==== 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 02-FEB-01 1I1Q . COMPND 2 MOLECULE: ANTHRANILATE SYNTHASE COMPONENT I; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR A.A.MOROLLO,M.J.ECK . 699 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26716.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 518 74.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 3.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 169 24.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 64 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 169 24.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 1 1 1 3 2 1 1 2 1 0 0 1 0 0 1 0 1 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 1 1 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 PARALLEL BRIDGES PER LADDER . 4 3 3 5 7 4 3 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 5 A K 0 0 209 0, 0.0 129,-0.1 0, 0.0 128,-0.1 0.000 360.0 360.0 360.0 -53.1 72.4 90.1 16.5 2 6 A P - 0 0 38 0, 0.0 129,-3.2 0, 0.0 2,-0.5 -0.288 360.0-132.6 -62.0 153.8 75.4 87.8 15.6 3 7 A T B -a 131 0A 91 127,-0.2 129,-0.2 129,-0.0 2,-0.1 -0.945 10.1-128.7-117.6 122.5 74.3 84.2 14.9 4 8 A L - 0 0 4 127,-2.8 2,-0.5 -2,-0.5 190,-0.2 -0.393 22.9-154.6 -64.7 137.3 76.1 81.2 16.4 5 9 A E E -B 193 0B 81 188,-2.9 188,-3.0 190,-0.1 2,-0.5 -0.970 2.1-147.4-120.3 127.8 77.1 78.6 13.8 6 10 A L E -B 192 0B 30 -2,-0.5 2,-0.5 186,-0.2 186,-0.2 -0.817 5.4-162.0 -98.2 126.1 77.6 74.9 14.7 7 11 A L E +B 191 0B 15 184,-2.8 184,-2.6 -2,-0.5 2,-0.3 -0.907 25.2 171.0-102.9 129.7 80.2 72.9 12.9 8 12 A T E +B 190 0B 61 -2,-0.5 2,-0.2 182,-0.2 182,-0.2 -0.870 20.0 171.2-137.5 170.1 79.6 69.1 13.2 9 13 A C E -B 189 0B 34 180,-1.3 180,-2.1 -2,-0.3 2,-0.4 -0.801 31.6-117.9-178.3 135.4 80.6 65.7 12.1 10 14 A D E -B 188 0B 132 -2,-0.2 178,-0.2 178,-0.2 2,-0.2 -0.646 35.7-177.5 -83.1 132.9 79.9 62.1 13.1 11 15 A A E -B 187 0B 20 176,-3.5 176,-1.4 -2,-0.4 201,-0.1 -0.684 34.0 -69.6-122.2 176.6 82.8 60.0 14.2 12 16 A A - 0 0 55 200,-0.2 -1,-0.1 -2,-0.2 174,-0.1 -0.294 54.1-103.4 -67.5 150.6 83.4 56.4 15.3 13 17 A Y - 0 0 47 172,-0.3 2,-0.4 173,-0.1 -1,-0.1 -0.435 29.4-156.6 -73.8 147.7 82.1 55.2 18.6 14 18 A R - 0 0 37 172,-0.2 6,-0.1 -2,-0.1 172,-0.1 -0.904 9.5-162.4-134.0 105.5 84.4 54.8 21.6 15 19 A E S S+ 0 0 112 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.0 0.692 83.5 54.5 -56.5 -24.1 83.5 52.4 24.4 16 20 A N >> + 0 0 37 1,-0.1 4,-1.7 2,-0.0 3,-0.5 -0.761 55.8 175.9-122.3 89.4 86.0 54.0 26.8 17 21 A P H 3> S+ 0 0 1 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.793 80.6 63.3 -57.2 -31.4 85.6 57.8 27.3 18 22 A T H 3> S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.933 105.7 43.9 -61.7 -45.4 88.3 57.8 29.9 19 23 A A H <> S+ 0 0 13 -3,-0.5 4,-1.8 1,-0.2 -1,-0.2 0.892 112.1 52.7 -66.7 -41.0 91.0 56.7 27.4 20 24 A L H X S+ 0 0 0 -4,-1.7 4,-2.6 1,-0.2 5,-0.3 0.900 105.7 55.6 -61.6 -40.7 89.7 59.1 24.8 21 25 A F H X>S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 5,-0.9 0.943 107.5 47.4 -57.1 -50.7 89.9 62.0 27.3 22 26 A H H X5S+ 0 0 40 -4,-1.7 4,-0.7 3,-0.2 -1,-0.2 0.863 113.0 52.1 -59.1 -35.3 93.6 61.3 27.9 23 27 A Q H <5S+ 0 0 27 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.900 122.7 23.7 -69.4 -45.8 94.2 61.1 24.2 24 28 A V H <5S+ 0 0 11 -4,-2.6 -2,-0.2 -5,-0.1 -3,-0.2 0.627 133.2 33.8 -99.2 -15.5 92.6 64.4 23.1 25 29 A C H ><5S+ 0 0 2 -4,-2.8 3,-2.4 -5,-0.3 -3,-0.2 0.687 75.4 165.4-110.5 -27.2 92.8 66.5 26.3 26 30 A G T 3< + 0 0 25 -2,-0.2 3,-2.0 1,-0.1 4,-0.3 0.954 67.8 177.5 56.2 50.3 77.7 51.0 34.3 39 43 A I G > + 0 0 48 1,-0.3 3,-0.6 -3,-0.2 6,-0.2 0.667 66.3 67.2 -60.3 -18.9 76.0 51.6 30.9 40 44 A D G 3 S+ 0 0 156 1,-0.2 -1,-0.3 3,-0.0 -2,-0.1 0.510 92.2 62.7 -81.7 -2.8 74.0 48.3 31.2 41 45 A S G < S+ 0 0 37 -3,-2.0 2,-0.3 1,-0.1 -1,-0.2 0.594 107.3 33.1 -96.8 -13.5 72.0 49.7 34.1 42 46 A K < - 0 0 52 -3,-0.6 3,-0.4 -4,-0.3 2,-0.2 -0.988 68.5-129.8-145.2 154.5 70.3 52.6 32.3 43 47 A D S S+ 0 0 131 -2,-0.3 140,-0.1 1,-0.2 -3,-0.0 -0.595 87.1 25.8 -96.5 160.3 68.9 53.5 28.8 44 48 A D S S+ 0 0 115 -2,-0.2 2,-0.2 1,-0.2 -1,-0.2 0.794 80.3 160.6 58.5 33.3 69.8 56.8 27.0 45 49 A L + 0 0 12 -3,-0.4 137,-1.3 -6,-0.2 138,-0.5 -0.592 12.1 177.1 -85.2 147.1 73.2 57.2 28.7 46 50 A K E - E 0 181B 57 -2,-0.2 2,-0.4 135,-0.2 135,-0.2 -0.984 23.0-137.9-147.8 155.7 75.8 59.5 27.2 47 51 A S E - E 0 180B 0 133,-2.4 133,-3.1 -2,-0.3 2,-0.5 -0.952 16.9-153.6-117.1 137.6 79.3 60.8 27.9 48 52 A L E -DE 34 179B 4 -14,-2.9 -14,-3.1 -2,-0.4 2,-0.5 -0.935 7.2-169.2-116.2 131.1 80.3 64.4 27.3 49 53 A L E -DE 33 178B 0 129,-2.6 129,-2.5 -2,-0.5 2,-1.2 -0.966 10.0-158.9-121.1 115.3 83.8 65.6 26.6 50 54 A L E +DE 32 177B 2 -18,-3.0 -18,-1.6 -2,-0.5 127,-0.2 -0.802 22.8 170.1 -91.9 97.2 84.5 69.3 26.7 51 55 A V E + 0 0 0 125,-1.3 2,-0.4 -2,-1.2 -1,-0.2 0.894 61.2 23.3 -79.9 -44.3 87.7 69.3 24.6 52 56 A D E S- E 0 176B 15 124,-1.6 123,-3.3 -21,-0.0 124,-1.9 -0.994 70.7-150.3-128.3 129.2 88.3 73.0 24.0 53 57 A S E - E 0 174B 8 -2,-0.4 121,-0.2 121,-0.2 3,-0.1 -0.821 9.2-167.2 -99.8 138.7 87.0 75.8 26.1 54 58 A A E S+ 0 0 0 119,-3.3 15,-2.4 -2,-0.4 16,-0.8 0.768 79.0 13.7 -88.7 -31.4 86.2 79.2 24.6 55 59 A L E -FE 68 173B 0 118,-1.1 118,-2.2 13,-0.2 2,-0.5 -0.993 60.2-147.9-145.7 146.8 85.9 80.9 28.0 56 60 A R E -FE 67 172B 38 11,-2.4 11,-2.5 -2,-0.3 2,-0.5 -0.988 22.6-167.5-115.1 123.6 86.7 80.1 31.6 57 61 A I E +FE 66 171B 0 114,-3.5 114,-3.0 -2,-0.5 2,-0.3 -0.953 10.9 170.7-120.3 116.9 84.2 81.8 34.0 58 62 A T E -FE 65 170B 20 7,-2.3 7,-3.0 -2,-0.5 2,-0.4 -0.911 13.7-159.2-125.8 152.2 84.9 82.0 37.7 59 63 A A E +FE 64 169B 2 110,-1.9 109,-2.2 -2,-0.3 110,-1.0 -0.973 11.8 174.5-131.5 144.8 83.1 83.8 40.5 60 64 A L E > -F 63 0B 109 3,-2.7 3,-2.0 -2,-0.4 2,-0.2 -0.903 67.9 -40.8-148.7 115.3 84.3 84.8 44.0 61 65 A G T 3 S- 0 0 46 -2,-0.3 58,-0.2 1,-0.3 92,-0.1 -0.464 125.0 -22.0 65.9-129.5 82.0 86.9 46.2 62 66 A D T 3 S+ 0 0 94 -2,-0.2 39,-2.7 -3,-0.1 2,-0.4 0.368 120.6 94.4 -94.9 6.2 80.3 89.5 44.1 63 67 A T E < -FG 60 100B 45 -3,-2.0 -3,-2.7 37,-0.2 2,-0.5 -0.846 51.7-169.0-108.3 133.4 83.0 89.4 41.4 64 68 A V E -FG 59 99B 0 35,-3.1 35,-3.1 -2,-0.4 2,-0.5 -0.968 7.6-157.2-118.5 128.2 82.9 87.3 38.2 65 69 A T E -FG 58 98B 48 -7,-3.0 -7,-2.3 -2,-0.5 2,-0.6 -0.911 4.5-166.8-107.5 128.5 86.0 86.9 36.0 66 70 A I E -FG 57 97B 1 31,-3.2 31,-2.3 -2,-0.5 2,-0.5 -0.962 7.0-175.4-117.4 116.6 85.6 86.0 32.3 67 71 A Q E -FG 56 96B 66 -11,-2.5 -11,-2.4 -2,-0.6 2,-0.3 -0.954 15.6-143.1-116.6 123.4 88.8 84.9 30.5 68 72 A A E -F 55 0B 6 27,-3.2 -13,-0.2 -2,-0.5 -14,-0.1 -0.619 12.0-172.3 -83.6 141.9 88.8 84.1 26.8 69 73 A L S S+ 0 0 87 -15,-2.4 2,-0.3 -2,-0.3 -14,-0.2 0.465 70.6 22.7-109.8 -6.7 91.0 81.2 25.6 70 74 A S S > S- 0 0 22 -16,-0.8 4,-2.5 25,-0.1 5,-0.1 -0.946 81.8-106.2-150.3 167.9 90.6 81.8 21.8 71 75 A D H > S+ 0 0 94 -2,-0.3 4,-1.3 2,-0.2 -1,-0.1 0.810 120.0 58.7 -68.2 -29.3 89.7 84.6 19.4 72 76 A N H >4 S+ 0 0 2 2,-0.2 3,-0.5 1,-0.2 4,-0.3 0.961 110.9 40.9 -63.3 -49.1 86.3 82.9 18.9 73 77 A G H >4 S+ 0 0 0 1,-0.2 3,-1.7 2,-0.2 4,-0.3 0.910 110.3 58.3 -64.9 -41.8 85.6 83.2 22.6 74 78 A A H >< S+ 0 0 24 -4,-2.5 3,-1.3 1,-0.3 -1,-0.2 0.751 90.6 72.4 -59.9 -25.6 87.1 86.7 22.8 75 79 A S T S+ 0 0 0 -3,-1.7 4,-1.5 -4,-0.3 -1,-0.2 0.691 89.0 73.4 -80.9 -19.5 81.8 87.7 22.8 77 81 A L H <> S+ 0 0 3 -3,-1.3 4,-1.9 -4,-0.3 3,-0.3 0.929 93.1 47.9 -63.1 -50.7 83.4 90.3 25.1 78 82 A P H > S+ 0 0 71 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.870 112.6 52.6 -59.4 -33.6 82.8 93.5 23.1 79 83 A L H < S+ 0 0 47 -4,-0.5 3,-0.3 1,-0.2 -2,-0.2 0.840 106.3 53.2 -69.2 -33.9 79.2 92.3 22.8 80 84 A L H >X S+ 0 0 2 -4,-1.5 3,-1.6 -3,-0.3 4,-0.7 0.856 97.5 66.6 -69.2 -35.3 78.9 91.8 26.5 81 85 A D H 3< S+ 0 0 50 -4,-1.9 3,-0.5 1,-0.3 -1,-0.2 0.864 105.0 41.5 -55.0 -40.5 80.1 95.4 27.2 82 86 A T T 3< S+ 0 0 129 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.366 109.7 59.9 -91.0 5.8 77.0 96.9 25.7 83 87 A A T <4 S+ 0 0 42 -3,-1.6 -1,-0.2 -4,-0.2 -2,-0.2 0.472 74.4 120.2-109.2 -5.1 74.6 94.4 27.3 84 88 A L < - 0 0 38 -4,-0.7 2,-0.1 -3,-0.5 3,-0.1 -0.346 60.9-125.9 -66.6 136.9 75.4 95.1 30.9 85 89 A P > - 0 0 44 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.456 40.1 -80.8 -79.9 154.8 72.5 96.2 33.2 86 90 A A T 3 S+ 0 0 101 1,-0.2 3,-0.1 -2,-0.1 0, 0.0 -0.214 115.8 32.0 -53.6 140.7 72.8 99.4 35.2 87 91 A G T 3 S+ 0 0 55 1,-0.2 2,-0.6 -3,-0.1 -1,-0.2 0.112 86.5 114.8 98.7 -23.5 74.8 98.9 38.4 88 92 A V < - 0 0 17 -3,-1.8 -1,-0.2 13,-0.1 13,-0.2 -0.735 57.7-143.1 -87.7 123.2 77.2 96.2 37.2 89 93 A E E -H 100 0B 126 11,-2.1 11,-1.5 -2,-0.6 2,-0.4 -0.488 14.5-160.3 -80.5 153.3 80.8 97.4 37.1 90 94 A N E -H 99 0B 53 9,-0.2 2,-0.3 -2,-0.2 9,-0.2 -0.935 8.3-170.8-145.1 118.6 83.0 96.2 34.3 91 95 A D E -H 98 0B 100 7,-2.6 7,-1.8 -2,-0.4 2,-0.5 -0.824 19.0-133.2-106.4 146.3 86.8 96.0 34.1 92 96 A V E +H 97 0B 98 -2,-0.3 5,-0.2 5,-0.2 -2,-0.0 -0.852 26.1 171.2-104.9 131.3 88.8 95.3 30.9 93 97 A L E > -H 96 0B 62 3,-2.4 3,-1.6 -2,-0.5 2,-0.5 -0.789 52.9 -76.4-125.1 167.7 91.7 92.8 30.8 94 98 A P T 3 S- 0 0 120 0, 0.0 -26,-0.1 0, 0.0 3,-0.1 -0.595 119.5 -11.1 -70.0 120.6 93.5 91.5 27.8 95 99 A A T 3 S+ 0 0 48 -2,-0.5 -27,-3.2 1,-0.2 2,-0.3 0.833 131.3 74.7 59.5 35.0 91.0 89.0 26.4 96 100 A G E < -GH 67 93B 0 -3,-1.6 -3,-2.4 -29,-0.2 2,-0.3 -0.991 59.4-147.9-165.6 168.4 88.9 89.2 29.5 97 101 A R E -GH 66 92B 25 -31,-2.3 -31,-3.2 -2,-0.3 2,-0.5 -0.974 8.5-149.4-142.6 153.1 86.4 91.1 31.6 98 102 A V E -GH 65 91B 26 -7,-1.8 -7,-2.6 -2,-0.3 2,-0.4 -0.992 15.9-164.2-127.1 119.8 85.8 91.3 35.3 99 103 A L E -GH 64 90B 2 -35,-3.1 -35,-3.1 -2,-0.5 2,-0.5 -0.887 5.2-165.2-107.7 136.8 82.2 92.0 36.4 100 104 A R E -GH 63 89B 11 -11,-1.5 -11,-2.1 -2,-0.4 -37,-0.2 -0.973 14.3-148.3-121.8 115.0 81.2 93.2 39.9 101 105 A F - 0 0 7 -39,-2.7 -13,-0.1 -2,-0.5 18,-0.1 -0.615 19.5-111.6 -87.3 143.3 77.6 92.8 40.8 102 106 A P - 0 0 44 0, 0.0 -1,-0.1 0, 0.0 -14,-0.1 -0.338 35.9 -97.9 -71.1 149.1 75.8 95.3 43.2 103 107 A P - 0 0 125 0, 0.0 2,-0.3 0, 0.0 14,-0.1 -0.291 42.6-110.8 -64.8 151.6 74.5 94.3 46.6 104 108 A V - 0 0 67 1,-0.1 9,-0.0 12,-0.1 14,-0.0 -0.652 27.6-107.2 -90.0 141.8 70.9 93.4 46.9 105 109 A S > - 0 0 60 -2,-0.3 3,-1.0 1,-0.1 -1,-0.1 -0.437 22.0-142.8 -63.2 130.5 68.3 95.5 48.8 106 110 A P T 3 S+ 0 0 78 0, 0.0 -1,-0.1 0, 0.0 440,-0.1 0.239 89.9 72.5 -82.1 16.7 67.4 93.8 52.1 107 111 A L T 3 + 0 0 87 440,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.324 68.7 113.6-111.0 5.4 63.7 94.9 51.8 108 112 A L < - 0 0 48 -3,-1.0 436,-0.4 1,-0.1 2,-0.1 -0.412 69.5-114.2 -77.5 153.6 62.6 92.6 48.9 109 113 A D > - 0 0 38 434,-0.1 4,-2.4 -2,-0.1 434,-0.2 -0.436 37.5-101.4 -79.0 163.2 60.0 89.9 49.5 110 114 A E H > S+ 0 0 1 432,-2.9 4,-0.8 1,-0.2 433,-0.1 0.791 120.5 51.8 -59.3 -31.2 61.3 86.3 49.1 111 115 A N H >> S+ 0 0 27 431,-0.4 3,-0.7 2,-0.2 4,-0.6 0.947 113.5 43.9 -71.0 -44.8 59.9 85.8 45.6 112 116 A A H >4 S+ 0 0 43 1,-0.2 3,-1.1 2,-0.2 4,-0.2 0.872 106.0 62.0 -65.7 -38.4 61.5 89.1 44.3 113 117 A R H >< S+ 0 0 37 -4,-2.4 3,-0.7 1,-0.3 -1,-0.2 0.739 96.1 60.3 -60.7 -25.4 64.8 88.4 46.0 114 118 A L H << S+ 0 0 5 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.790 106.4 46.6 -73.5 -27.5 65.3 85.2 43.9 115 119 A C T << S+ 0 0 60 -3,-1.1 -1,-0.2 -4,-0.6 -2,-0.2 0.332 86.7 123.1 -96.4 7.4 65.2 87.3 40.7 116 120 A S S < S- 0 0 16 -3,-0.7 -12,-0.1 -4,-0.2 -3,-0.0 -0.338 77.1 -86.8 -68.5 149.9 67.6 89.9 42.0 117 121 A L + 0 0 58 -14,-0.1 2,-0.3 3,-0.1 -1,-0.1 -0.257 65.6 150.3 -56.0 141.0 70.8 90.6 40.0 118 122 A S > - 0 0 10 -3,-0.1 3,-1.9 -15,-0.0 4,-0.3 -0.948 63.4 -76.0-160.8 178.6 73.6 88.2 41.1 119 123 A V T > S+ 0 0 8 -2,-0.3 3,-1.1 1,-0.3 4,-0.3 0.713 119.9 71.0 -60.3 -17.9 76.7 86.4 39.8 120 124 A F T >> S+ 0 0 1 1,-0.2 3,-1.3 2,-0.2 4,-0.9 0.785 82.5 70.9 -68.5 -26.6 74.4 83.9 38.0 121 125 A D H <> S+ 0 0 24 -3,-1.9 4,-2.8 1,-0.3 -1,-0.2 0.660 77.0 78.5 -65.9 -15.8 73.5 86.7 35.5 122 126 A A H <> S+ 0 0 2 -3,-1.1 4,-1.7 -4,-0.3 -1,-0.3 0.909 97.6 46.2 -57.4 -40.3 76.9 86.4 33.9 123 127 A F H <> S+ 0 0 0 -3,-1.3 4,-2.0 -4,-0.3 -1,-0.2 0.906 110.7 50.6 -69.1 -43.6 75.6 83.3 32.2 124 128 A R H X S+ 0 0 50 -4,-0.9 4,-1.6 1,-0.2 -2,-0.2 0.887 109.2 52.7 -62.5 -37.9 72.4 84.9 31.1 125 129 A L H X S+ 0 0 32 -4,-2.8 4,-0.6 1,-0.2 -1,-0.2 0.901 108.6 48.5 -65.6 -41.9 74.2 87.9 29.7 126 130 A L H >< S+ 0 0 0 -4,-1.7 3,-0.7 1,-0.2 4,-0.2 0.891 110.3 52.8 -65.3 -38.2 76.5 85.7 27.6 127 131 A Q H >< S+ 0 0 41 -4,-2.0 3,-0.7 1,-0.2 -1,-0.2 0.828 106.4 54.3 -66.6 -31.9 73.5 83.7 26.3 128 132 A G H 3< S+ 0 0 64 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.569 89.9 72.1 -82.6 -9.1 71.7 86.9 25.2 129 133 A V T << S+ 0 0 14 -3,-0.7 2,-0.3 -4,-0.6 -1,-0.2 0.512 100.2 43.1 -85.3 -3.4 74.4 88.4 23.0 130 134 A V S < S- 0 0 7 -3,-0.7 2,-0.5 -4,-0.2 -127,-0.2 -0.978 80.9-114.2-141.2 154.5 74.0 85.9 20.1 131 135 A N B -a 3 0A 85 -129,-3.2 -127,-2.8 -2,-0.3 -3,-0.1 -0.743 36.3-152.6 -85.6 129.9 71.2 84.1 18.2 132 136 A I - 0 0 53 -2,-0.5 2,-0.2 -129,-0.2 -127,-0.1 -0.841 19.8-106.9-109.5 142.7 71.3 80.4 18.9 133 137 A P > - 0 0 41 0, 0.0 3,-0.9 0, 0.0 6,-0.2 -0.447 21.0-150.7 -65.2 131.2 70.2 77.5 16.6 134 138 A T T 3 S+ 0 0 135 1,-0.2 5,-0.0 -2,-0.2 -2,-0.0 0.696 90.7 64.4 -76.5 -19.2 66.9 76.0 18.0 135 139 A Q T 3 S+ 0 0 90 1,-0.1 2,-0.5 2,-0.0 -1,-0.2 0.445 91.8 73.6 -84.8 0.9 67.7 72.6 16.5 136 140 A E X - 0 0 39 -3,-0.9 3,-1.1 1,-0.1 4,-0.2 -0.918 54.4-172.0-124.2 110.9 70.8 72.1 18.7 137 141 A R T 3 S+ 0 0 75 -2,-0.5 318,-0.6 1,-0.2 3,-0.3 0.879 92.8 38.4 -62.3 -41.5 70.4 71.3 22.4 138 142 A E T 3 S+ 0 0 20 1,-0.2 3,-0.3 315,-0.1 -1,-0.2 0.085 77.8 118.7-100.3 23.5 74.2 71.6 23.1 139 143 A A S < S+ 0 0 1 -3,-1.1 2,-0.6 1,-0.3 -1,-0.2 0.899 88.3 25.9 -54.3 -47.2 74.9 74.6 20.8 140 144 A M S S- 0 0 1 -3,-0.3 314,-1.8 -4,-0.2 2,-0.5 -0.943 87.9-175.8-122.7 103.9 76.0 76.8 23.7 141 145 A F E -I 453 0B 2 -2,-0.6 33,-2.9 -3,-0.3 2,-0.5 -0.908 14.7-171.4-111.7 124.4 77.3 74.5 26.4 142 146 A F E +IJ 452 173B 0 310,-2.6 310,-2.0 -2,-0.5 2,-0.4 -0.958 12.8 177.6-112.9 123.3 78.5 75.5 29.9 143 147 A G E +IJ 451 172B 0 29,-2.0 29,-2.7 -2,-0.5 2,-0.3 -0.976 26.3 74.8-127.5 141.2 80.1 72.8 32.0 144 148 A G E -IJ 450 171B 0 306,-2.8 306,-2.3 -2,-0.4 2,-0.4 -0.984 65.0 -38.0 165.7-152.7 81.6 73.0 35.4 145 149 A L E -IJ 449 170B 0 25,-2.8 25,-2.5 -2,-0.3 2,-0.7 -0.945 18.3-162.7-125.2 132.7 81.3 73.3 39.2 146 150 A F E -IJ 448 169B 1 302,-3.0 302,-2.7 -2,-0.4 23,-0.2 -0.958 34.7-139.8-105.1 110.8 79.1 75.3 41.5 147 151 A A > - 0 0 0 21,-2.1 3,-1.4 -2,-0.7 4,-0.3 -0.323 15.2-117.8 -72.5 157.0 81.0 75.2 44.8 148 152 A Y G > S+ 0 0 11 295,-2.8 3,-1.6 1,-0.2 4,-0.2 0.916 112.4 62.3 -56.5 -43.6 79.4 74.6 48.2 149 153 A D G > S+ 0 0 17 294,-0.5 3,-1.1 1,-0.3 -1,-0.2 0.539 76.7 86.9 -64.5 -8.9 80.5 78.1 49.3 150 154 A L G X S+ 0 0 3 -3,-1.4 3,-1.6 18,-0.4 -1,-0.3 0.827 78.5 67.8 -59.9 -30.7 78.6 79.9 46.6 151 155 A V G X> S+ 0 0 4 -3,-1.6 3,-3.0 -4,-0.3 4,-1.5 0.817 80.0 76.1 -60.7 -31.8 75.6 79.9 49.0 152 156 A A G <4 S+ 0 0 19 -3,-1.1 5,-0.5 1,-0.3 -1,-0.3 0.659 88.7 60.7 -55.8 -16.0 77.4 82.3 51.4 153 157 A G G <4 S+ 0 0 56 -3,-1.6 -1,-0.3 -4,-0.2 -2,-0.2 0.444 113.7 33.2 -92.0 1.7 76.5 85.1 49.0 154 158 A F T <4 S+ 0 0 33 -3,-3.0 2,-0.3 1,-0.3 -2,-0.2 0.503 119.3 42.1-130.7 -12.9 72.8 84.5 49.3 155 159 A E S < S- 0 0 27 -4,-1.5 2,-1.4 2,-0.0 -1,-0.3 -0.957 96.0 -90.9-134.9 153.5 72.3 83.4 52.9 156 160 A A + 0 0 74 -2,-0.3 -4,-0.1 -3,-0.1 -3,-0.1 -0.475 65.8 145.5 -70.3 90.3 73.9 84.7 56.1 157 161 A L - 0 0 21 -2,-1.4 275,-0.1 -5,-0.5 -2,-0.0 -0.927 53.7 -99.5-125.3 150.1 76.9 82.5 56.6 158 162 A P - 0 0 60 0, 0.0 2,-0.9 0, 0.0 -6,-0.1 -0.342 28.1-130.7 -64.9 148.7 80.4 83.4 58.0 159 163 A H + 0 0 154 282,-0.0 3,-0.1 -7,-0.0 282,-0.0 -0.541 39.7 179.5-101.3 66.7 83.0 84.2 55.4 160 164 A L - 0 0 46 -2,-0.9 280,-0.1 1,-0.1 281,-0.1 -0.041 34.7 -76.7 -61.9 167.2 85.7 81.9 56.9 161 165 A E - 0 0 146 278,-0.4 280,-2.1 1,-0.1 -1,-0.1 -0.114 48.2-108.4 -63.6 162.8 89.2 81.5 55.3 162 166 A A - 0 0 52 278,-0.2 279,-0.3 1,-0.1 3,-0.1 0.450 27.3-179.4 -68.3-145.6 89.9 79.4 52.3 163 167 A G S S+ 0 0 40 1,-0.7 2,-0.3 277,-0.1 -1,-0.1 0.109 70.3 34.2 163.9 -18.1 91.6 76.0 52.3 164 168 A N S S- 0 0 17 2,-0.2 -1,-0.7 133,-0.0 279,-0.1 -0.920 82.3-110.6-147.9 167.9 91.6 75.1 48.7 165 169 A N S S+ 0 0 87 -2,-0.3 131,-0.1 131,-0.2 132,-0.0 0.153 70.9 126.5 -91.8 18.8 91.8 77.0 45.4 166 170 A C - 0 0 4 2,-0.0 -2,-0.2 1,-0.0 277,-0.1 -0.664 50.3-146.6 -80.7 123.7 88.2 76.4 44.4 167 171 A P - 0 0 17 0, 0.0 -107,-0.2 0, 0.0 -18,-0.1 -0.160 36.5 -91.6 -76.1-179.3 86.3 79.6 43.5 168 172 A D S S- 0 0 16 -109,-2.2 -21,-2.1 1,-0.2 -18,-0.4 0.830 109.9 -3.3 -65.2 -34.2 82.6 80.0 44.3 169 173 A Y E -EJ 59 146B 0 -110,-1.0 -110,-1.9 -23,-0.2 2,-0.3 -0.973 62.5-169.0-153.1 153.9 81.9 78.6 40.8 170 174 A C E +EJ 58 145B 0 -25,-2.5 -25,-2.8 -2,-0.3 2,-0.3 -0.853 17.8 166.4-149.3 108.3 84.0 77.6 37.8 171 175 A F E -EJ 57 144B 1 -114,-3.0 -114,-3.5 -2,-0.3 2,-0.4 -0.909 23.2-145.1-127.5 153.7 82.5 77.0 34.4 172 176 A Y E -EJ 56 143B 0 -29,-2.7 -29,-2.0 -2,-0.3 2,-0.7 -0.938 11.6-141.0-117.3 136.7 83.8 76.6 30.9 173 177 A L E -EJ 55 142B 0 -118,-2.2 -119,-3.3 -2,-0.4 -118,-1.1 -0.880 35.5-123.1 -93.5 121.5 81.9 77.7 27.7 174 178 A A E +E 53 0B 0 -33,-2.9 -33,-0.3 -2,-0.7 -121,-0.2 -0.420 36.3 173.2 -70.9 138.7 82.6 74.9 25.2 175 179 A E E S+ 0 0 7 -123,-3.3 17,-2.7 1,-0.4 2,-0.4 0.718 82.7 21.2-104.3 -45.8 84.3 75.7 21.9 176 180 A T E S+EK 52 191B 0 -124,-1.9 -124,-1.6 15,-0.2 -125,-1.3 -0.993 74.6 178.4-128.3 126.8 84.6 72.0 20.9 177 181 A L E -EK 50 190B 0 13,-2.8 13,-2.8 -2,-0.4 2,-0.5 -0.981 14.9-156.9-131.4 138.3 82.4 69.3 22.4 178 182 A M E -EK 49 189B 0 -129,-2.5 -129,-2.6 -2,-0.4 2,-0.6 -0.969 7.7-162.4-115.5 129.0 82.2 65.5 21.8 179 183 A V E -EK 48 188B 18 9,-3.1 9,-2.8 -2,-0.5 2,-0.7 -0.949 1.8-161.4-115.4 115.7 79.0 63.7 22.7 180 184 A I E -EK 47 187B 0 -133,-3.1 -133,-2.4 -2,-0.6 2,-1.0 -0.873 6.6-156.2 -98.3 111.5 79.3 59.9 23.0 181 185 A D E >> -EK 46 186B 27 5,-2.5 5,-1.4 -2,-0.7 4,-1.0 -0.775 8.3-171.6 -90.7 102.3 75.9 58.3 22.7 182 186 A H T 45S+ 0 0 20 -137,-1.3 -136,-0.2 -2,-1.0 -1,-0.2 0.591 83.5 54.7 -69.3 -9.7 76.1 54.9 24.5 183 187 A Q T 45S+ 0 0 98 -138,-0.5 -1,-0.2 1,-0.1 -137,-0.1 0.940 118.8 27.5 -85.4 -61.7 72.6 54.0 23.2 184 188 A K T 45S- 0 0 159 2,-0.1 -2,-0.2 1,-0.0 -1,-0.1 0.449 105.4-129.5 -79.7 -0.5 73.0 54.6 19.5 185 189 A K T <5 + 0 0 109 -4,-1.0 -172,-0.3 1,-0.2 2,-0.3 0.950 63.9 120.7 48.3 62.7 76.7 53.7 19.9 186 190 A S E < - K 0 181B 41 -5,-1.4 -5,-2.5 -174,-0.1 2,-0.4 -0.941 54.8-134.6-146.4 165.0 78.0 56.8 18.0 187 191 A T E -BK 11 180B 0 -176,-1.4 -176,-3.5 -2,-0.3 2,-0.4 -0.992 14.2-165.4-129.8 126.1 80.2 59.9 18.6 188 192 A R E -BK 10 179B 78 -9,-2.8 -9,-3.1 -2,-0.4 2,-0.4 -0.929 3.1-162.6-112.4 134.0 79.3 63.4 17.6 189 193 A I E +BK 9 178B 0 -180,-2.1 -180,-1.3 -2,-0.4 2,-0.3 -0.956 13.8 177.9-115.6 132.6 81.9 66.2 17.5 190 194 A Q E -BK 8 177B 1 -13,-2.8 -13,-2.8 -2,-0.4 2,-0.4 -0.989 17.3-161.7-138.8 147.0 80.8 69.8 17.4 191 195 A A E -BK 7 176B 0 -184,-2.6 -184,-2.8 -2,-0.3 2,-0.7 -0.985 16.8-140.7-126.5 135.3 82.4 73.2 17.4 192 196 A S E -B 6 0B 1 -17,-2.7 2,-0.8 -2,-0.4 -186,-0.2 -0.878 10.0-165.3-102.9 114.6 80.6 76.4 18.3 193 197 A L E -B 5 0B 3 -188,-3.0 -188,-2.9 -2,-0.7 -18,-0.0 -0.865 4.6-173.2 -98.0 104.9 81.4 79.5 16.2 194 198 A F + 0 0 0 -2,-0.8 2,-0.3 -190,-0.2 -1,-0.2 0.803 65.9 16.5 -70.8 -33.3 80.0 82.5 18.1 195 199 A T S S- 0 0 27 -193,-0.1 2,-0.3 -190,-0.1 -190,-0.1 -0.930 95.2 -82.3-137.5 161.9 80.7 85.2 15.5 196 200 A A + 0 0 106 -2,-0.3 2,-0.2 4,-0.1 -2,-0.0 -0.491 61.4 147.2 -67.1 124.1 81.5 85.3 11.8 197 201 A S > - 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