==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE, BIOSYNTHETIC PROTEIN 22-MAR-11 3R76 . COMPND 2 MOLECULE: ANTHRANILATE/PARA-AMINOBENZOATE SYNTHASES COMPONE . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA SP.; . AUTHOR Q.A.LI,D.V.MAVRODI,L.S.THOMASHOW,M.ROESSLE,W.BLANKENFELDT . 1234 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44376.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 865 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 3.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 279 22.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 97 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 125 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 277 22.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.3 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 0 0 1 5 2 4 0 4 2 0 4 0 2 0 0 2 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 4 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 PARALLEL BRIDGES PER LADDER . 3 7 7 14 4 6 6 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 3 0 0 0 0 2 2 2 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 R 0 0 107 0, 0.0 5,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 108.6 36.1 58.7 47.0 2 8 A N > - 0 0 63 1,-0.1 4,-1.6 4,-0.0 5,-0.1 0.007 360.0-100.5 -65.2 175.0 33.2 57.4 44.9 3 9 A L H > S+ 0 0 1 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.900 120.2 57.0 -65.2 -41.9 31.4 54.1 45.6 4 10 A F H > S+ 0 0 6 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.848 107.7 47.5 -62.2 -36.0 33.3 52.2 42.9 5 11 A D H > S+ 0 0 61 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.856 111.3 51.3 -71.0 -40.1 36.7 53.1 44.5 6 12 A R H <>S+ 0 0 64 -4,-1.6 5,-2.0 2,-0.2 6,-0.6 0.949 110.6 48.3 -60.8 -44.8 35.4 52.1 47.8 7 13 A V H ><5S+ 0 0 3 -4,-3.3 3,-1.6 1,-0.2 5,-0.3 0.963 109.6 54.5 -58.1 -47.1 34.3 48.8 46.3 8 14 A L H 3<5S+ 0 0 24 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.760 109.2 47.1 -57.1 -30.9 37.8 48.5 44.7 9 15 A H T 3<5S- 0 0 137 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.056 117.5-104.9-104.2 25.8 39.5 48.9 48.1 10 16 A G T < 5S+ 0 0 66 -3,-1.6 -3,-0.2 1,-0.1 -2,-0.1 0.628 85.7 124.1 66.5 13.2 37.4 46.4 50.1 11 17 A Q < + 0 0 123 -5,-2.0 -4,-0.2 -6,-0.2 -1,-0.1 0.478 61.1 70.1 -82.2 -3.1 35.5 49.2 51.9 12 18 A A - 0 0 12 -6,-0.6 3,-0.2 -5,-0.3 -1,-0.1 -0.888 60.0-173.4-116.5 100.0 32.2 47.7 50.7 13 19 A P S S+ 0 0 107 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.802 80.9 33.8 -63.9 -22.8 31.4 44.4 52.4 14 20 A C S S+ 0 0 7 17,-0.1 17,-1.1 165,-0.1 2,-0.3 -0.943 82.5 136.0-137.1 117.2 28.4 43.9 50.2 15 21 A F E -AB 30 178A 6 163,-1.8 163,-3.2 -2,-0.4 2,-0.4 -0.955 33.5-146.3-155.4 166.9 28.2 45.1 46.5 16 22 A A E -AB 29 177A 1 13,-2.1 13,-3.1 -2,-0.3 2,-0.5 -0.997 1.2-165.2-141.4 135.8 27.4 44.6 42.9 17 23 A L E +AB 28 176A 0 159,-2.3 159,-1.9 -2,-0.4 2,-0.5 -0.992 21.4 179.4-110.4 122.6 28.9 45.6 39.6 18 24 A I E -AB 27 175A 0 9,-2.8 9,-2.8 -2,-0.5 2,-0.8 -0.976 19.7-162.7-132.4 117.9 26.4 45.1 36.8 19 25 A A E - B 0 174A 12 155,-3.5 155,-2.1 -2,-0.5 7,-0.2 -0.913 31.5-173.2 -97.4 108.8 27.1 45.9 33.2 20 26 A R 0 0 74 -2,-0.8 5,-0.2 5,-0.5 153,-0.1 -0.349 360.0 360.0-108.0-175.5 23.6 46.0 31.7 21 27 A S 0 0 130 151,-0.1 -2,-0.1 -2,-0.1 3,-0.0 -0.620 360.0 360.0 59.9 360.0 21.8 46.2 28.3 22 ! 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 23 34 A R 0 0 129 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 140.7 29.9 54.8 26.4 24 35 A A - 0 0 75 -3,-0.0 69,-2.9 -5,-0.0 70,-0.4 -0.622 360.0-156.3 -68.6 135.1 29.0 51.5 28.1 25 36 A M E - C 0 92A 85 -2,-0.3 -5,-0.5 67,-0.2 2,-0.5 -0.849 9.3-139.3-117.8 150.3 28.4 52.2 31.8 26 37 A I E - C 0 91A 0 65,-3.2 65,-2.6 -2,-0.3 2,-0.5 -0.936 16.8-135.0-108.2 133.3 28.6 49.9 34.8 27 38 A D E -AC 18 90A 18 -9,-2.8 -9,-2.8 -2,-0.5 2,-0.5 -0.771 18.7-157.8 -84.1 133.1 26.1 50.1 37.5 28 39 A V E -AC 17 89A 0 61,-3.6 61,-2.4 -2,-0.5 2,-0.3 -0.959 13.7-179.2-119.6 116.7 27.6 50.1 41.0 29 40 A F E +AC 16 88A 4 -13,-3.1 -13,-2.1 -2,-0.5 2,-0.3 -0.845 7.9 166.1-116.2 150.2 25.5 49.0 43.9 30 41 A A E +AC 15 87A 4 57,-2.0 57,-2.7 -2,-0.3 56,-0.4 -0.967 20.8 97.0-155.4 150.7 26.0 48.7 47.7 31 42 A G - 0 0 19 -17,-1.1 2,-0.3 -2,-0.3 54,-0.1 -0.985 62.0 -18.7 166.2-151.6 23.9 48.3 50.8 32 43 A A - 0 0 53 -2,-0.3 52,-2.2 52,-0.2 2,-0.4 -0.558 46.5-140.9 -92.5 139.6 22.5 45.9 53.4 33 44 A V E +I 83 0B 54 -2,-0.3 2,-0.3 50,-0.2 50,-0.2 -0.734 25.8 162.5 -92.4 137.9 22.0 42.1 53.0 34 45 A S E -I 82 0B 50 48,-2.1 48,-2.7 -2,-0.4 0, 0.0 -0.962 30.1-142.6-143.5 166.7 19.1 40.2 54.3 35 46 A Y - 0 0 116 -2,-0.3 46,-0.2 46,-0.2 45,-0.1 -0.732 23.5-164.7-129.5 77.1 17.7 36.8 53.6 36 47 A P - 0 0 22 0, 0.0 44,-0.5 0, 0.0 6,-0.1 -0.221 23.4-124.8 -66.3 163.6 13.9 37.0 53.7 37 48 A S S S+ 0 0 98 1,-0.1 2,-0.3 42,-0.1 3,-0.1 0.652 83.2 7.7 -88.1 -21.0 11.9 33.8 53.9 38 49 A S S S- 0 0 28 1,-0.1 3,-0.3 42,-0.1 4,-0.2 -0.964 73.4-106.7-150.1 165.3 9.7 34.3 50.9 39 50 A L S > S+ 0 0 0 -2,-0.3 3,-1.2 1,-0.2 -1,-0.1 0.803 118.7 64.2 -59.9 -35.3 9.2 36.5 47.9 40 51 A A T 3 S+ 0 0 60 1,-0.2 -1,-0.2 242,-0.1 242,-0.1 0.910 101.9 51.1 -52.2 -39.3 6.1 37.8 49.8 41 52 A E T 3 S+ 0 0 52 -3,-0.3 -1,-0.2 2,-0.1 -2,-0.2 0.409 73.0 134.9 -91.4 4.3 8.5 39.2 52.4 42 53 A L < - 0 0 7 -3,-1.2 2,-2.0 -4,-0.2 240,-0.1 -0.250 68.7-110.7 -48.7 134.4 11.0 41.1 50.2 43 54 A P + 0 0 64 0, 0.0 2,-0.5 0, 0.0 -1,-0.2 -0.444 57.9 156.9 -76.9 83.2 11.6 44.4 51.9 44 55 A L - 0 0 25 -2,-2.0 13,-0.0 13,-0.0 2,-0.0 -0.922 31.4-140.4-109.5 131.5 9.8 46.7 49.4 45 56 A A - 0 0 63 -2,-0.5 3,-0.1 1,-0.2 11,-0.0 -0.178 33.7 -83.1 -77.1 173.5 8.6 50.1 50.4 46 57 A A - 0 0 73 1,-0.2 -1,-0.2 -2,-0.0 0, 0.0 -0.367 67.9 -71.0 -67.7 160.2 5.3 51.7 49.3 47 58 A P + 0 0 94 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.197 58.1 168.1 -58.9 139.4 5.4 53.5 46.0 48 59 A T - 0 0 75 282,-0.2 2,-0.5 -3,-0.1 282,-0.2 -0.974 24.8-153.0-150.6 141.1 7.2 56.7 45.6 49 60 A A + 0 0 59 -2,-0.3 280,-0.1 280,-0.2 279,-0.1 -0.983 12.5 177.9-111.2 123.0 8.3 58.8 42.6 50 61 A T - 0 0 91 2,-0.5 279,-0.1 -2,-0.5 278,-0.1 0.498 56.6-100.5-101.6 -9.2 11.4 60.8 43.3 51 62 A G S S+ 0 0 59 277,-1.7 2,-0.3 1,-0.3 277,-0.2 0.255 99.5 61.2 102.2 -9.8 11.6 62.3 39.8 52 63 A A S S- 0 0 57 276,-0.2 -2,-0.5 275,-0.2 -1,-0.3 -0.952 95.9 -86.0-138.1 162.9 14.4 59.9 38.6 53 64 A D - 0 0 104 -2,-0.3 2,-0.4 -3,-0.1 274,-0.2 -0.459 49.8-177.1 -63.6 134.6 14.8 56.2 38.1 54 65 A R E -J 326 0B 89 272,-2.7 272,-2.9 -2,-0.1 2,-0.3 -0.991 22.0-138.2-142.4 132.5 15.9 54.5 41.3 55 66 A Q E +J 325 0B 23 -2,-0.4 270,-0.3 270,-0.3 3,-0.1 -0.675 19.1 178.4 -84.9 137.2 16.7 50.9 42.1 56 67 A E E + 0 0 19 268,-3.0 29,-2.7 -2,-0.3 2,-0.4 0.818 59.4 15.0-103.6 -51.6 15.4 49.6 45.4 57 68 A L E -JK 324 84B 2 267,-2.0 267,-2.9 27,-0.2 2,-0.5 -0.974 47.9-155.7-133.8 140.6 16.5 45.9 45.8 58 69 A L E -JK 323 83B 1 25,-3.0 25,-2.9 -2,-0.4 2,-0.4 -0.979 29.3-170.3-111.4 123.3 18.9 43.5 44.2 59 70 A V E -JK 322 82B 0 263,-3.0 263,-2.9 -2,-0.5 2,-0.6 -0.940 20.7-159.5-123.8 137.4 17.6 40.0 44.7 60 71 A M E -JK 321 81B 0 21,-2.6 21,-2.1 -2,-0.4 261,-0.2 -0.952 13.3-162.0-114.5 114.4 19.1 36.6 44.1 61 72 A V E -J 320 0B 0 259,-3.1 259,-1.3 -2,-0.6 2,-0.1 -0.854 10.5-148.0 -99.9 122.6 16.5 33.8 43.8 62 73 A P > - 0 0 0 0, 0.0 3,-1.9 0, 0.0 254,-0.3 -0.506 25.0-109.3 -89.0 162.8 17.8 30.4 44.3 63 74 A Y G > S+ 0 0 6 252,-2.2 3,-1.9 1,-0.3 253,-0.1 0.861 114.5 63.8 -55.3 -40.2 16.5 27.2 42.7 64 75 A R G > S+ 0 0 54 251,-0.5 3,-1.9 1,-0.3 -1,-0.3 0.651 78.1 85.6 -60.5 -14.9 15.0 25.9 45.9 65 76 A Q G X + 0 0 2 -3,-1.9 3,-2.2 1,-0.3 -1,-0.3 0.688 63.3 90.5 -61.6 -16.5 12.6 28.9 46.0 66 77 A L G X > + 0 0 0 -3,-1.9 3,-2.3 1,-0.3 5,-1.5 0.645 63.1 83.5 -55.4 -15.4 10.4 26.7 43.8 67 78 A H G X 5S+ 0 0 89 -3,-1.9 3,-2.6 1,-0.3 -1,-0.3 0.925 77.5 68.8 -53.4 -38.8 8.9 25.4 47.1 68 79 A E G < 5S+ 0 0 43 -3,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.634 101.7 46.7 -55.0 -11.7 6.7 28.6 46.9 69 80 A R G < 5S- 0 0 37 -3,-2.3 -1,-0.3 2,-0.2 -2,-0.2 0.360 119.5-105.4-112.8 3.1 5.0 27.0 43.9 70 81 A G T < 5S+ 0 0 64 -3,-2.6 2,-0.2 1,-0.3 -3,-0.2 0.513 77.3 136.0 84.3 7.2 4.4 23.5 45.3 71 82 A F < - 0 0 18 -5,-1.5 -1,-0.3 1,-0.1 2,-0.3 -0.614 54.8-117.4 -92.8 149.2 7.2 22.1 43.3 72 83 A K + 0 0 63 -2,-0.2 2,-0.3 228,-0.2 235,-0.2 -0.625 37.9 164.5 -86.8 136.9 9.9 19.6 44.6 73 84 A T - 0 0 29 -2,-0.3 2,-0.7 -9,-0.1 240,-0.1 -0.958 49.0 -99.1-140.0 158.0 13.6 20.5 44.7 74 85 A H - 0 0 70 -2,-0.3 2,-0.7 238,-0.2 240,-0.4 -0.744 48.7-136.0 -71.8 114.4 16.6 19.1 46.4 75 86 A D + 0 0 102 -2,-0.7 238,-0.1 1,-0.1 -1,-0.0 -0.727 36.1 167.0 -88.6 114.4 16.7 21.6 49.2 76 87 A D - 0 0 73 -2,-0.7 -1,-0.1 239,-0.1 -2,-0.0 0.176 54.7-110.6-111.2 14.1 20.2 22.9 49.8 77 88 A G + 0 0 49 1,-0.2 -2,-0.1 238,-0.0 0, 0.0 0.523 54.9 166.2 73.7 6.5 19.3 25.8 52.1 78 89 A A - 0 0 10 1,-0.1 -1,-0.2 237,-0.0 2,-0.1 -0.303 32.4-130.8 -57.6 118.5 20.3 28.5 49.5 79 90 A P - 0 0 40 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.430 10.5-113.5 -74.7 152.0 18.8 31.7 50.8 80 91 A L - 0 0 2 -44,-0.5 2,-0.5 -19,-0.1 -19,-0.2 -0.717 43.8-149.4 -67.5 115.6 16.7 34.3 49.0 81 92 A V E - K 0 60B 2 -21,-2.1 -21,-2.6 -2,-0.6 2,-0.4 -0.862 19.4-176.3-100.6 135.4 19.1 37.1 49.0 82 93 A A E -IK 34 59B 0 -48,-2.7 -48,-2.1 -2,-0.5 2,-0.5 -0.993 3.5-172.4-129.6 124.7 18.1 40.7 49.1 83 94 A I E -IK 33 58B 5 -25,-2.9 -25,-3.0 -2,-0.4 2,-0.4 -0.967 21.5-135.8-116.1 123.4 20.5 43.6 48.9 84 95 A T E - K 0 57B 34 -52,-2.2 2,-2.3 -2,-0.5 3,-0.3 -0.698 16.1-129.7 -83.0 129.0 19.1 47.0 49.5 85 96 A C + 0 0 13 -29,-2.7 -54,-0.2 -2,-0.4 -1,-0.1 -0.444 47.0 156.0 -78.2 67.7 20.4 49.5 47.0 86 97 A D S S+ 0 0 110 -2,-2.3 2,-0.4 -56,-0.4 -1,-0.2 0.858 71.4 26.7 -63.5 -39.3 21.4 52.0 49.6 87 98 A E E +C 30 0A 73 -57,-2.7 -57,-2.0 -3,-0.3 2,-0.3 -0.968 68.8 174.6-126.7 145.1 24.0 53.4 47.2 88 99 A H E +C 29 0A 71 -2,-0.4 2,-0.3 -59,-0.2 -59,-0.2 -0.916 6.7 159.4-153.0 117.4 24.0 53.4 43.5 89 100 A E E -C 28 0A 72 -61,-2.4 -61,-3.6 -2,-0.3 2,-0.4 -0.882 28.8-134.0-131.0 167.2 26.4 55.0 41.1 90 101 A T E -C 27 0A 79 -2,-0.3 2,-0.3 -63,-0.2 -63,-0.2 -0.969 20.6-172.7-119.0 139.4 27.3 54.5 37.5 91 102 A V E -C 26 0A 23 -65,-2.6 -65,-3.2 -2,-0.4 2,-0.2 -0.947 35.7 -95.4-128.8 152.0 30.9 54.4 36.2 92 103 A S E > -C 25 0A 28 -2,-0.3 4,-2.5 -67,-0.2 5,-0.3 -0.475 31.6-134.0 -65.2 131.2 32.3 54.3 32.7 93 104 A A H > S+ 0 0 8 -69,-2.9 4,-2.6 1,-0.2 5,-0.2 0.924 102.8 47.5 -56.2 -45.3 33.1 50.7 31.8 94 105 A Q H > S+ 0 0 72 -70,-0.4 4,-1.5 1,-0.2 -1,-0.2 0.867 113.3 47.9 -63.8 -38.0 36.5 51.4 30.3 95 106 A L H > S+ 0 0 86 -3,-0.2 4,-1.4 624,-0.2 -1,-0.2 0.917 112.2 49.3 -69.2 -44.9 37.6 53.6 33.3 96 107 A A H >X S+ 0 0 0 -4,-2.5 4,-1.2 1,-0.2 3,-0.8 0.954 109.7 50.5 -57.0 -53.9 36.4 51.0 35.8 97 108 A L H 3< S+ 0 0 10 -4,-2.6 3,-0.5 1,-0.3 -1,-0.2 0.861 107.9 53.6 -59.6 -36.1 38.2 48.2 34.1 98 109 A A H 3< S+ 0 0 20 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.809 107.7 52.2 -68.3 -28.1 41.5 50.2 34.0 99 110 A A H << S+ 0 0 48 -4,-1.4 -1,-0.2 -3,-0.8 -2,-0.2 0.746 88.8 96.7 -77.6 -22.8 41.2 50.7 37.7 100 111 A I S < S- 0 0 2 -4,-1.2 2,-0.1 -3,-0.5 -92,-0.0 -0.570 73.4-134.0 -77.7 117.3 40.7 46.9 38.4 101 112 A P - 0 0 85 0, 0.0 61,-0.1 0, 0.0 -2,-0.1 -0.401 20.3-118.4 -67.6 141.1 44.0 45.2 39.4 102 113 A D - 0 0 114 -2,-0.1 2,-0.3 60,-0.0 57,-0.1 -0.194 36.6-179.7 -70.1 169.1 44.8 41.9 37.7 103 114 A A - 0 0 30 53,-0.1 2,-0.6 56,-0.1 -1,-0.0 -0.978 37.8 -92.0-166.3 156.4 45.2 38.8 39.9 104 115 A D + 0 0 111 -2,-0.3 280,-0.1 1,-0.1 46,-0.1 -0.739 46.4 161.5 -79.7 118.6 45.9 35.1 39.7 105 116 A T + 0 0 2 -2,-0.6 -1,-0.1 278,-0.4 2,-0.1 -0.013 14.7 151.4-128.2 25.0 42.5 33.5 39.3 106 117 A A - 0 0 41 1,-0.1 2,-0.6 278,-0.0 44,-0.5 -0.360 47.6-121.8 -60.6 132.9 43.7 30.1 38.0 107 118 A L - 0 0 14 273,-0.2 3,-0.5 42,-0.1 2,-0.3 -0.724 24.6-148.5 -83.3 116.7 41.2 27.3 39.0 108 119 A G E S+D 148 0A 33 40,-3.1 40,-2.4 -2,-0.6 3,-0.2 -0.611 76.2 7.6 -82.0 143.7 42.8 24.6 41.0 109 120 A E E S- 0 0 78 -2,-0.3 2,-0.5 1,-0.2 -1,-0.2 0.940 88.7-169.2 52.5 50.7 41.7 20.9 40.8 110 121 A R E + 0 0 107 -3,-0.5 2,-0.3 37,-0.1 37,-0.2 -0.649 23.5 125.9 -79.4 118.1 39.4 22.0 37.9 111 122 A H E -D 146 0A 93 35,-2.4 35,-2.7 -2,-0.5 2,-0.3 -0.986 57.8 -97.3-167.1 159.9 36.8 19.4 36.9 112 123 A F E -D 145 0A 25 -2,-0.3 33,-0.2 33,-0.2 3,-0.1 -0.648 23.5-138.9 -83.6 139.2 33.2 18.5 36.3 113 124 A D S S+ 0 0 61 31,-2.4 2,-0.5 -2,-0.3 -1,-0.1 0.855 102.9 38.2 -63.8 -37.8 31.3 16.8 39.1 114 125 A I S S- 0 0 33 30,-0.2 -1,-0.2 4,-0.0 -2,-0.0 -0.977 94.3-143.7-112.2 113.3 29.7 14.6 36.5 115 126 A D > - 0 0 98 -2,-0.5 4,-3.4 -3,-0.1 5,-0.3 -0.144 28.4 -92.8 -74.1 171.3 32.2 13.7 33.8 116 127 A D H > S+ 0 0 67 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.901 123.6 46.3 -53.8 -52.0 31.5 13.4 30.1 117 128 A E H > S+ 0 0 75 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.973 117.2 45.8 -59.0 -49.9 30.8 9.6 30.0 118 129 A A H > S+ 0 0 42 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.908 113.5 48.5 -57.1 -46.5 28.5 9.9 33.1 119 130 A Y H X S+ 0 0 0 -4,-3.4 4,-2.6 1,-0.2 -1,-0.2 0.904 108.8 54.0 -64.5 -40.7 26.7 13.0 31.7 120 131 A A H X S+ 0 0 23 -4,-2.8 4,-2.3 -5,-0.3 -1,-0.2 0.888 106.6 51.3 -58.4 -41.3 26.2 11.3 28.4 121 132 A E H X S+ 0 0 44 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.928 110.7 49.1 -64.6 -41.0 24.5 8.3 30.1 122 133 A I H X S+ 0 0 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13.5 22.8 367 378 A S H > S+ 0 0 41 -3,-0.2 4,-3.2 2,-0.2 -1,-0.2 0.911 107.4 51.0 -56.9 -46.9 26.8 16.8 21.1 368 379 A E H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.886 109.2 52.4 -62.4 -34.6 25.0 17.9 24.3 369 380 A V H X S+ 0 0 7 -4,-2.0 4,-1.7 -5,-0.2 -2,-0.2 0.961 111.7 44.9 -59.5 -49.8 28.2 17.1 26.2 370 381 A M H X S+ 0 0 90 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.901 108.9 58.5 -62.8 -38.2 30.2 19.3 23.7 371 382 A E H X S+ 0 0 1 -4,-3.2 4,-2.0 1,-0.2 -1,-0.2 0.911 103.4 51.4 -58.9 -41.6 27.4 22.0 24.1 372 383 A T H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.932 109.6 50.2 -63.8 -40.4 28.0 22.2 27.8 373 384 A H H X S+ 0 0 59 -4,-1.7 4,-0.6 1,-0.2 -2,-0.2 0.916 110.3 49.7 -60.8 -44.8 31.8 22.7 27.2 374 385 A A H >< S+ 0 0 15 -4,-2.5 3,-0.5 1,-0.2 4,-0.5 0.873 109.6 52.5 -62.2 -37.8 31.1 25.5 24.7 375 386 A K H 3< S+ 0 0 24 -4,-2.0 4,-0.4 1,-0.2 3,-0.3 0.856 113.4 40.7 -69.9 -36.4 28.7 27.2 27.2 376 387 A V H 3X S+ 0 0 3 -4,-1.9 4,-3.0 1,-0.2 -1,-0.2 0.549 94.0 94.3 -86.1 -1.4 31.1 27.3 30.1 377 388 A A H S+ 0 0 13 -4,-0.5 4,-1.4 -3,-0.3 -1,-0.2 0.926 117.9 44.8 -62.7 -47.0 34.1 32.0 28.0 379 390 A L H >> S+ 0 0 7 -4,-0.4 4,-1.2 2,-0.2 3,-0.7 0.965 113.5 51.2 -60.8 -48.7 33.6 32.1 31.8 380 391 A S H >X S+ 0 0 8 -4,-3.0 4,-2.3 1,-0.3 3,-0.6 0.890 110.0 49.3 -56.8 -43.2 36.2 29.3 32.2 381 392 A N H 3< S+ 0 0 44 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.766 101.7 63.8 -62.0 -29.5 38.7 31.4 30.0 382 393 A A H << S+ 0 0 6 -4,-1.4 -1,-0.2 -3,-0.7 -2,-0.2 0.821 111.3 37.2 -67.9 -28.3 37.9 34.4 32.2 383 394 A F H << S+ 0 0 2 -4,-1.2 -278,-0.4 -3,-0.6 -2,-0.2 0.896 133.6 23.3 -81.3 -49.9 39.5 32.4 35.1 384 395 A D S < S- 0 0 45 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.1 -0.796 83.2-149.1-123.5 81.5 42.3 30.7 33.2 385 396 A P 0 0 73 0, 0.0 -3,-0.1 0, 0.0 -4,-0.0 -0.224 360.0 360.0 -51.8 142.1 43.1 32.7 30.0 386 397 A P 0 0 133 0, 0.0 -5,-0.0 0, 0.0 0, 0.0 -0.236 360.0 360.0 -70.1 360.0 44.3 30.4 27.2 387 ! 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 0.0 388 402 A A > 0 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-3,-1.5 3,-2.0 1,-0.2 7,-0.3 -0.502 35.0 161.0 -86.8 73.9 81.0 56.0 -18.3 479 500 A A T 3 S+ 0 0 63 -2,-1.6 -1,-0.2 1,-0.3 6,-0.1 0.551 70.4 74.1 -65.9 -9.2 83.9 58.5 -18.9 480 501 A G T 3 S+ 0 0 71 -3,-0.1 -1,-0.3 4,-0.1 -2,-0.1 0.488 77.2 86.2 -80.0 -8.1 81.1 61.0 -19.5 481 502 A D S <> S- 0 0 51 -3,-2.0 4,-3.3 -6,-0.2 5,-0.2 -0.890 78.4-145.8 -86.6 119.8 80.5 61.0 -15.7 482 503 A P H > S+ 0 0 94 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.799 98.6 50.9 -58.2 -34.2 83.0 63.6 -14.3 483 504 A R H > S+ 0 0 19 2,-0.2 4,-1.5 3,-0.1 5,-0.1 0.896 112.3 45.4 -67.2 -45.2 83.5 61.6 -11.1 484 505 A I H >> S+ 0 0 0 -6,-0.2 4,-1.9 2,-0.2 3,-0.6 0.962 112.9 50.6 -66.9 -46.0 84.2 58.4 -13.1 485 506 A A H 3X S+ 0 0 39 -4,-3.3 4,-1.7 -7,-0.3 -1,-0.2 0.886 107.5 56.3 -56.6 -35.2 86.5 60.4 -15.4 486 507 A R H 3X S+ 0 0 94 -4,-1.6 4,-1.7 -5,-0.2 -1,-0.2 0.848 103.8 51.5 -67.1 -35.3 88.3 61.7 -12.3 487 508 A L H S+ 0 0 0 -4,-2.7 5,-2.1 2,-0.2 4,-1.1 0.944 114.9 47.5 -61.0 -48.5 99.3 56.2 -9.6 495 516 A I H ><5S+ 0 0 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