,-0.3 -40,-1.5 -0.970 27.9-167.9-113.4 119.2 53.6 2.4 -5.6 183 189 A I E -FG 84 140B 0 -99,-2.5 -99,-2.0 -2,-0.5 2,-0.8 -0.908 20.0-135.4-109.7 134.0 53.2 5.5 -3.5 184 190 A E E -F 83 0B 69 -45,-2.8 -101,-0.2 -2,-0.4 -102,-0.1 -0.820 30.3-154.6 -84.6 110.9 55.3 8.7 -3.7 185 191 A M - 0 0 3 -103,-3.0 -79,-0.2 -2,-0.8 -81,-0.0 -0.207 16.9-107.5 -76.8 172.6 56.2 9.6 -0.1 186 192 A T E -J 105 0D 46 -81,-2.9 -81,-2.4 -2,-0.0 -1,-0.1 -0.921 32.1-121.1-106.1 125.9 57.1 13.1 1.1 187 193 A P E +J 104 0D 75 0, 0.0 2,-0.3 0, 0.0 -83,-0.2 -0.344 40.6 166.9 -61.4 143.0 60.7 13.8 2.0 188 194 A T - 0 0 23 -85,-2.1 58,-0.1 -88,-0.1 3,-0.1 -0.980 37.0-155.5-155.0 154.6 61.4 14.8 5.6 189 195 A S S S+ 0 0 54 56,-0.4 2,-0.3 -2,-0.3 57,-0.1 0.564 84.0 33.0-107.0 -17.0 64.3 15.3 8.0 190 196 A T - 0 0 0 55,-0.4 69,-0.3 2,-0.2 -1,-0.1 -0.926 64.9-135.8-134.8 164.0 62.3 14.8 11.1 191 197 A A S S+ 0 0 3 67,-2.7 85,-0.5 -2,-0.3 2,-0.3 0.014 81.8 89.7-100.0 23.9 59.3 12.9 12.5 192 198 A Y E -K 275 0E 31 53,-0.3 53,-2.9 66,-0.2 2,-0.3 -0.839 63.5-140.8-124.5 157.2 58.1 16.1 14.2 193 199 A F E -KL 274 244E 0 81,-4.0 81,-2.8 -2,-0.3 2,-0.6 -0.843 9.2-142.2-110.2 151.3 55.9 19.1 13.5 194 200 A I E -KL 273 243E 40 49,-2.4 49,-1.4 -2,-0.3 2,-0.3 -0.980 35.7-166.4-108.4 119.0 56.4 22.7 14.4 195 201 A A E -KL 272 242E 0 77,-3.6 77,-2.3 -2,-0.6 76,-0.5 -0.806 24.0-157.7-115.7 145.1 52.9 24.0 15.2 196 202 A D E -KL 270 241E 29 45,-3.7 45,-2.6 -2,-0.3 2,-0.4 -0.957 17.4-157.2-111.0 139.1 51.0 27.3 15.8 197 203 A G E +KL 269 240E 0 72,-1.8 72,-1.5 -2,-0.4 2,-0.3 -0.904 13.5 174.0-114.7 146.0 47.8 27.3 17.7 198 204 A D E - L 0 239E 29 41,-1.9 41,-2.8 -2,-0.4 2,-0.4 -0.994 16.5-150.6-146.1 145.0 44.9 29.9 17.6 199 205 A V E - L 0 238E 33 -2,-0.3 39,-0.2 39,-0.2 2,-0.2 -0.961 11.9-159.4-119.1 133.7 41.5 30.0 19.2 200 206 A T - 0 0 6 37,-2.6 3,-0.1 -2,-0.4 36,-0.1 -0.598 13.7-147.0-105.4 171.5 38.6 31.9 17.7 201 207 A 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