==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 28-NOV-95 1MBT . COMPND 2 MOLECULE: URIDINE DIPHOSPHO-N-ACETYLENOLPYRUVYLGLUCOSAMINE . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR T.E.BENSON,C.T.WALSH,J.M.HOGLE . 340 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15801.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 251 73.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 61 17.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 1.5 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 . 1 0.3 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 . 43 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 21.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.8 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 1 0 1 1 0 1 0 0 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 1 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 PARALLEL BRIDGES PER LADDER . 5 6 2 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 3 1 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 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 H 0 0 124 0, 0.0 14,-2.9 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 117.6 3.4 38.2 0.9 2 4 A S B -A 14 0A 43 12,-0.2 12,-0.3 1,-0.2 4,-0.1 -0.426 360.0-168.8 -74.7 116.9 0.9 36.5 3.3 3 5 A L > + 0 0 0 10,-3.4 3,-2.2 -2,-0.5 7,-0.2 0.546 64.2 102.8 -74.2 -7.4 1.6 36.6 7.0 4 6 A K T 3 S+ 0 0 91 9,-0.5 3,-0.4 1,-0.3 -1,-0.2 0.762 83.1 45.3 -58.5 -27.7 -1.1 34.1 7.7 5 7 A P T 3 S+ 0 0 84 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.623 111.3 55.5 -76.7 -11.6 1.4 31.2 8.2 6 8 A W S < S+ 0 0 65 -3,-2.2 2,-0.3 -4,-0.1 -2,-0.1 -0.272 99.8 71.5-113.7 39.7 3.6 33.6 10.4 7 9 A N - 0 0 10 -3,-0.4 41,-0.2 39,-0.1 3,-0.2 -0.947 65.5-156.1-157.8 116.7 0.8 34.3 12.7 8 10 A T S S+ 0 0 26 39,-1.1 216,-1.3 -2,-0.3 40,-0.1 0.699 95.2 66.0 -75.8 -19.6 -0.7 31.7 15.2 9 11 A F S S- 0 0 0 41,-0.4 -1,-0.2 38,-0.3 214,-0.2 0.847 103.3-130.6 -66.6 -31.6 -3.9 33.6 15.2 10 12 A G + 0 0 28 1,-0.3 2,-0.3 -6,-0.2 -6,-0.1 0.520 51.3 153.2 91.6 3.1 -4.5 32.7 11.5 11 13 A I - 0 0 3 -8,-0.1 2,-0.8 1,-0.1 -1,-0.3 -0.544 41.2-135.4 -66.0 123.1 -5.3 36.3 10.5 12 14 A D + 0 0 100 -2,-0.3 2,-0.3 -9,-0.1 -1,-0.1 -0.761 45.6 137.9 -89.2 109.7 -4.4 36.9 6.8 13 15 A H - 0 0 33 -2,-0.8 -10,-3.4 -12,-0.1 -9,-0.5 -0.946 42.9-118.7-139.3 163.1 -2.5 40.1 6.2 14 16 A N B -A 2 0A 63 -2,-0.3 42,-1.7 -12,-0.3 2,-0.4 -0.843 10.7-157.1-116.3 141.9 0.4 40.8 3.9 15 17 A A E -b 56 0B 1 -14,-2.9 42,-0.2 -2,-0.4 3,-0.1 -0.875 27.3-127.3-103.0 148.8 4.0 42.0 4.5 16 18 A Q E S+ 0 0 114 40,-1.8 2,-0.4 42,-0.6 43,-0.2 0.919 94.2 14.9 -61.5 -36.2 5.8 43.7 1.6 17 19 A H E -b 59 0B 75 41,-1.9 43,-2.9 39,-0.2 2,-0.4 -0.993 59.6-168.5-144.5 139.4 8.7 41.2 2.1 18 20 A I E +b 60 0B 32 -2,-0.4 2,-0.3 41,-0.2 43,-0.2 -0.995 15.3 173.9-117.9 129.1 9.3 37.9 4.0 19 21 A V E -b 61 0B 33 41,-2.4 43,-2.1 -2,-0.4 2,-0.8 -0.989 25.9-137.6-138.6 134.6 12.9 36.4 4.5 20 22 A C E -b 62 0B 67 -2,-0.3 2,-0.8 41,-0.2 43,-0.2 -0.757 16.1-154.9 -89.7 103.1 14.3 33.4 6.5 21 23 A A E +b 63 0B 1 41,-2.6 43,-2.5 -2,-0.8 44,-0.1 -0.685 18.5 174.3 -75.2 105.3 17.6 34.2 8.4 22 24 A E S S+ 0 0 150 -2,-0.8 44,-0.4 1,-0.2 2,-0.3 0.636 70.6 23.1 -80.1 -21.0 19.5 30.9 8.8 23 25 A D S > S- 0 0 74 42,-0.1 4,-2.4 -3,-0.1 5,-0.2 -0.991 80.9-105.5-146.7 166.0 22.4 33.0 10.3 24 26 A E H > S+ 0 0 65 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.838 115.0 47.2 -49.9 -49.5 23.5 36.2 12.0 25 27 A Q H > S+ 0 0 120 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.912 111.0 50.7 -66.7 -43.6 25.2 37.8 9.0 26 28 A Q H > S+ 0 0 72 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.944 109.1 53.5 -57.5 -46.2 22.2 37.1 6.6 27 29 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.946 111.5 46.3 -51.0 -51.3 19.9 38.7 9.3 28 30 A L H X S+ 0 0 3 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.917 111.9 49.1 -60.3 -45.9 22.1 41.8 9.2 29 31 A N H X S+ 0 0 90 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.929 113.2 47.5 -58.7 -46.7 22.3 42.1 5.4 30 32 A A H X S+ 0 0 21 -4,-2.5 4,-2.4 -5,-0.2 5,-0.3 0.934 114.2 47.3 -57.3 -47.3 18.5 41.7 5.1 31 33 A W H X S+ 0 0 48 -4,-2.4 4,-2.7 -5,-0.3 5,-0.3 0.967 112.3 49.1 -62.8 -50.0 18.0 44.4 7.9 32 34 A Q H X S+ 0 0 92 -4,-2.9 4,-1.5 2,-0.2 -1,-0.2 0.807 113.6 48.3 -57.6 -35.7 20.5 46.8 6.3 33 35 A Y H X S+ 0 0 143 -4,-2.0 4,-1.9 -5,-0.2 6,-0.2 0.982 113.1 44.3 -65.1 -62.2 18.8 46.4 2.9 34 36 A A H ><>S+ 0 0 0 -4,-2.4 5,-2.5 1,-0.2 3,-0.7 0.954 116.4 47.5 -52.6 -49.5 15.2 46.9 4.1 35 37 A T H ><5S+ 0 0 52 -4,-2.7 3,-1.5 -5,-0.3 -1,-0.2 0.879 107.3 55.2 -64.8 -35.7 16.2 49.9 6.2 36 38 A A H 3<5S+ 0 0 78 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.844 106.6 53.5 -63.0 -28.2 18.2 51.5 3.4 37 39 A E T <<5S- 0 0 117 -4,-1.9 -1,-0.2 -3,-0.7 -2,-0.2 0.368 125.4-105.9 -81.6 5.8 15.0 51.2 1.3 38 40 A G T < 5S+ 0 0 64 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.597 73.7 145.9 78.2 11.2 13.1 53.1 4.0 39 41 A Q < - 0 0 42 -5,-2.5 -1,-0.2 -6,-0.2 2,-0.2 -0.560 51.4-125.1 -82.9 141.3 11.3 49.9 5.2 40 42 A P - 0 0 39 0, 0.0 19,-2.0 0, 0.0 2,-0.4 -0.551 28.5-150.4 -60.9 140.5 10.3 48.9 8.7 41 43 A V E -c 59 0B 12 17,-0.2 2,-0.4 -2,-0.2 19,-0.2 -0.945 10.2-166.0-116.2 144.9 11.8 45.5 9.6 42 44 A L E -c 60 0B 20 17,-2.4 19,-2.2 -2,-0.4 2,-0.2 -0.943 10.4-148.3-129.8 113.1 10.1 43.0 12.1 43 45 A I E +c 61 0B 54 -2,-0.4 2,-0.3 17,-0.2 19,-0.2 -0.563 26.5 176.4 -77.7 147.4 12.1 40.0 13.5 44 46 A L E -c 62 0B 14 17,-2.5 19,-2.8 -2,-0.2 -2,-0.0 -0.997 30.3-172.5-151.9 145.4 10.0 36.9 14.2 45 47 A G S S- 0 0 12 -2,-0.3 -1,-0.1 17,-0.2 39,-0.1 0.607 84.7 -24.1 -95.0 -90.3 10.2 33.3 15.4 46 48 A E S S- 0 0 59 65,-0.1 -39,-0.1 16,-0.1 64,-0.1 0.263 76.4-117.4-105.9 11.0 6.8 31.5 15.1 47 49 A G S > S+ 0 0 5 -40,-0.1 3,-1.8 -41,-0.1 -39,-1.1 0.441 70.9 135.4 65.3 -2.3 4.2 34.4 15.2 48 50 A S T 3 S+ 0 0 22 1,-0.3 -1,-0.1 -41,-0.2 -41,-0.1 0.489 72.1 37.3 -61.2 3.0 2.8 32.9 18.4 49 51 A N T 3 S+ 0 0 25 275,-0.1 276,-2.9 276,-0.0 2,-0.4 0.063 97.3 94.6-142.0 24.2 2.5 36.2 20.2 50 52 A V E < -d 325 0C 15 -3,-1.8 2,-0.5 274,-0.2 -41,-0.4 -0.928 47.6-161.5-123.5 149.7 1.6 38.7 17.6 51 53 A L E -d 326 0C 0 274,-2.7 276,-3.2 -2,-0.4 2,-0.9 -0.985 16.4-150.7-121.1 109.3 -1.6 40.3 16.3 52 54 A F E +d 327 0C 1 -2,-0.5 246,-0.2 274,-0.2 276,-0.2 -0.767 17.1 178.9 -83.1 101.8 -1.2 41.8 12.9 53 55 A L + 0 0 35 274,-2.2 275,-0.2 -2,-0.9 -1,-0.2 0.874 65.6 10.6 -74.0 -42.8 -3.7 44.7 12.7 54 56 A E S S- 0 0 103 273,-1.1 2,-0.4 244,-0.1 273,-0.1 -0.449 99.3 -75.1-117.1-167.5 -3.0 46.1 9.2 55 57 A D - 0 0 75 -2,-0.1 2,-0.6 -42,-0.1 -40,-0.2 -0.845 59.3-109.0 -87.9 139.4 -1.0 44.9 6.2 56 58 A Y E -b 15 0B 5 -42,-1.7 -40,-1.8 -2,-0.4 2,-0.7 -0.607 18.0-155.2 -84.0 116.3 2.7 45.4 7.0 57 59 A R E S+ 0 0 157 272,-2.6 2,-0.2 -2,-0.6 -1,-0.1 0.057 72.4 39.7 -71.7 31.4 4.7 48.1 5.0 58 60 A G E S- 0 0 0 -2,-0.7 -41,-1.9 -19,-0.2 -42,-0.6 -0.790 92.8 -59.3-158.2-165.6 8.1 46.3 5.5 59 61 A T E -bc 17 41B 2 -19,-2.0 -17,-2.4 -2,-0.2 2,-0.5 -0.832 33.1-155.2 -98.6 128.0 10.3 43.2 5.7 60 62 A V E -bc 18 42B 0 -43,-2.9 -41,-2.4 -2,-0.5 2,-0.8 -0.859 10.3-155.1 -92.1 122.6 9.5 40.4 8.2 61 63 A I E -bc 19 43B 0 -19,-2.2 -17,-2.5 -2,-0.5 2,-0.6 -0.849 4.4-150.7-104.6 111.0 12.7 38.3 9.0 62 64 A I E -bc 20 44B 0 -43,-2.1 -41,-2.6 -2,-0.8 2,-1.0 -0.667 18.8-138.6 -78.1 117.4 11.9 34.8 10.2 63 65 A N E +b 21 0B 9 -19,-2.8 -41,-0.1 -2,-0.6 50,-0.1 -0.700 36.6 161.5 -85.7 96.0 14.8 34.0 12.5 64 66 A R + 0 0 54 -43,-2.5 2,-1.6 -2,-1.0 -1,-0.1 -0.029 14.7 149.1-104.8 36.6 16.0 30.4 11.9 65 67 A I - 0 0 14 -44,-0.1 19,-1.5 -42,-0.1 20,-0.6 -0.424 33.4-165.6 -70.9 84.4 19.5 30.7 13.5 66 68 A K + 0 0 102 -2,-1.6 17,-0.1 -44,-0.4 -2,-0.1 -0.251 26.9 110.6 -77.4 157.7 19.8 27.1 14.8 67 69 A G - 0 0 33 15,-0.2 15,-1.5 -2,-0.0 2,-0.5 -0.062 34.9-153.3 146.9 120.6 22.2 25.4 17.3 68 70 A I E -F 81 0D 50 13,-0.2 2,-0.5 11,-0.0 13,-0.2 -0.928 14.1-175.0-107.6 132.4 22.4 23.8 20.8 69 71 A E E -F 80 0D 106 11,-1.3 11,-2.6 -2,-0.5 2,-0.3 -0.947 7.3-161.2-125.0 114.0 25.7 23.8 22.7 70 72 A I - 0 0 58 -2,-0.5 2,-0.4 9,-0.2 9,-0.2 -0.674 10.3-177.1 -84.7 139.2 25.9 21.9 26.0 71 73 A H - 0 0 75 7,-0.4 7,-2.9 -2,-0.3 2,-0.5 -0.951 17.4-139.5-135.4 126.4 28.8 22.9 28.4 72 74 A D B +G 77 0D 96 -2,-0.4 5,-0.2 5,-0.2 3,-0.1 -0.708 23.4 171.9 -88.5 128.2 29.4 21.2 31.7 73 75 A E - 0 0 96 3,-1.9 -2,-0.0 -2,-0.5 0, 0.0 -0.810 47.0-105.9-112.1 169.9 30.5 23.3 34.8 74 76 A P S S+ 0 0 117 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.981 119.8 32.9 -57.4 -50.5 30.8 21.8 38.4 75 77 A D S S- 0 0 79 1,-0.1 105,-2.4 -3,-0.1 106,-0.4 0.812 129.0 -0.1 -73.2 -38.2 27.6 23.6 39.4 76 78 A A E - H 0 179D 0 103,-0.3 -3,-1.9 104,-0.1 2,-0.6 -0.985 62.8-109.5-153.5 160.4 25.5 23.6 36.2 77 79 A W E -GH 72 178D 59 101,-2.5 101,-2.4 -2,-0.3 2,-0.7 -0.857 36.4-150.3 -93.9 120.9 25.2 22.6 32.6 78 80 A Y E - H 0 177D 60 -7,-2.9 -7,-0.4 -2,-0.6 2,-0.4 -0.859 10.4-158.5 -96.1 111.7 25.4 25.9 30.6 79 81 A L E - H 0 176D 0 97,-2.9 97,-2.0 -2,-0.7 2,-0.6 -0.691 8.9-162.1 -93.0 139.5 23.4 25.7 27.3 80 82 A H E -FH 69 175D 36 -11,-2.6 -11,-1.3 -2,-0.4 2,-0.3 -0.923 21.5-178.9-120.1 105.6 24.1 28.0 24.4 81 83 A V E -FH 68 174D 0 93,-2.9 93,-2.5 -2,-0.6 2,-0.3 -0.744 26.0-116.4-111.8 151.1 21.2 28.0 22.1 82 84 A G E > - H 0 173D 6 -15,-1.5 3,-2.2 -2,-0.3 30,-0.3 -0.638 24.4-122.8 -82.6 139.1 20.4 29.7 18.8 83 85 A A T 3 S+ 0 0 3 89,-1.9 30,-1.8 -2,-0.3 31,-0.3 0.763 109.6 58.1 -49.3 -26.3 17.5 32.1 18.5 84 86 A G T 3 S+ 0 0 0 -19,-1.5 -1,-0.3 88,-0.3 -18,-0.2 0.552 80.6 114.1 -83.2 -10.8 15.8 30.0 15.7 85 87 A E S < S- 0 0 33 -3,-2.2 27,-2.7 -20,-0.6 2,-0.3 -0.311 74.9-111.7 -62.8 142.2 15.6 26.9 17.8 86 88 A N B > -K 111 0E 18 25,-0.2 4,-1.7 1,-0.1 25,-0.2 -0.601 19.7-143.4 -72.7 132.4 12.1 25.6 18.8 87 89 A W H > S+ 0 0 3 23,-2.5 4,-2.5 -2,-0.3 3,-0.2 0.977 96.5 46.8 -66.8 -53.8 11.4 26.0 22.5 88 90 A H H > S+ 0 0 33 20,-0.7 4,-2.0 22,-0.3 -1,-0.2 0.841 111.4 52.5 -59.9 -30.5 9.3 22.8 23.1 89 91 A R H > S+ 0 0 147 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.912 109.0 51.3 -67.1 -36.7 12.0 20.7 21.2 90 92 A L H X S+ 0 0 3 -4,-1.7 4,-2.5 -3,-0.2 5,-0.3 0.975 108.2 51.8 -61.7 -50.2 14.6 22.2 23.5 91 93 A V H X S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.904 114.5 42.3 -54.4 -41.0 12.4 21.2 26.6 92 94 A K H X S+ 0 0 97 -4,-2.0 4,-1.0 2,-0.2 -1,-0.2 0.875 113.6 53.2 -75.9 -30.8 12.2 17.5 25.3 93 95 A Y H X S+ 0 0 95 -4,-2.4 4,-2.4 2,-0.2 6,-0.2 0.925 110.6 44.5 -67.9 -45.5 15.9 17.4 24.3 94 96 A T H <>S+ 0 0 0 -4,-2.5 5,-3.1 1,-0.2 -2,-0.2 0.917 115.3 49.1 -66.9 -40.0 17.2 18.6 27.7 95 97 A L H <5S+ 0 0 17 -4,-1.6 3,-0.3 -5,-0.3 -1,-0.2 0.717 115.1 44.9 -68.5 -19.9 14.8 16.1 29.5 96 98 A Q H <5S+ 0 0 148 -4,-1.0 -2,-0.2 1,-0.1 -1,-0.2 0.811 110.4 55.2 -85.1 -38.2 16.0 13.3 27.2 97 99 A E T <5S- 0 0 106 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.1 0.085 124.6 -96.6 -82.1 21.2 19.7 14.2 27.6 98 100 A G T 5S+ 0 0 50 -3,-0.3 -3,-0.2 1,-0.1 -4,-0.1 0.684 85.8 126.1 72.6 19.2 19.7 14.0 31.4 99 101 A M < - 0 0 2 -5,-3.1 3,-0.5 -6,-0.2 -1,-0.1 -0.685 36.3-174.5-116.1 86.0 19.1 17.7 32.0 100 102 A P + 0 0 31 0, 0.0 -5,-0.0 0, 0.0 102,-0.0 -0.278 49.2 79.2 -74.7 161.4 16.2 18.6 34.3 101 103 A G S S+ 0 0 14 81,-0.1 3,-0.2 77,-0.1 84,-0.0 -0.047 80.5 69.2 131.1 -32.3 14.9 22.2 35.1 102 104 A L > + 0 0 0 -3,-0.5 3,-1.9 1,-0.1 4,-0.1 0.597 63.2 100.4 -95.5 -7.1 12.9 23.1 32.0 103 105 A E G > S+ 0 0 3 1,-0.3 3,-2.2 2,-0.2 -1,-0.1 0.829 74.9 61.2 -44.0 -48.4 9.7 20.8 32.2 104 106 A N G 3 S+ 0 0 0 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.594 104.1 52.1 -57.1 -14.6 7.2 23.4 33.6 105 107 A L G X S+ 0 0 2 -3,-1.9 3,-1.3 18,-0.1 -1,-0.3 0.201 83.9 135.4-103.9 11.6 7.8 25.5 30.5 106 108 A A T < + 0 0 0 -3,-2.2 -18,-0.1 1,-0.2 -17,-0.0 -0.315 64.4 17.4 -65.3 142.3 7.0 22.6 28.1 107 109 A L T 3 S+ 0 0 50 1,-0.3 -1,-0.2 105,-0.0 -4,-0.0 0.548 80.0 138.8 70.7 13.4 4.8 23.1 25.1 108 110 A I < - 0 0 18 -3,-1.3 -20,-0.7 1,-0.1 -1,-0.3 -0.667 51.0-131.0 -72.0 130.6 5.0 26.9 25.1 109 111 A P + 0 0 62 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.367 57.1 61.1 -79.5 173.4 5.4 27.8 21.4 110 112 A G S S- 0 0 2 -2,-0.1 -23,-2.5 -64,-0.1 -22,-0.3 -0.403 81.1 -58.0 103.8-177.4 7.8 30.0 19.8 111 113 A C B >> -K 86 0E 5 -25,-0.2 3,-1.7 -2,-0.1 4,-1.1 -0.695 42.3-112.0-103.5 154.9 11.5 30.2 19.3 112 114 A V T 34 S+ 0 0 0 -27,-2.7 3,-0.5 -30,-0.3 -29,-0.2 0.897 115.9 60.5 -57.6 -34.3 14.3 30.3 22.0 113 115 A G T 34 S+ 0 0 8 -30,-1.8 4,-0.4 -31,-0.3 -1,-0.3 0.761 101.2 55.3 -64.8 -20.5 15.1 34.0 21.0 114 116 A S T X> S+ 0 0 38 -3,-1.7 3,-1.5 -31,-0.3 4,-1.4 0.892 89.5 75.3 -74.9 -38.4 11.6 35.1 21.9 115 117 A S H 3X>S+ 0 0 2 -4,-1.1 4,-1.5 -3,-0.5 5,-1.0 0.794 91.7 50.1 -57.4 -37.4 11.7 33.8 25.4 116 118 A P H 345S+ 0 0 0 0, 0.0 -1,-0.3 0, 0.0 45,-0.2 0.827 107.1 60.9 -64.8 -23.0 13.9 36.5 27.0 117 119 A I H <45S+ 0 0 34 -3,-1.5 -2,-0.2 -4,-0.4 45,-0.1 0.971 122.9 15.2 -72.5 -52.3 11.7 39.1 25.4 118 120 A Q H <5S- 0 0 14 -4,-1.4 -1,-0.2 40,-0.1 -3,-0.1 0.524 101.4-127.1 -97.4 -4.8 8.4 38.3 27.1 119 121 A N T <5 - 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