==== 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 LYASE 08-AUG-07 2QVH . COMPND 2 MOLECULE: O-SUCCINYLBENZOATE-COA SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOBIFIDA FUSCA; . AUTHOR R.SUGADEV,S.K.BURLEY,S.SWAMINATHAN,NEW YORK SGX RESEARCH CEN . 622 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26511.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 412 66.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 60 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 59 9.5 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 . 6 1.0 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 . 49 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 188 30.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.6 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 6 1 0 1 1 2 1 4 0 2 0 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 4 4 2 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 PARALLEL BRIDGES PER LADDER . 8 2 2 2 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 2 2 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 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 S 0 0 86 0, 0.0 4,-0.1 0, 0.0 293,-0.0 0.000 360.0 360.0 360.0 -87.3 5.9 -21.1 17.5 2 3 A L - 0 0 153 2,-0.2 3,-0.1 0, 0.0 0, 0.0 0.036 360.0 -8.2-172.9 -58.6 5.1 -23.7 14.8 3 4 A T S S+ 0 0 84 1,-0.3 24,-0.8 23,-0.0 2,-0.6 0.646 123.5 52.4-126.3 -41.1 3.1 -22.3 11.9 4 5 A G E -A 26 0A 4 22,-0.2 2,-0.4 20,-0.0 -1,-0.3 -0.915 68.9-179.7-106.8 118.1 2.0 -18.8 12.7 5 6 A R E -A 25 0A 29 20,-2.3 20,-2.8 -2,-0.6 2,-0.2 -0.948 19.9-135.2-126.6 141.5 4.8 -16.5 13.8 6 7 A A E -AB 24 293A 0 287,-0.6 287,-1.5 -2,-0.4 2,-0.3 -0.579 20.9-171.0 -90.1 149.6 5.0 -12.8 14.9 7 8 A F E -AB 23 292A 0 16,-2.4 16,-1.5 285,-0.3 2,-0.3 -0.940 16.1-161.4-138.0 158.4 7.6 -10.3 13.7 8 9 A A E +A 22 0A 24 283,-2.2 14,-0.2 -2,-0.3 -2,-0.0 -0.887 16.2 179.2-143.2 105.8 8.7 -6.8 14.6 9 10 A I E -A 21 0A 0 12,-2.7 12,-3.6 -2,-0.3 2,-0.1 -0.942 23.5-131.2-115.1 123.4 10.7 -4.9 12.0 10 11 A P E -A 20 0A 59 0, 0.0 251,-2.5 0, 0.0 252,-0.3 -0.437 21.1-128.5 -72.1 142.8 12.0 -1.3 12.5 11 12 A L E -D 260 0B 11 8,-2.3 249,-0.3 249,-0.2 3,-0.1 -0.564 13.4-125.6 -87.4 155.7 11.4 1.2 9.7 12 13 A R E S+ 0 0 147 247,-2.5 2,-0.3 1,-0.2 248,-0.1 0.680 94.5 3.1 -73.1 -17.5 14.2 3.3 8.3 13 14 A T E S- 0 0 52 246,-0.5 -1,-0.2 5,-0.1 5,-0.1 -0.942 96.1 -77.8-166.3 145.9 12.1 6.4 9.0 14 15 A R E + 0 0 141 -2,-0.3 2,-0.3 -3,-0.1 63,-0.3 -0.210 53.7 170.8 -50.2 127.2 8.7 7.2 10.6 15 16 A F E > -A 18 0A 37 3,-2.0 3,-2.0 61,-0.1 -4,-0.0 -0.991 64.2 -0.5-144.0 132.1 5.9 6.5 8.2 16 17 A R T 3 S- 0 0 81 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.904 129.5 -61.5 54.7 40.7 2.2 6.5 8.9 17 18 A G T 3 S+ 0 0 43 1,-0.2 2,-0.3 85,-0.1 -1,-0.3 0.467 114.9 105.4 68.2 2.5 3.0 7.4 12.5 18 19 A I E < -A 15 0A 38 -3,-2.0 -3,-2.0 -5,-0.1 -1,-0.2 -0.793 46.0-173.8-117.4 160.6 5.0 4.2 13.2 19 20 A T E S+ 0 0 67 -2,-0.3 -8,-2.3 1,-0.2 2,-0.3 0.302 79.8 49.4-126.1 -1.2 8.7 3.3 13.5 20 21 A V E -A 10 0A 60 -10,-0.3 2,-0.6 240,-0.0 -1,-0.2 -0.985 69.3-146.2-145.1 130.7 8.2 -0.5 13.8 21 22 A R E -A 9 0A 4 -12,-3.6 -12,-2.7 -2,-0.3 2,-0.3 -0.869 22.4-176.9-101.8 117.2 6.2 -2.8 11.6 22 23 A E E +A 8 0A 82 -2,-0.6 2,-0.3 -14,-0.2 -14,-0.2 -0.830 17.3 122.2-114.1 151.9 4.5 -5.8 13.4 23 24 A G E -A 7 0A 0 -16,-1.5 -16,-2.4 -2,-0.3 2,-0.4 -0.974 47.1 -98.5-179.3-173.8 2.5 -8.7 12.1 24 25 A X E -AC 6 35A 3 11,-2.3 11,-3.2 -2,-0.3 2,-0.4 -0.987 19.3-147.2-133.4 142.5 2.2 -12.4 11.8 25 26 A L E -AC 5 34A 0 -20,-2.8 -20,-2.3 -2,-0.4 2,-0.4 -0.911 14.7-164.5-109.6 135.5 3.1 -14.8 9.1 26 27 A V E -AC 4 33A 25 7,-2.5 7,-2.1 -2,-0.4 2,-0.5 -0.976 10.5-143.3-124.9 133.3 1.0 -17.9 8.5 27 28 A R E + C 0 32A 127 -24,-0.8 5,-0.2 -2,-0.4 2,-0.2 -0.825 31.5 159.5 -97.5 125.1 1.9 -21.0 6.5 28 29 A G - 0 0 16 3,-2.9 30,-0.2 -2,-0.5 3,-0.1 -0.620 56.0 -79.9-130.3-169.4 -0.8 -22.7 4.5 29 30 A A S S+ 0 0 88 1,-0.2 29,-0.2 -2,-0.2 3,-0.1 0.787 128.4 43.5 -66.1 -29.1 -1.4 -25.1 1.5 30 31 A A S S- 0 0 32 27,-2.4 2,-0.3 1,-0.3 -1,-0.2 0.683 122.1 -97.9 -90.1 -20.6 -1.0 -22.2 -1.0 31 32 A G - 0 0 11 26,-1.4 -3,-2.9 -3,-0.1 2,-0.3 -0.994 67.2 -9.4 141.1-147.4 2.1 -20.7 0.7 32 33 A W E -C 27 0A 41 249,-0.4 2,-0.3 -2,-0.3 -5,-0.2 -0.676 48.7-172.9 -95.6 145.1 2.7 -17.8 3.1 33 34 A G E -C 26 0A 0 -7,-2.1 -7,-2.5 -2,-0.3 2,-0.4 -0.938 13.6-142.3-129.6 151.3 0.2 -15.2 4.2 34 35 A E E -C 25 0A 4 -2,-0.3 2,-0.6 -9,-0.2 -9,-0.2 -0.969 9.4-170.4-119.8 132.4 0.8 -12.0 6.2 35 36 A F E +C 24 0A 0 -11,-3.2 -11,-2.3 -2,-0.4 15,-0.1 -0.930 28.0 146.7-118.1 100.6 -1.7 -10.7 8.8 36 37 A S + 0 0 0 -2,-0.6 -14,-0.1 -13,-0.3 3,-0.1 -0.177 11.8 165.9-135.2 48.9 -0.4 -7.2 9.8 37 38 A P - 0 0 1 0, 0.0 -15,-0.1 0, 0.0 9,-0.1 -0.330 48.7 -97.0 -62.7 145.6 -3.2 -4.8 10.6 38 39 A F > - 0 0 13 1,-0.1 3,-1.8 2,-0.1 -17,-0.0 -0.289 41.2-100.5 -63.3 148.9 -1.9 -1.7 12.4 39 40 A A T 3 S+ 0 0 88 1,-0.3 -1,-0.1 -3,-0.1 0, 0.0 0.718 113.4 57.1 -38.9 -44.1 -2.3 -1.7 16.2 40 41 A E T 3 S+ 0 0 115 2,-0.0 -1,-0.3 0, 0.0 2,-0.2 0.665 78.5 107.2 -72.3 -16.5 -5.4 0.4 16.6 41 42 A Y < - 0 0 13 -3,-1.8 0, 0.0 1,-0.1 0, 0.0 -0.436 63.2-137.3 -71.1 130.3 -7.7 -1.7 14.5 42 43 A G > - 0 0 26 -2,-0.2 4,-2.3 1,-0.1 3,-0.4 -0.186 31.5 -94.4 -75.7 172.9 -10.3 -3.7 16.4 43 44 A P H > S+ 0 0 67 0, 0.0 4,-1.2 0, 0.0 266,-0.1 0.870 122.2 58.9 -57.7 -36.8 -11.3 -7.3 15.5 44 45 A R H 4 S+ 0 0 224 1,-0.2 4,-0.4 2,-0.2 3,-0.2 0.900 112.3 37.8 -61.6 -41.7 -14.2 -6.3 13.3 45 46 A E H >> S+ 0 0 77 -3,-0.4 3,-0.7 1,-0.2 4,-0.6 0.823 112.6 58.2 -78.8 -29.5 -11.9 -4.3 11.0 46 47 A C H 3X S+ 0 0 1 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.692 84.5 86.2 -70.9 -17.6 -9.1 -6.8 11.2 47 48 A A H 3X S+ 0 0 7 -4,-1.2 4,-2.2 1,-0.2 -1,-0.2 0.905 91.7 43.1 -48.0 -49.5 -11.6 -9.4 9.9 48 49 A R H <> S+ 0 0 87 -3,-0.7 4,-2.2 -4,-0.4 -1,-0.2 0.833 108.9 57.5 -69.3 -31.9 -10.8 -8.5 6.3 49 50 A W H X S+ 0 0 14 -4,-0.6 4,-2.0 1,-0.2 -1,-0.2 0.888 109.3 47.3 -64.2 -36.7 -7.1 -8.4 7.0 50 51 A W H X S+ 0 0 12 -4,-2.4 4,-3.1 2,-0.2 -2,-0.2 0.926 107.3 55.5 -67.5 -44.0 -7.5 -12.0 8.2 51 52 A A H X S+ 0 0 6 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.874 108.8 48.5 -56.0 -40.0 -9.5 -12.8 5.1 52 53 A A H X S+ 0 0 5 -4,-2.2 4,-2.3 152,-0.4 -1,-0.2 0.923 112.2 47.6 -65.6 -46.6 -6.6 -11.6 2.9 53 54 A C H X S+ 0 0 1 -4,-2.0 4,-2.5 1,-0.2 5,-0.2 0.911 112.4 50.5 -60.7 -42.8 -4.0 -13.5 5.0 54 55 A Y H X>S+ 0 0 82 -4,-3.1 4,-3.2 2,-0.2 5,-0.9 0.927 109.1 50.5 -61.4 -48.0 -6.2 -16.7 4.7 55 56 A E H X>S+ 0 0 11 -4,-2.3 5,-3.0 -5,-0.2 4,-1.2 0.935 112.6 47.2 -56.9 -46.8 -6.5 -16.3 1.0 56 57 A A H <5S+ 0 0 7 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.910 121.2 35.2 -62.9 -43.8 -2.8 -15.9 0.5 57 58 A A H <5S+ 0 0 4 -4,-2.5 -27,-2.4 -5,-0.2 -26,-1.4 0.821 133.2 19.4 -82.7 -32.6 -1.9 -18.9 2.7 58 59 A E H <5S+ 0 0 85 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.754 128.3 30.4-112.7 -30.4 -4.7 -21.3 2.0 59 60 A L T < - 0 0 38 -2,-0.1 4,-2.1 1,-0.1 -1,-0.2 -0.226 48.1-106.8 -69.9 163.2 13.3 16.8 4.3 80 81 A P H > S+ 0 0 66 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.842 115.5 49.3 -59.8 -39.1 13.8 17.9 0.7 81 82 A E H > S+ 0 0 127 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.967 116.2 40.5 -67.7 -52.2 17.4 16.6 0.3 82 83 A E H > S+ 0 0 100 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.826 113.2 56.4 -65.1 -30.5 16.6 13.2 1.7 83 84 A A H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.928 108.6 47.2 -65.0 -43.5 13.3 13.2 -0.2 84 85 A A H X S+ 0 0 26 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.836 110.1 53.7 -66.2 -32.3 15.3 13.8 -3.4 85 86 A R H X S+ 0 0 127 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.812 103.8 54.2 -73.9 -30.1 17.8 11.0 -2.5 86 87 A I H < S+ 0 0 43 -4,-1.8 4,-0.4 2,-0.2 -1,-0.2 0.922 112.0 46.1 -66.6 -43.1 15.0 8.5 -2.0 87 88 A V H >X S+ 0 0 6 -4,-1.7 3,-1.0 1,-0.2 4,-0.8 0.917 111.3 51.1 -63.8 -45.9 13.8 9.3 -5.5 88 89 A A H 3< S+ 0 0 75 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.844 115.5 42.4 -61.7 -34.9 17.4 9.2 -6.9 89 90 A S T 3< S+ 0 0 100 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.425 100.7 76.6 -91.9 0.9 17.9 5.7 -5.3 90 91 A S T <4 S- 0 0 8 -3,-1.0 184,-0.5 -4,-0.4 -2,-0.2 0.875 79.2-145.1 -80.8 -41.2 14.4 4.4 -6.3 91 92 A G < + 0 0 50 -4,-0.8 2,-0.3 1,-0.3 -3,-0.1 0.606 61.1 122.0 81.9 11.5 14.8 3.6 -10.0 92 93 A C - 0 0 10 -5,-0.4 -1,-0.3 1,-0.1 -2,-0.1 -0.799 55.9-156.7-108.3 149.8 11.2 4.7 -10.4 93 94 A T S S+ 0 0 107 -2,-0.3 32,-2.3 -22,-0.3 2,-0.4 0.484 82.5 62.6-100.3 -6.8 9.9 7.5 -12.7 94 95 A T E - i 0 125E 1 -23,-0.4 -21,-2.9 30,-0.2 2,-0.4 -0.961 65.9-174.5-119.2 136.6 6.7 8.0 -10.6 95 96 A A E -hi 73 126E 0 30,-2.7 32,-3.0 -2,-0.4 2,-0.5 -0.997 16.1-151.8-135.8 137.7 6.8 9.1 -7.0 96 97 A K E -hi 74 127E 26 -23,-2.6 -21,-2.6 -2,-0.4 2,-0.5 -0.935 19.2-156.1-107.8 123.3 4.1 9.5 -4.4 97 98 A V E -hi 75 128E 0 30,-3.4 32,-2.3 -2,-0.5 2,-0.3 -0.867 11.8-131.2-107.5 127.7 4.8 12.2 -1.8 98 99 A K E + i 0 129E 22 -23,-2.4 2,-0.3 -2,-0.5 32,-0.2 -0.551 33.9 175.0 -73.0 134.3 3.4 12.3 1.7 99 100 A V + 0 0 0 30,-2.3 34,-0.2 -2,-0.3 -22,-0.1 -0.901 50.7 36.4-135.0 164.5 2.0 15.7 2.6 100 101 A A S S+ 0 0 17 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.849 70.0 176.7 61.7 38.2 0.0 17.2 5.5 101 102 A E > - 0 0 41 4,-0.1 3,-2.4 -3,-0.1 -1,-0.2 -0.563 42.5 -95.3 -73.6 133.3 1.9 15.1 8.1 102 103 A R T 3 S+ 0 0 218 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 -0.250 111.2 20.6 -51.8 127.5 0.8 16.0 11.6 103 104 A G T 3 S+ 0 0 92 1,-0.4 -1,-0.3 -3,-0.1 2,-0.2 0.293 103.4 104.1 96.1 -11.0 3.2 18.5 13.1 104 105 A Q < - 0 0 68 -3,-2.4 -1,-0.4 1,-0.0 2,-0.2 -0.605 66.2-118.6-102.5 166.0 4.6 19.8 9.8 105 106 A S >> - 0 0 55 -2,-0.2 4,-1.4 -3,-0.1 3,-0.8 -0.662 20.9-117.9-102.4 158.5 3.9 23.0 7.9 106 107 A E H 3> S+ 0 0 77 1,-0.3 4,-1.9 -2,-0.2 5,-0.1 0.809 116.5 62.7 -61.8 -28.2 2.4 23.5 4.5 107 108 A A H 3> S+ 0 0 68 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.861 98.7 54.1 -64.7 -36.3 5.8 25.1 3.6 108 109 A N H <> S+ 0 0 72 -3,-0.8 4,-2.5 1,-0.2 -1,-0.2 0.925 106.7 52.2 -62.7 -44.0 7.5 21.7 4.3 109 110 A D H X S+ 0 0 2 -4,-1.4 4,-2.7 1,-0.2 5,-0.3 0.899 108.7 49.3 -59.3 -44.1 5.1 20.1 1.8 110 111 A V H X S+ 0 0 26 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.934 112.3 47.7 -61.5 -47.1 5.9 22.5 -0.9 111 112 A A H X S+ 0 0 34 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.883 113.3 49.2 -61.0 -41.2 9.6 22.1 -0.4 112 113 A R H X S+ 0 0 5 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.949 113.0 44.3 -65.1 -51.9 9.3 18.3 -0.4 113 114 A V H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.910 114.0 52.0 -60.5 -41.8 7.2 18.1 -3.6 114 115 A E H X S+ 0 0 83 -4,-2.6 4,-2.4 -5,-0.3 -1,-0.2 0.945 110.2 48.1 -59.0 -48.2 9.5 20.6 -5.3 115 116 A A H X S+ 0 0 12 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.924 112.2 49.7 -57.8 -45.9 12.5 18.6 -4.3 116 117 A V H X S+ 0 0 0 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.903 110.3 49.4 -62.0 -42.3 10.9 15.4 -5.6 117 118 A R H X S+ 0 0 27 -4,-2.7 4,-1.8 1,-0.2 7,-0.2 0.899 112.4 48.0 -64.4 -40.7 9.9 17.0 -8.9 118 119 A D H < S+ 0 0 111 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.893 109.8 53.1 -66.7 -37.9 13.4 18.3 -9.4 119 120 A A H < S+ 0 0 41 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.759 115.0 41.2 -68.3 -25.2 14.8 14.9 -8.6 120 121 A L H < S- 0 0 33 -4,-1.3 4,-0.4 -3,-0.2 3,-0.4 0.696 104.2-139.3 -94.4 -22.3 12.6 13.3 -11.2 121 122 A G >< - 0 0 22 -4,-1.8 3,-0.8 1,-0.2 -1,-0.2 -0.218 45.2 -55.3 84.6 176.4 13.1 15.9 -13.9 122 123 A P T 3 S+ 0 0 115 0, 0.0 -1,-0.2 0, 0.0 -4,-0.1 0.669 134.9 59.3 -65.4 -16.6 10.2 17.2 -16.1 123 124 A R T 3 S+ 0 0 222 -3,-0.4 -2,-0.2 -6,-0.1 -30,-0.0 0.757 83.5 99.9 -84.5 -25.7 9.4 13.7 -17.2 124 125 A G S < S- 0 0 8 -3,-0.8 2,-0.5 -4,-0.4 -30,-0.2 -0.016 70.3-127.1 -57.9 164.8 8.6 12.2 -13.8 125 126 A R E -i 94 0E 71 -32,-2.3 -30,-2.7 26,-0.0 2,-0.5 -0.974 23.2-160.5-116.0 128.3 5.1 11.7 -12.5 126 127 A V E +ij 95 151E 0 24,-0.6 26,-3.0 -2,-0.5 27,-0.6 -0.949 12.3 175.3-119.8 124.3 4.4 13.2 -9.1 127 128 A R E -ij 96 153E 2 -32,-3.0 -30,-3.4 -2,-0.5 2,-0.3 -0.838 13.4-153.3-116.8 157.4 1.5 12.2 -6.8 128 129 A I E -ij 97 154E 0 25,-1.5 27,-3.1 -2,-0.3 2,-0.5 -0.961 2.7-151.9-130.1 148.9 0.8 13.4 -3.3 129 130 A D E +ij 98 155E 5 -32,-2.3 -30,-2.3 -2,-0.3 27,-0.2 -0.980 15.0 175.3-124.4 119.9 -1.1 11.6 -0.5 130 131 A V > - 0 0 0 25,-2.4 3,-1.6 -2,-0.5 26,-0.2 0.608 32.8-139.9 -96.1 -15.4 -2.9 13.7 2.1 131 132 A N T 3 - 0 0 66 24,-0.7 25,-0.2 1,-0.3 28,-0.1 0.894 67.5 -66.5 53.0 40.1 -4.5 10.8 4.0 132 133 A G T 3 S+ 0 0 13 24,-3.5 27,-0.5 23,-0.4 -1,-0.3 0.672 97.3 138.3 57.3 25.1 -7.6 13.1 4.2 133 134 A A B < +N 158 0F 51 -3,-1.6 2,-0.3 23,-0.3 25,-0.2 0.615 50.3 74.9 -75.8 -12.7 -5.9 15.6 6.5 134 135 A W S S- 0 0 21 23,-1.7 25,-0.5 22,-0.2 2,-0.1 -0.697 71.7-131.4-105.3 155.2 -7.4 18.7 4.7 135 136 A D > - 0 0 75 -2,-0.3 4,-2.1 23,-0.1 5,-0.2 -0.402 43.5 -93.9 -86.9 174.3 -10.8 20.3 4.6 136 137 A V H > S+ 0 0 13 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.938 121.9 45.2 -57.0 -54.3 -12.3 21.2 1.3 137 138 A D H > S+ 0 0 101 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.907 114.8 47.1 -58.8 -45.6 -11.1 24.8 1.0 138 139 A T H > S+ 0 0 30 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.868 111.5 53.5 -65.1 -35.8 -7.6 24.1 2.2 139 140 A A H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 5,-0.3 0.927 108.6 47.2 -64.8 -46.8 -7.5 21.2 -0.3 140 141 A V H X S+ 0 0 10 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.926 115.8 46.8 -61.1 -44.0 -8.5 23.3 -3.3 141 142 A R H X S+ 0 0 111 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.949 116.4 41.9 -61.9 -53.7 -5.9 25.9 -2.3 142 143 A X H X S+ 0 0 0 -4,-2.9 4,-3.6 2,-0.2 5,-0.3 0.892 113.0 52.4 -63.8 -43.0 -3.0 23.5 -1.7 143 144 A I H X S+ 0 0 0 -4,-2.8 4,-1.7 -5,-0.2 -1,-0.2 0.958 111.9 47.0 -58.8 -49.2 -3.7 21.4 -4.7 144 145 A R H < S+ 0 0 167 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.921 115.4 46.6 -57.2 -44.7 -3.7 24.5 -6.9 145 146 A L H >< S+ 0 0 81 -4,-2.3 3,-1.2 1,-0.2 -2,-0.2 0.946 114.9 44.4 -63.9 -50.5 -0.5 25.7 -5.2 146 147 A L H >< S+ 0 0 0 -4,-3.6 3,-1.7 1,-0.3 -1,-0.2 0.673 96.1 78.5 -70.0 -16.8 1.3 22.3 -5.5 147 148 A D G >< + 0 0 52 -4,-1.7 3,-1.9 1,-0.3 -1,-0.3 0.534 69.0 82.3 -72.8 -2.0 0.2 21.8 -9.1 148 149 A R G < S+ 0 0 155 -3,-1.2 -1,-0.3 1,-0.3 -2,-0.1 0.640 91.5 54.2 -74.5 -6.4 2.9 24.2 -10.3 149 150 A F G < S- 0 0 17 -3,-1.7 -1,-0.3 -4,-0.1 -2,-0.2 0.222 123.8-112.0-104.6 10.7 5.0 21.1 -10.0 150 151 A E < - 0 0 139 -3,-1.9 -24,-0.6 1,-0.1 2,-0.4 0.965 33.8-145.3 55.5 95.9 2.5 19.2 -12.2 151 152 A L E -j 126 0E 13 1,-0.1 -24,-0.2 -4,-0.1 3,-0.1 -0.725 16.2-157.0 -95.0 136.0 0.6 16.6 -10.2 152 153 A E E S- 0 0 36 -26,-3.0 2,-0.3 -2,-0.4 -25,-0.2 0.914 77.7 -34.1 -71.6 -45.5 -0.5 13.2 -11.6 153 154 A Y E -j 127 0E 1 -27,-0.6 -25,-1.5 20,-0.1 2,-0.6 -0.963 52.4-119.0-170.8 161.3 -3.2 13.0 -8.9 154 155 A V E -jk 128 175E 0 20,-2.3 22,-2.5 -2,-0.3 2,-0.5 -0.950 28.1-143.0-112.4 116.1 -4.0 13.8 -5.3 155 156 A E E -jk 129 176E 2 -27,-3.1 -25,-2.4 -2,-0.6 -24,-0.7 -0.694 69.8 -26.3 -87.5 122.4 -4.8 10.9 -3.1 156 157 A Q + 0 0 1 20,-3.3 -24,-3.5 -2,-0.5 -23,-0.3 0.915 66.0 178.7 44.5 63.8 -7.5 11.3 -0.4 157 158 A P + 0 0 0 0, 0.0 -23,-1.7 0, 0.0 2,-0.3 0.862 67.2 28.8 -61.3 -31.4 -7.2 15.1 -0.0 158 159 A C B S-N 133 0F 0 -25,-0.2 -25,-0.2 2,-0.1 -26,-0.2 -0.791 82.2-112.8-126.7 169.4 -10.1 15.0 2.5 159 160 A A S S+ 0 0 63 -27,-0.5 2,-0.3 -25,-0.5 -26,-0.1 0.842 91.0 45.3 -71.1 -37.8 -11.6 12.7 5.1 160 161 A T S > S- 0 0 64 1,-0.1 4,-1.8 -28,-0.1 -2,-0.1 -0.729 76.3-121.2-114.2 161.9 -15.0 12.0 3.5 161 162 A V H > S+ 0 0 14 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.895 112.6 56.4 -61.3 -43.4 -16.4 11.1 0.1 162 163 A D H > S+ 0 0 97 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.881 108.6 48.5 -56.7 -39.5 -18.7 14.2 -0.0 163 164 A E H > S+ 0 0 45 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.864 108.8 52.1 -69.4 -38.3 -15.6 16.3 0.5 164 165 A L H X S+ 0 0 0 -4,-1.8 4,-3.0 1,-0.2 -2,-0.2 0.916 108.3 52.4 -63.4 -43.0 -13.6 14.6 -2.2 165 166 A A H X S+ 0 0 17 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.896 109.7 48.7 -59.5 -42.4 -16.5 15.2 -4.6 166 167 A E H < S+ 0 0 85 -4,-1.7 4,-0.5 2,-0.2 3,-0.2 0.935 113.5 46.0 -63.5 -47.8 -16.5 18.9 -3.8 167 168 A V H >X S+ 0 0 0 -4,-2.5 3,-1.9 1,-0.2 4,-1.0 0.927 108.1 57.3 -61.1 -44.4 -12.7 19.2 -4.3 168 169 A R H 3< S+ 0 0 70 -4,-3.0 3,-0.4 1,-0.3 -1,-0.2 0.847 105.0 51.6 -56.1 -36.3 -12.9 17.2 -7.5 169 170 A R T 3< S+ 0 0 208 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.555 113.3 45.3 -78.8 -7.7 -15.4 19.8 -8.9 170 171 A R T <4 S+ 0 0 116 -3,-1.9 2,-0.3 -4,-0.5 -1,-0.2 0.475 108.4 54.0-115.2 -3.3 -13.1 22.7 -8.0 171 172 A V < - 0 0 18 -4,-1.0 4,-0.1 -3,-0.4 -31,-0.0 -0.932 61.7-145.7-130.3 156.1 -9.7 21.4 -9.2 172 173 A S S S+ 0 0 108 -2,-0.3 -1,-0.1 2,-0.1 3,-0.1 0.701 73.5 99.4 -89.8 -23.6 -8.3 20.1 -12.5 173 174 A V S S- 0 0 8 1,-0.1 -2,-0.1 -20,-0.0 -20,-0.1 -0.445 85.2-106.6 -67.0 130.7 -5.9 17.7 -10.9 174 175 A P - 0 0 41 0, 0.0 -20,-2.3 0, 0.0 2,-0.4 -0.217 31.6-138.8 -58.2 150.0 -7.3 14.1 -10.8 175 176 A I E -k 154 0E 0 -22,-0.2 22,-3.3 -4,-0.1 23,-1.8 -0.929 11.2-159.0-115.7 135.2 -8.4 12.8 -7.4 176 177 A A E -kl 155 198E 0 -22,-2.5 -20,-3.3 -2,-0.4 2,-0.5 -0.917 9.7-142.4-114.7 140.2 -7.7 9.3 -6.1 177 178 A A E + l 0 199E 0 21,-2.5 23,-2.9 -2,-0.4 -22,-0.1 -0.890 36.9 142.8-105.3 129.1 -9.7 7.6 -3.3 178 179 A D S >> S+ 0 0 2 -2,-0.5 4,-2.6 21,-0.2 3,-2.5 0.584 75.1 34.1-123.7 -76.3 -8.0 5.4 -0.7 179 180 A E H 3> S+ 0 0 35 1,-0.3 4,-2.4 2,-0.2 -2,-0.1 0.869 116.5 59.4 -54.7 -36.1 -9.4 5.7 2.8 180 181 A S H 34 S+ 0 0 6 1,-0.2 -1,-0.3 2,-0.2 10,-0.3 0.589 113.4 39.3 -69.9 -7.4 -12.8 6.2 1.3 181 182 A I H <4 S+ 0 0 0 -3,-2.5 3,-0.4 2,-0.1 -2,-0.2 0.811 125.7 30.2-103.8 -53.4 -12.4 2.8 -0.3 182 183 A R H < S+ 0 0 30 -4,-2.6 -3,-0.2 1,-0.2 2,-0.2 0.728 128.1 37.4 -83.4 -24.3 -10.7 0.7 2.3 183 184 A R S < S+ 0 0 131 -4,-2.4 2,-0.3 -5,-0.4 -1,-0.2 -0.530 94.4 104.0-126.7 66.7 -12.1 2.3 5.5 184 185 A A S S- 0 0 33 -3,-0.4 -4,-0.0 -2,-0.2 -24,-0.0 -0.997 71.7-125.2-146.6 148.7 -15.7 3.2 4.5 185 186 A E S S+ 0 0 193 -2,-0.3 -1,-0.2 1,-0.3 -4,-0.0 0.963 108.2 12.5 -53.8 -55.7 -19.2 1.9 5.2 186 187 A D > - 0 0 89 1,-0.1 3,-1.7 -3,-0.1 -1,-0.3 -0.907 64.0-166.5-130.9 104.6 -19.8 1.6 1.4 187 188 A P T > S+ 0 0 20 0, 0.0 3,-1.6 0, 0.0 4,-0.4 0.774 83.6 73.8 -57.4 -28.7 -16.9 1.9 -1.0 188 189 A L T >> S+ 0 0 30 1,-0.3 4,-2.4 2,-0.2 3,-0.6 0.646 73.9 83.2 -63.1 -14.9 -19.3 2.4 -3.9 189 190 A R H <> S+ 0 0 99 -3,-1.7 4,-2.9 1,-0.3 -1,-0.3 0.851 82.9 60.7 -56.6 -36.1 -20.0 5.9 -2.8 190 191 A V H <4>S+ 0 0 0 -3,-1.6 5,-2.3 -10,-0.3 6,-0.7 0.899 109.7 41.8 -58.2 -41.2 -16.9 7.0 -4.5 191 192 A R H X45S+ 0 0 84 -3,-0.6 3,-0.9 -4,-0.4 -2,-0.2 0.947 117.6 44.1 -70.2 -53.5 -18.4 5.8 -7.8 192 193 A D H 3<5S+ 0 0 93 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.2 0.830 118.7 43.5 -63.0 -35.7 -22.0 7.1 -7.3 193 194 A A T 3<5S- 0 0 32 -4,-2.9 -1,-0.3 -5,-0.3 -2,-0.2 0.444 103.3-131.3 -90.2 -0.2 -20.8 10.4 -6.0 194 195 A E T < 5 + 0 0 116 -3,-0.9 -3,-0.2 -4,-0.2 -4,-0.1 0.929 55.0 151.0 47.3 50.7 -18.2 10.7 -8.7 195 196 A A < + 0 0 0 -5,-2.3 2,-0.3 -6,-0.2 -27,-0.2 0.574 53.9 33.1 -87.9 -13.1 -15.8 11.6 -5.9 196 197 A A - 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