==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 02-AUG-00 1FHV . COMPND 2 MOLECULE: O-SUCCINYLBENZOATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR I.RAYMENT,T.B.THOMPSON,J.A.GERLT . 322 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15119.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 208 64.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 10.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 27 8.4 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 . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 19 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 27.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 1 0 0 0 0 2 0 1 0 1 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 3 1 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 PARALLEL BRIDGES PER LADDER . 1 2 0 0 0 1 0 0 0 0 1 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 1 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 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 G 0 0 136 0, 0.0 39,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 -9.1 0.9 13.0 44.7 2 -2 A S - 0 0 75 1,-0.1 37,-0.1 2,-0.1 0, 0.0 -0.269 360.0-173.5 -61.0 137.6 2.3 12.0 48.1 3 -1 A A + 0 0 79 37,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.055 41.7 139.1-112.8 19.3 6.0 12.2 48.7 4 1 A M - 0 0 130 35,-0.1 36,-2.1 1,-0.1 2,-0.4 -0.513 45.1-140.7 -72.8 126.1 5.5 10.4 52.0 5 2 A R E +A 39 0A 47 -2,-0.3 2,-0.3 69,-0.3 34,-0.2 -0.677 29.7 156.8 -91.1 138.0 8.1 7.8 52.9 6 3 A S E -A 38 0A 58 32,-2.6 32,-3.3 -2,-0.4 2,-0.3 -0.939 12.7-173.4-146.3 165.7 7.4 4.5 54.5 7 4 A A E -A 37 0A 20 -2,-0.3 2,-0.3 30,-0.2 30,-0.2 -0.997 12.6-155.9-158.1 158.6 9.1 1.2 54.7 8 5 A Q E -A 36 0A 27 28,-2.6 28,-2.7 -2,-0.3 2,-0.4 -0.989 7.1-154.8-137.3 149.9 8.8 -2.4 55.9 9 6 A V E -A 35 0A 0 -2,-0.3 313,-4.1 26,-0.2 314,-0.7 -0.990 12.5-162.3-123.8 125.3 11.5 -5.0 56.7 10 7 A Y E -AB 34 321A 19 24,-2.4 24,-2.2 -2,-0.4 2,-0.4 -0.897 3.6-157.8-111.0 141.3 10.7 -8.7 56.5 11 8 A R E +AB 33 320A 75 309,-2.1 309,-0.9 -2,-0.4 2,-0.3 -0.910 24.7 162.7-114.4 138.5 12.6 -11.6 58.0 12 9 A W E -A 32 0A 9 20,-2.4 20,-2.4 -2,-0.4 2,-0.4 -0.978 33.2-150.7-156.7 166.3 12.4 -15.1 56.7 13 10 A Q E -A 31 0A 113 -2,-0.3 18,-0.2 18,-0.2 -2,-0.0 -0.989 12.6-163.6-141.1 121.9 13.6 -18.6 56.3 14 11 A I E -A 30 0A 1 16,-2.9 16,-2.7 -2,-0.4 2,-0.1 -0.954 24.9-124.4-108.5 123.6 13.0 -20.8 53.3 15 12 A P E -A 29 0A 65 0, 0.0 284,-2.6 0, 0.0 285,-0.3 -0.433 25.2-137.2 -65.5 135.4 13.6 -24.6 53.7 16 13 A M B -D 298 0B 6 12,-2.7 282,-0.3 282,-0.2 3,-0.1 -0.578 27.0 -96.3 -86.8 157.7 16.1 -26.0 51.3 17 14 A D > - 0 0 60 280,-3.3 3,-1.1 -2,-0.2 -1,-0.1 -0.321 58.2 -84.3 -62.3 157.3 15.6 -29.2 49.5 18 15 A A T 3 S+ 0 0 104 1,-0.2 -1,-0.1 -3,-0.1 10,-0.1 -0.365 110.1 28.1 -65.0 144.8 17.3 -32.1 51.3 19 16 A G T 3 S+ 0 0 48 1,-0.3 2,-0.3 -3,-0.1 -1,-0.2 0.492 73.5 154.2 89.8 5.5 21.0 -32.6 50.5 20 17 A V < - 0 0 16 -3,-1.1 7,-2.6 7,-0.3 2,-0.4 -0.467 20.3-172.7 -69.5 131.3 22.0 -29.2 49.6 21 18 A V E -E 26 0C 70 -2,-0.3 2,-0.4 5,-0.3 5,-0.3 -0.983 14.3-168.2-129.2 143.2 25.7 -28.6 50.2 22 19 A L E > S-E 25 0C 34 3,-3.9 3,-1.3 -2,-0.4 -2,-0.0 -0.993 78.3 -19.2-125.7 116.7 27.8 -25.4 50.0 23 20 A R T 3 S- 0 0 112 -2,-0.4 -1,-0.2 1,-0.3 3,-0.1 0.941 130.2 -48.1 48.6 55.7 31.6 -25.7 50.0 24 21 A D T 3 S+ 0 0 99 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.649 122.5 104.4 60.4 17.1 31.5 -29.2 51.5 25 22 A R E < S-E 22 0C 177 -3,-1.3 -3,-3.9 2,-0.0 2,-0.2 -0.952 72.0-113.7-128.3 146.7 29.0 -28.1 54.2 26 23 A R E -E 21 0C 192 -2,-0.3 2,-0.5 -5,-0.3 -5,-0.3 -0.509 18.5-154.7 -80.0 147.5 25.2 -28.7 54.4 27 24 A L + 0 0 22 -7,-2.6 -7,-0.3 -2,-0.2 3,-0.1 -0.922 16.8 171.9-124.7 110.0 22.7 -26.0 54.1 28 25 A K + 0 0 182 -2,-0.5 -12,-2.7 1,-0.2 2,-0.3 0.875 66.1 12.0 -81.7 -42.3 19.3 -26.6 55.7 29 26 A T E -A 15 0A 35 -14,-0.2 2,-0.6 269,-0.0 -1,-0.2 -0.950 62.3-131.5-137.9 154.3 17.6 -23.4 55.4 30 27 A R E -A 14 0A 3 -16,-2.7 -16,-2.9 -2,-0.3 2,-0.3 -0.955 27.6-166.4-109.4 112.7 18.0 -20.1 53.6 31 28 A D E +A 13 0A 35 -2,-0.6 2,-0.3 -18,-0.2 -18,-0.2 -0.798 24.7 132.1 -98.2 142.6 17.7 -17.2 56.0 32 29 A G E -A 12 0A 0 -20,-2.4 -20,-2.4 -2,-0.3 2,-0.3 -0.943 39.3-118.8-169.1-171.8 17.2 -13.7 54.7 33 30 A L E -AC 11 48A 0 15,-1.0 15,-2.7 -2,-0.3 2,-0.4 -0.974 9.5-153.9-145.3 153.5 15.5 -10.3 54.7 34 31 A Y E -AC 10 47A 0 -24,-2.2 -24,-2.4 -2,-0.3 2,-0.4 -0.957 7.2-155.2-124.6 156.4 13.5 -8.1 52.3 35 32 A V E -AC 9 46A 0 11,-2.3 11,-1.8 -2,-0.4 2,-0.5 -0.979 3.9-167.2-126.7 140.5 13.1 -4.4 52.4 36 33 A C E -AC 8 45A 1 -28,-2.7 -28,-2.6 -2,-0.4 2,-0.5 -0.985 7.7-167.9-126.8 117.0 10.2 -2.6 50.9 37 34 A L E -AC 7 44A 0 7,-3.0 7,-2.5 -2,-0.5 2,-0.4 -0.912 2.1-167.4-105.7 137.8 10.5 1.1 50.5 38 35 A R E +AC 6 43A 110 -32,-3.3 -32,-2.6 -2,-0.5 2,-0.3 -0.958 16.0 174.8-124.7 138.5 7.5 3.4 49.7 39 36 A E E A 5 0A 65 3,-1.5 -34,-0.2 -2,-0.4 -35,-0.1 -0.842 360.0 360.0-136.9 90.2 7.5 7.0 48.6 40 37 A G 0 0 53 -36,-2.1 -37,-0.1 -2,-0.3 -34,-0.0 -0.604 360.0 360.0 76.1 360.0 3.9 8.0 47.7 41 ! 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 42 39 A R 0 0 142 0, 0.0 -3,-1.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 144.6 5.8 4.3 44.4 43 40 A E E -C 38 0A 74 53,-0.2 2,-0.3 -5,-0.2 -5,-0.2 -1.000 360.0-173.7-153.0 144.2 7.4 1.2 45.8 44 41 A G E -C 37 0A 0 -7,-2.5 -7,-3.0 -2,-0.3 2,-0.3 -1.000 6.8-159.7-140.8 145.8 10.7 -0.7 45.6 45 42 A W E +C 36 0A 17 -2,-0.3 2,-0.3 47,-0.2 -9,-0.2 -0.882 9.1 176.9-123.6 157.3 11.9 -4.0 47.0 46 43 A G E -C 35 0A 0 -11,-1.8 -11,-2.3 -2,-0.3 2,-0.5 -0.978 23.4-128.6-154.5 156.9 15.3 -5.6 47.7 47 44 A E E -C 34 0A 0 -2,-0.3 2,-0.5 -13,-0.2 -13,-0.2 -0.938 13.8-171.7-113.8 127.6 16.7 -8.8 49.2 48 45 A I E +C 33 0A 0 -15,-2.7 -15,-1.0 -2,-0.5 38,-0.1 -0.899 26.7 146.7-117.5 94.1 19.3 -8.8 51.9 49 46 A S - 0 0 0 -2,-0.5 -17,-0.1 -17,-0.2 10,-0.1 -0.637 29.7-161.1-135.9 79.1 20.6 -12.4 52.4 50 47 A P - 0 0 5 0, 0.0 -19,-0.2 0, 0.0 9,-0.1 -0.316 22.6-127.1 -56.0 145.6 24.1 -12.8 53.3 51 48 A L >> - 0 0 7 7,-0.1 4,-2.8 189,-0.1 3,-2.5 -0.860 20.6-117.2-105.2 115.4 25.3 -16.4 52.5 52 49 A P T 34 S+ 0 0 77 0, 0.0 4,-0.1 0, 0.0 6,-0.1 -0.189 99.4 17.2 -51.9 132.9 26.9 -18.4 55.3 53 50 A G T 34 S+ 0 0 54 2,-0.4 3,-0.1 1,-0.1 -2,-0.0 0.355 129.7 50.9 87.2 -11.0 30.5 -19.2 54.6 54 51 A F T <4 S+ 0 0 65 -3,-2.5 -1,-0.1 1,-0.2 2,-0.1 0.623 95.2 66.2-120.1 -56.8 30.7 -16.6 51.8 55 52 A S < - 0 0 17 -4,-2.8 -2,-0.4 1,-0.1 -1,-0.2 -0.420 69.0-144.7 -68.3 144.8 29.5 -13.4 53.3 56 53 A Q S S+ 0 0 194 -2,-0.1 2,-0.2 185,-0.1 -1,-0.1 0.874 83.2 65.8 -74.4 -37.4 31.6 -11.9 56.0 57 54 A E S S- 0 0 14 1,-0.1 2,-0.2 4,-0.0 -3,-0.1 -0.570 80.3-128.5 -86.3 157.9 28.5 -10.6 57.7 58 55 A T > - 0 0 58 -2,-0.2 4,-2.6 1,-0.1 5,-0.3 -0.510 26.9-105.7 -94.9 168.0 25.8 -12.7 59.3 59 56 A W H > S+ 0 0 36 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.898 122.2 50.3 -54.6 -45.5 22.1 -12.6 58.9 60 57 A E H > S+ 0 0 113 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.889 110.7 47.5 -64.5 -43.5 21.7 -10.9 62.2 61 58 A E H > S+ 0 0 100 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.879 111.1 50.7 -65.4 -41.7 24.3 -8.2 61.5 62 59 A A H X S+ 0 0 0 -4,-2.6 4,-3.2 1,-0.2 -2,-0.2 0.886 107.5 55.5 -62.8 -36.6 22.8 -7.4 58.1 63 60 A Q H X S+ 0 0 33 -4,-2.0 4,-2.8 -5,-0.3 5,-0.2 0.934 108.5 46.9 -61.8 -45.4 19.5 -7.1 59.9 64 61 A S H X S+ 0 0 78 -4,-1.8 4,-2.4 2,-0.2 5,-0.2 0.941 114.8 45.7 -60.8 -48.1 20.9 -4.5 62.3 65 62 A V H X S+ 0 0 48 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.914 113.4 51.2 -65.5 -39.4 22.6 -2.6 59.5 66 63 A L H X S+ 0 0 0 -4,-3.2 4,-2.8 -5,-0.2 -1,-0.2 0.938 109.2 48.2 -63.0 -47.0 19.5 -2.8 57.4 67 64 A L H X S+ 0 0 48 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.932 112.3 50.0 -61.6 -43.4 17.1 -1.5 60.1 68 65 A A H X S+ 0 0 51 -4,-2.4 4,-1.4 -5,-0.2 -1,-0.2 0.876 110.3 50.0 -61.8 -41.1 19.4 1.4 60.9 69 66 A W H X S+ 0 0 15 -4,-2.1 4,-2.6 -5,-0.2 3,-0.3 0.933 110.0 49.7 -65.0 -45.0 19.7 2.4 57.3 70 67 A V H X S+ 0 0 1 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.907 104.9 58.6 -58.5 -42.7 16.0 2.3 56.8 71 68 A N H < S+ 0 0 119 -4,-2.2 4,-0.4 1,-0.2 -1,-0.2 0.860 112.0 42.7 -54.0 -36.5 15.5 4.5 60.0 72 69 A N H >X S+ 0 0 95 -4,-1.4 3,-1.3 -3,-0.3 4,-0.7 0.897 109.4 54.2 -75.4 -47.6 17.7 7.0 58.2 73 70 A W H >< S+ 0 0 2 -4,-2.6 3,-0.7 1,-0.3 -2,-0.2 0.817 96.9 67.6 -57.4 -35.4 16.1 6.8 54.8 74 71 A L T 3< S+ 0 0 66 -4,-2.1 -69,-0.3 1,-0.2 -1,-0.3 0.811 103.6 45.4 -55.1 -31.1 12.7 7.5 56.3 75 72 A A T <4 S- 0 0 99 -3,-1.3 -1,-0.2 -4,-0.4 2,-0.2 0.635 130.6 -65.9 -89.0 -17.9 14.0 11.0 57.1 76 73 A G S << S- 0 0 27 -4,-0.7 -1,-0.3 -3,-0.7 0, 0.0 -0.804 78.4 -26.9 150.2 174.8 15.5 11.7 53.7 77 74 A D + 0 0 130 -2,-0.2 2,-0.3 -3,-0.1 -3,-0.0 -0.142 61.0 169.3 -54.6 139.6 18.3 10.6 51.4 78 75 A C - 0 0 54 -9,-0.0 2,-0.1 -5,-0.0 -1,-0.1 -0.858 38.8 -73.8-144.7 175.5 21.4 9.1 53.0 79 76 A E - 0 0 179 -2,-0.3 3,-0.1 1,-0.1 -6,-0.1 -0.474 54.9-104.6 -74.1 151.0 24.6 7.2 52.1 80 77 A L - 0 0 60 -2,-0.1 -1,-0.1 1,-0.1 7,-0.1 -0.281 38.1-100.8 -65.2 157.2 24.3 3.6 51.1 81 78 A P - 0 0 15 0, 0.0 163,-0.2 0, 0.0 -1,-0.1 -0.304 21.5-147.9 -70.5 159.7 25.3 0.9 53.5 82 79 A Q + 0 0 172 -3,-0.1 162,-0.1 161,-0.1 -2,-0.0 0.643 69.1 103.7-101.3 -22.8 28.7 -0.6 52.9 83 80 A M S > S- 0 0 45 1,-0.1 4,-3.3 160,-0.1 3,-0.3 -0.517 77.1-132.5 -61.6 120.8 27.9 -4.0 54.2 84 81 A P H > S+ 0 0 36 0, 0.0 4,-2.5 0, 0.0 159,-0.2 0.855 97.3 45.8 -52.7 -49.0 27.5 -5.9 50.8 85 82 A S H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -36,-0.2 0.892 118.3 45.2 -63.3 -36.1 24.3 -7.8 51.2 86 83 A V H > S+ 0 0 0 -3,-0.3 4,-2.8 2,-0.2 5,-0.4 0.918 111.8 51.8 -70.1 -47.3 22.6 -4.7 52.7 87 84 A A H X S+ 0 0 3 -4,-3.3 4,-2.2 1,-0.2 158,-0.5 0.906 111.2 48.5 -55.8 -43.7 24.0 -2.5 50.0 88 85 A F H X S+ 0 0 0 -4,-2.5 4,-2.0 -5,-0.3 157,-0.3 0.973 114.5 42.3 -59.9 -56.8 22.8 -4.8 47.3 89 86 A G H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.922 117.9 46.0 -58.9 -47.3 19.2 -5.2 48.6 90 87 A V H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.928 111.5 51.3 -64.5 -41.1 18.8 -1.5 49.5 91 88 A S H X S+ 0 0 1 -4,-2.2 4,-1.9 -5,-0.4 -1,-0.2 0.861 109.8 50.1 -67.4 -31.8 20.3 -0.3 46.2 92 89 A C H X S+ 0 0 0 -4,-2.0 4,-2.3 -5,-0.2 -47,-0.2 0.918 109.1 51.4 -69.6 -42.8 17.9 -2.5 44.3 93 90 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.957 111.4 48.3 -58.2 -45.1 14.9 -1.2 46.3 94 91 A L H X S+ 0 0 48 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.888 109.7 52.2 -60.7 -42.0 16.0 2.4 45.5 95 92 A A H <>S+ 0 0 4 -4,-1.9 5,-2.9 1,-0.2 6,-0.7 0.876 108.5 50.5 -62.6 -40.0 16.4 1.5 41.8 96 93 A E H ><5S+ 0 0 15 -4,-2.3 3,-1.2 3,-0.2 -53,-0.2 0.909 106.9 56.3 -64.3 -38.7 12.9 0.1 41.7 97 94 A L H 3<5S+ 0 0 6 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.894 113.5 38.1 -58.6 -44.0 11.6 3.2 43.3 98 95 A T T 3<5S- 0 0 85 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.290 111.6-121.1 -89.3 5.8 13.1 5.4 40.6 99 96 A D T < 5S+ 0 0 110 -3,-1.2 -3,-0.2 -4,-0.2 -4,-0.1 0.847 75.4 128.1 58.0 34.0 12.2 2.8 37.9 100 97 A T < + 0 0 80 -5,-2.9 -4,-0.2 -6,-0.2 -1,-0.1 0.311 45.4 82.3-104.2 6.9 15.9 2.6 37.0 101 98 A L S S- 0 0 2 -6,-0.7 179,-0.1 -9,-0.1 -1,-0.1 -0.943 87.7-127.2-106.0 109.4 16.2 -1.2 37.2 102 99 A P - 0 0 47 0, 0.0 2,-0.2 0, 0.0 181,-0.1 -0.092 9.1-120.3 -62.7 154.2 14.9 -2.3 33.9 103 100 A Q - 0 0 138 179,-0.1 2,-0.4 180,-0.0 0, 0.0 -0.510 35.1-145.5 -82.0 160.5 12.1 -4.9 33.3 104 101 A A - 0 0 23 -2,-0.2 175,-0.1 1,-0.2 176,-0.0 -0.980 25.9-152.0-135.2 152.6 13.2 -7.9 31.3 105 102 A A S S+ 0 0 96 -2,-0.4 2,-0.4 1,-0.1 -1,-0.2 0.939 84.0 63.1 -77.1 -50.3 11.8 -10.3 28.8 106 103 A N - 0 0 92 172,-0.1 2,-0.6 173,-0.1 176,-0.2 -0.654 48.5-179.7 -93.8 130.7 14.1 -13.2 29.7 107 104 A Y + 0 0 51 -2,-0.4 2,-0.3 200,-0.1 168,-0.1 -0.914 40.5 150.8-117.1 82.7 14.3 -15.1 33.1 108 105 A R - 0 0 89 -2,-0.6 2,-0.3 170,-0.1 184,-0.2 -0.803 30.2-176.7-126.0 164.7 17.0 -17.5 32.3 109 106 A A - 0 0 26 -2,-0.3 182,-0.2 182,-0.1 180,-0.1 -0.973 36.4-110.0-156.1 142.3 19.8 -19.5 33.7 110 107 A A - 0 0 5 180,-1.9 183,-0.4 -2,-0.3 2,-0.2 -0.645 52.6-114.2 -71.8 127.4 22.6 -21.8 32.4 111 108 A P - 0 0 32 0, 0.0 23,-2.7 0, 0.0 2,-0.6 -0.583 17.1-128.6 -73.7 139.2 21.4 -25.1 33.8 112 109 A L E -f 134 0D 56 -2,-0.2 2,-0.3 181,-0.2 23,-0.2 -0.708 34.8-159.9 -81.3 116.4 23.5 -26.8 36.4 113 110 A C E +f 135 0D 6 21,-3.3 23,-0.6 -2,-0.6 2,-0.2 -0.799 22.5 141.8-107.6 151.2 24.1 -30.3 35.1 114 111 A N + 0 0 133 -2,-0.3 2,-0.1 21,-0.1 21,-0.0 -0.882 27.7 59.7-159.8-171.0 25.1 -33.6 36.8 115 112 A G S S+ 0 0 53 -2,-0.2 5,-0.1 4,-0.1 -2,-0.0 -0.294 90.7 13.8 78.9-159.0 24.6 -37.3 37.0 116 113 A D > - 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0 0 82 27,-0.6 28,-0.2 1,-0.3 -2,-0.0 0.903 69.8 -59.2 51.1 42.6 36.2 -24.2 43.1 167 164 A R T 3 S+ 0 0 43 27,-3.1 -1,-0.3 26,-0.4 29,-0.2 0.779 97.9 143.1 60.8 30.5 40.0 -24.0 43.4 168 165 A A < + 0 0 36 -3,-1.1 2,-0.2 26,-0.4 28,-0.2 0.804 39.4 76.9 -70.3 -38.5 40.2 -27.7 43.6 169 166 A W B -l 196 0E 6 26,-2.3 28,-2.0 25,-0.2 29,-0.3 -0.572 57.5-143.5 -95.2 154.6 43.4 -28.6 41.7 170 167 A T > - 0 0 55 -2,-0.2 4,-2.6 26,-0.2 5,-0.2 -0.486 49.7 -97.6 -87.6 167.0 47.1 -28.5 41.8 171 168 A P H > S+ 0 0 54 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.873 126.7 53.2 -54.3 -35.4 48.9 -27.7 38.6 172 169 A L H > S+ 0 0 122 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.937 108.1 47.6 -67.6 -44.3 49.3 -31.5 38.1 173 170 A K H > S+ 0 0 110 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.899 109.3 53.6 -63.3 -40.6 45.7 -32.3 38.5 174 171 A G H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.902 110.5 48.6 -58.6 -39.7 44.7 -29.5 36.1 175 172 A Q H X S+ 0 0 87 -4,-1.8 4,-2.3 -5,-0.2 -2,-0.2 0.893 109.6 51.6 -65.2 -41.3 47.1 -31.0 33.6 176 173 A Q H X S+ 0 0 26 -4,-2.3 4,-0.7 1,-0.2 -2,-0.2 0.932 111.9 47.4 -65.9 -38.5 45.6 -34.4 34.2 177 174 A F H >< S+ 0 0 0 -4,-2.9 3,-1.3 1,-0.2 4,-0.4 0.971 112.7 47.9 -60.6 -55.3 42.2 -33.0 33.6 178 175 A A H >< S+ 0 0 3 -4,-2.7 3,-2.0 1,-0.3 -2,-0.2 0.840 98.9 67.2 -59.6 -35.0 43.2 -31.1 30.4 179 176 A K H 3< S+ 0 0 142 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.770 98.5 54.3 -54.6 -34.4 45.0 -34.1 28.8 180 177 A Y T << S+ 0 0 90 -3,-1.3 2,-0.6 -4,-0.7 -1,-0.3 0.585 91.8 86.2 -81.5 -8.5 41.7 -35.9 28.4 181 178 A V S < S- 0 0 0 -3,-2.0 5,-0.1 -4,-0.4 -34,-0.1 -0.814 85.9-120.8-101.8 118.5 40.1 -32.9 26.6 182 179 A N >> - 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0 0 0 -6,-0.5 -1,-0.3 -5,-0.2 -2,-0.2 -0.857 57.8-122.5 -93.2 120.4 41.6 -23.6 28.4 212 209 A A - 0 0 17 -2,-0.6 -20,-2.0 -23,-0.4 2,-0.2 -0.311 30.0-161.9 -59.6 140.3 39.8 -20.3 29.3 213 210 A I E -ij 192 232D 0 18,-3.0 20,-3.0 -22,-0.3 21,-1.2 -0.700 6.8-156.4-118.4 171.4 39.4 -19.6 32.9 214 211 A A E -ij 193 234D 0 -22,-1.6 -20,-2.5 -2,-0.2 2,-0.4 -0.984 14.9-127.2-140.4 157.0 37.3 -17.3 35.0 215 212 A W E + j 0 235D 1 19,-2.0 21,-2.5 -2,-0.3 -22,-0.1 -0.828 37.7 146.9-106.3 149.6 37.5 -15.7 38.3 216 213 A D S > S+ 0 0 7 -2,-0.4 3,-2.0 19,-0.2 4,-0.4 0.272 76.5 29.4-137.1 -86.0 34.8 -16.0 40.9 217 214 A E G > S+ 0 0 52 1,-0.3 3,-1.5 2,-0.2 4,-0.4 0.779 112.6 68.9 -49.1 -40.7 35.9 -16.1 44.6 218 215 A S G > S+ 0 0 0 1,-0.3 3,-1.2 2,-0.2 -1,-0.3 0.795 86.5 66.8 -53.5 -32.9 38.9 -14.1 43.6 219 216 A L G < S+ 0 0 15 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.754 101.8 48.1 -61.5 -25.5 36.7 -11.0 43.0 220 217 A R G < S+ 0 0 70 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.467 89.6 102.6 -95.2 -7.4 35.8 -10.8 46.7 221 218 A E S X S- 0 0 71 -3,-1.2 3,-1.8 -4,-0.4 -3,-0.0 -0.512 84.7 -95.1 -76.8 149.7 39.4 -11.1 48.0 222 219 A P T 3 S+ 0 0 113 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.336 108.1 20.1 -65.3 140.9 41.1 -8.1 49.1 223 220 A D T 3 S+ 0 0 164 1,-0.3 -3,-0.1 -4,-0.1 -4,-0.1 0.451 81.9 155.9 81.5 1.7 43.3 -6.4 46.6 224 221 A F < - 0 0 32 -3,-1.8 2,-0.4 -6,-0.1 -1,-0.3 -0.373 20.9-169.1 -58.8 143.6 41.6 -8.0 43.6 225 222 A A - 0 0 59 2,-0.0 2,-0.6 -2,-0.0 -1,-0.0 -0.999 25.4-118.5-135.4 138.3 42.1 -6.0 40.4 226 223 A F + 0 0 49 -2,-0.4 2,-0.4 -7,-0.0 9,-0.0 -0.630 50.7 162.1 -72.7 118.2 40.3 -6.4 37.1 227 224 A V - 0 0 64 -2,-0.6 2,-0.3 2,-0.0 -2,-0.0 -0.994 46.6-112.0-148.7 148.9 43.0 -7.1 34.6 228 225 A A + 0 0 62 -2,-0.4 2,-0.3 32,-0.0 5,-0.1 -0.593 44.7 167.2 -69.9 126.9 43.6 -8.5 31.2 229 226 A E > - 0 0 33 -2,-0.3 3,-2.0 3,-0.3 -2,-0.0 -0.985 43.7 -97.1-143.4 134.1 45.5 -11.7 31.6 230 227 A E T 3 S+ 0 0 156 -2,-0.3 -23,-0.2 1,-0.2 3,-0.1 -0.340 109.7 13.2 -55.3 132.0 46.2 -14.3 28.9 231 228 A G T 3 S+ 0 0 14 1,-0.3 -18,-3.0 -25,-0.1 2,-0.7 0.325 93.9 118.9 86.5 -12.9 43.6 -17.2 29.2 232 229 A V E < +j 213 0D 0 -3,-2.0 -3,-0.3 -20,-0.2 -1,-0.3 -0.792 29.3 162.4 -86.0 118.6 41.3 -15.3 31.5 233 230 A R E + 0 0 111 -20,-3.0 28,-2.6 -2,-0.7 2,-0.3 0.657 51.7 15.8-114.5 -17.4 38.1 -15.0 29.7 234 231 A A E -jk 214 261D 0 -21,-1.2 -19,-2.0 26,-0.2 2,-0.4 -0.990 49.5-143.0-153.0 165.8 35.5 -14.1 32.3 235 232 A V E -jk 215 262D 0 26,-2.3 28,-2.4 -2,-0.3 2,-0.6 -0.957 17.6-140.8-131.2 143.5 34.5 -13.0 35.8 236 233 A V E - k 0 263D 1 -21,-2.5 2,-0.7 -2,-0.4 -17,-0.2 -0.941 17.9-163.5-108.6 113.2 31.6 -14.2 37.9 237 234 A I E - k 0 264D 1 26,-3.0 28,-2.7 -2,-0.6 3,-0.1 -0.881 7.7-169.7-108.0 114.4 29.9 -11.4 39.8 238 235 A K >> - 0 0 24 -2,-0.7 3,-1.7 26,-0.2 4,-0.7 -0.831 8.3-160.6-102.3 96.4 27.7 -12.4 42.7 239 236 A P H >> S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 3,-1.6 0.820 85.8 57.2 -47.0 -45.7 25.9 -9.2 43.7 240 237 A T H 34 S+ 0 0 0 1,-0.3 -152,-0.2 2,-0.2 -151,-0.1 0.816 113.9 39.8 -59.4 -31.2 24.9 -10.3 47.1 241 238 A L H <4 S+ 0 0 15 -3,-1.7 -1,-0.3 -157,-0.1 -156,-0.1 0.434 118.0 52.1 -92.7 -3.2 28.5 -10.8 48.0 242 239 A T H << S- 0 0 6 -3,-1.6 2,-0.3 -4,-0.7 -2,-0.2 0.843 96.8-127.6-100.6 -52.8 29.7 -7.7 46.1 243 240 A G < + 0 0 4 -4,-2.4 -1,-0.3 -159,-0.2 5,-0.1 -0.981 59.1 25.5 137.4-142.9 27.6 -4.7 47.3 244 241 A S > - 0 0 18 -2,-0.3 4,-3.2 -163,-0.2 5,-0.2 -0.027 65.3-119.0 -61.5 157.1 25.6 -2.1 45.5 245 242 A L H > S+ 0 0 6 -158,-0.5 4,-2.7 -157,-0.3 5,-0.2 0.888 119.4 54.2 -56.4 -38.1 23.9 -2.3 42.1 246 243 A E H > S+ 0 0 109 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.935 107.7 47.5 -66.3 -40.9 26.2 0.6 41.1 247 244 A K H > S+ 0 0 97 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.925 112.3 52.3 -64.0 -41.1 29.3 -1.3 42.2 248 245 A V H X S+ 0 0 0 -4,-3.2 4,-2.4 1,-0.2 5,-0.2 0.946 109.2 47.8 -59.0 -48.0 28.0 -4.3 40.3 249 246 A R H X S+ 0 0 125 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.900 109.3 53.9 -62.0 -38.5 27.5 -2.3 37.2 250 247 A E H X S+ 0 0 124 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.908 108.1 50.8 -60.5 -40.8 31.0 -0.9 37.6 251 248 A Q H X S+ 0 0 19 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.932 109.6 48.9 -63.8 -42.6 32.4 -4.4 37.8 252 249 A V H X S+ 0 0 5 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.921 111.9 50.0 -61.5 -41.9 30.6 -5.4 34.6 253 250 A Q H X S+ 0 0 124 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.921 108.9 51.7 -64.3 -38.3 31.9 -2.3 32.9 254 251 A A H X S+ 0 0 25 -4,-2.4 4,-1.4 1,-0.2 6,-0.2 0.935 111.2 48.0 -62.6 -47.5 35.4 -3.1 34.1 255 252 A A H <>S+ 0 0 0 -4,-2.7 5,-3.0 1,-0.2 3,-0.5 0.937 112.4 47.4 -59.2 -48.7 35.2 -6.6 32.7 256 253 A H H ><5S+ 0 0 83 -4,-2.9 3,-1.8 1,-0.2 -1,-0.2 0.880 105.9 58.0 -61.8 -37.5 33.8 -5.5 29.4 257 254 A A H 3<5S+ 0 0 85 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.811 108.3 48.5 -60.6 -29.1 36.4 -2.8 29.1 258 255 A L T 3<5S- 0 0 60 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.280 121.0-109.3 -92.4 6.3 39.0 -5.6 29.3 259 256 A G T < 5S+ 0 0 52 -3,-1.8 2,-0.2 1,-0.3 -3,-0.2 0.665 75.3 138.9 72.1 18.3 37.2 -7.7 26.7 260 257 A L < - 0 0 6 -5,-3.0 2,-0.3 -6,-0.2 -1,-0.3 -0.641 56.0-120.0 -91.5 152.8 36.1 -10.2 29.5 261 258 A T E -k 234 0D 58 -28,-2.6 -26,-2.3 -2,-0.2 2,-0.5 -0.684 24.8-151.3 -84.3 141.8 32.7 -11.7 29.8 262 259 A A E -k 235 0D 0 -2,-0.3 2,-0.5 -28,-0.2 -26,-0.2 -0.982 7.6-163.1-116.9 131.9 30.9 -10.9 33.0 263 260 A V E -k 236 0D 3 -28,-2.4 -26,-3.0 -2,-0.5 2,-0.5 -0.956 14.6-138.6-117.1 128.7 28.4 -13.4 34.3 264 261 A I E -k 237 0D 0 -2,-0.5 27,-2.6 24,-0.3 2,-0.3 -0.780 33.9-165.7 -84.3 130.7 25.8 -12.3 36.9 265 262 A S B -m 291 0F 11 -28,-2.7 27,-0.2 -2,-0.5 2,-0.1 -0.915 17.3-110.2-132.9 147.5 25.6 -15.1 39.4 266 263 A S - 0 0 9 25,-2.7 27,-0.1 -2,-0.3 -28,-0.0 -0.364 10.4-169.0 -72.7 144.3 23.4 -16.4 42.3 267 264 A S S S- 0 0 1 -2,-0.1 -1,-0.1 25,-0.1 -213,-0.1 -0.206 70.1 -87.9-115.1 32.0 24.3 -16.4 45.9 268 265 A I S S+ 0 0 10 1,-0.1 2,-0.1 -217,-0.1 5,-0.0 0.905 70.9 173.1 63.3 43.5 21.2 -18.7 46.5 269 266 A E - 0 0 0 1,-0.1 -1,-0.1 2,-0.1 25,-0.1 -0.429 37.2 -99.1 -73.5 164.1 18.8 -15.7 46.9 270 267 A S > - 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