==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 09-DEC-99 1DLG . COMPND 2 MOLECULE: UDP-N-ACETYLGLUCOSAMINE ENOLPYRUVYL TRANSFERASE M . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTER CLOACAE; . AUTHOR E.SCHONBRUNN,S.ESCHENBURG,F.KREKEL,K.LUGER,N.AMRHEIN . 838 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33481.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 621 74.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 66 7.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 138 16.5 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 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 . 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 . 74 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 96 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 199 23.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.7 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 3 2 2 6 2 2 6 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 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 . 2 0 4 4 14 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 12 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 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 1 A M 0 0 105 0, 0.0 418,-0.8 0, 0.0 391,-0.1 0.000 360.0 360.0 360.0 97.6 35.5 54.2 17.6 2 2 A D E -A 418 0A 46 416,-0.2 391,-1.6 389,-0.1 392,-0.4 -0.345 360.0-177.4 -68.6 148.3 36.0 50.8 15.8 3 3 A K E -A 417 0A 38 414,-1.8 414,-2.8 389,-0.2 2,-0.5 -0.888 24.8-122.2-138.0 165.6 35.9 50.6 12.0 4 4 A F E -AB 416 390A 0 386,-2.3 386,-2.7 -2,-0.3 2,-0.7 -0.962 14.6-155.7-112.8 127.9 36.2 47.8 9.5 5 5 A R E -AB 415 389A 82 410,-2.7 410,-1.8 -2,-0.5 2,-0.4 -0.931 21.0-173.2-101.1 117.9 39.0 47.9 7.0 6 6 A V E -AB 414 388A 0 382,-3.4 382,-3.2 -2,-0.7 2,-0.5 -0.925 9.0-162.9-116.2 137.8 37.7 45.9 4.0 7 7 A Q E -AB 413 387A 62 406,-2.5 406,-0.6 -2,-0.4 380,-0.2 -0.967 27.6 -89.1-124.5 130.6 39.8 44.9 1.0 8 8 A G E + B 0 386A 19 378,-2.5 378,-1.9 -2,-0.5 375,-0.2 -0.740 66.9 16.8-132.8-176.6 38.4 43.7 -2.3 9 9 A P + 0 0 82 0, 0.0 2,-0.4 0, 0.0 374,-0.3 0.378 61.5 154.6 -86.7 148.3 37.5 42.3 -4.5 10 10 A T - 0 0 32 372,-2.1 2,-0.5 -2,-0.1 402,-0.1 -0.995 39.9-132.8-133.3 139.3 36.6 38.9 -3.0 11 11 A R - 0 0 112 -2,-0.4 2,-0.6 400,-0.1 236,-0.1 -0.786 28.1-138.2 -84.9 130.6 34.1 36.3 -4.2 12 12 A L + 0 0 2 -2,-0.5 237,-0.9 230,-0.3 2,-0.3 -0.848 38.9 147.5 -98.4 122.2 32.0 35.3 -1.1 13 13 A Q E +d 249 0B 84 397,-2.2 2,-0.4 -2,-0.6 237,-0.3 -0.991 23.9 58.6-151.2 152.3 31.3 31.6 -0.8 14 14 A G E S-d 250 0B 34 235,-1.9 237,-1.7 -2,-0.3 2,-0.3 -0.985 80.5 -40.9 133.1-144.7 30.9 28.9 1.8 15 15 A E E -d 251 0B 60 -2,-0.4 2,-0.4 394,-0.3 237,-0.2 -0.931 39.5-174.4-129.1 150.3 28.5 28.5 4.8 16 16 A V E -d 252 0B 7 235,-2.3 237,-3.2 -2,-0.3 2,-0.6 -0.996 19.8-137.3-142.0 141.9 27.1 30.9 7.3 17 17 A T E -d 253 0B 67 -2,-0.4 2,-0.2 235,-0.2 237,-0.2 -0.913 24.0-131.3-104.4 124.9 25.0 30.0 10.3 18 18 A I - 0 0 1 235,-3.0 2,-0.1 -2,-0.6 3,-0.1 -0.505 19.2-135.0 -77.2 134.3 22.1 32.5 10.8 19 19 A S - 0 0 11 -2,-0.2 213,-2.7 1,-0.1 217,-0.1 -0.421 31.9 -86.7 -83.2 162.7 21.6 33.9 14.4 20 20 A G B -G 231 0C 2 211,-0.2 2,-0.4 -2,-0.1 -1,-0.1 -0.349 55.0 -96.8 -65.8 152.9 18.3 34.2 16.2 21 21 A A >> - 0 0 2 209,-2.5 4,-2.8 1,-0.2 3,-1.5 -0.573 22.6-153.9 -77.0 123.1 16.5 37.4 15.4 22 22 A K H 3> S+ 0 0 31 -2,-0.4 4,-2.6 1,-0.3 -1,-0.2 0.891 96.9 61.8 -61.7 -35.5 17.1 40.1 18.0 23 23 A N H 34 S+ 0 0 68 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.561 112.1 36.6 -70.7 -6.3 13.7 41.6 17.0 24 24 A A H <> S+ 0 0 0 -3,-1.5 4,-1.9 206,-0.2 5,-0.2 0.666 114.2 55.3-106.7 -41.2 11.9 38.3 18.1 25 25 A A H X S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.2 5,-0.2 0.900 105.3 54.8 -59.0 -42.4 14.2 37.6 21.1 26 26 A L H X S+ 0 0 5 -4,-2.6 4,-2.2 2,-0.2 5,-0.3 0.969 110.9 40.3 -60.4 -55.4 13.4 41.0 22.6 27 27 A P H > S+ 0 0 2 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.859 117.3 51.7 -65.1 -27.8 9.6 40.8 22.7 28 28 A I H X S+ 0 0 0 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.909 107.3 52.1 -71.5 -41.2 9.9 37.1 23.8 29 29 A L H < S+ 0 0 0 -4,-3.0 4,-0.2 1,-0.2 -1,-0.2 0.909 113.4 43.7 -62.5 -39.0 12.2 38.0 26.7 30 30 A F H >< S+ 0 0 1 -4,-2.2 3,-1.7 1,-0.2 -1,-0.2 0.879 109.3 57.2 -72.7 -33.3 9.8 40.7 27.9 31 31 A A H >< S+ 0 0 1 -4,-2.0 3,-2.3 1,-0.3 4,-0.2 0.820 91.7 72.0 -63.3 -28.6 6.9 38.3 27.4 32 32 A A G >< S+ 0 0 0 -4,-1.7 3,-1.3 1,-0.3 -1,-0.3 0.657 77.1 78.9 -63.3 -14.4 8.7 35.9 29.7 33 33 A L G < S+ 0 0 1 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.748 89.1 57.4 -64.1 -20.8 7.7 38.3 32.5 34 34 A L G < S+ 0 0 1 -3,-2.3 188,-0.7 -4,-0.2 2,-0.4 0.622 84.6 103.6 -81.2 -14.9 4.3 36.6 32.3 35 35 A A B < -h 222 0D 0 -3,-1.3 40,-0.3 -4,-0.2 188,-0.2 -0.554 48.6-170.9 -77.5 126.5 5.7 33.1 33.0 36 36 A E S S+ 0 0 75 186,-1.9 187,-0.2 -2,-0.4 188,-0.2 0.698 74.0 52.8 -85.6 -19.5 5.2 31.7 36.4 37 37 A E S S- 0 0 92 186,-1.6 38,-0.3 185,-0.1 188,-0.1 -0.784 104.1 -75.1-116.7 157.9 7.5 28.7 35.7 38 38 A P - 0 0 87 0, 0.0 187,-1.6 0, 0.0 2,-0.4 -0.149 47.9-163.6 -50.5 140.5 11.1 28.6 34.5 39 39 A V E -Ij 73 225E 4 34,-2.8 34,-3.1 185,-0.2 2,-0.5 -0.975 13.1-154.8-129.1 141.2 11.6 29.2 30.8 40 40 A E E -Ij 72 226E 41 185,-2.2 187,-2.4 -2,-0.4 2,-0.7 -0.986 9.9-162.0-115.5 120.3 14.5 28.4 28.5 41 41 A I E -Ij 71 227E 0 30,-2.9 30,-2.3 -2,-0.5 3,-0.3 -0.914 16.7-157.1-103.6 113.0 14.7 30.8 25.4 42 42 A Q E + j 0 228E 60 185,-3.1 187,-2.8 -2,-0.7 28,-0.2 -0.525 61.4 25.2 -95.1 158.9 17.0 29.2 22.8 43 43 A N S S+ 0 0 28 1,-0.2 -1,-0.2 185,-0.2 27,-0.2 0.880 73.6 163.1 61.2 44.1 18.9 30.6 19.9 44 44 A V - 0 0 6 25,-2.4 -1,-0.2 -3,-0.3 -22,-0.1 -0.829 35.4-126.8 -94.6 125.8 19.2 34.1 21.5 45 45 A P - 0 0 2 0, 0.0 2,-1.1 0, 0.0 -1,-0.0 -0.269 17.2-117.2 -68.3 158.4 22.0 36.2 19.8 46 46 A K + 0 0 113 4,-0.1 2,-0.3 3,-0.0 3,-0.0 -0.806 61.4 140.2 -98.9 94.6 24.6 37.9 22.0 47 47 A L >> - 0 0 8 -2,-1.1 4,-1.7 354,-0.1 3,-1.1 -0.944 64.6-103.6-136.1 157.1 23.9 41.5 21.3 48 48 A K H 3> S+ 0 0 82 -2,-0.3 4,-2.7 1,-0.3 5,-0.2 0.857 117.2 52.0 -47.3 -51.2 23.9 44.7 23.4 49 49 A D H 3> S+ 0 0 27 349,-0.4 4,-2.5 1,-0.2 -1,-0.3 0.814 106.6 56.0 -61.3 -28.5 20.1 45.0 23.7 50 50 A I H <> S+ 0 0 0 -3,-1.1 4,-2.7 2,-0.2 -1,-0.2 0.941 109.5 45.4 -68.0 -44.4 19.9 41.4 24.9 51 51 A D H X S+ 0 0 65 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.928 113.0 50.5 -61.7 -44.9 22.4 42.3 27.7 52 52 A T H X S+ 0 0 20 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.923 111.9 48.2 -58.9 -44.0 20.4 45.4 28.5 53 53 A T H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 5,-0.2 0.902 109.8 51.4 -64.2 -43.6 17.2 43.4 28.6 54 54 A M H X S+ 0 0 24 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.930 111.4 47.8 -61.5 -42.3 18.7 40.8 30.9 55 55 A K H X S+ 0 0 130 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.906 112.8 49.1 -65.0 -41.3 19.9 43.4 33.3 56 56 A L H X S+ 0 0 0 -4,-2.3 4,-1.3 -5,-0.2 -2,-0.2 0.957 110.7 49.3 -62.3 -49.0 16.5 45.1 33.3 57 57 A L H <>S+ 0 0 1 -4,-3.0 5,-2.3 1,-0.2 3,-0.5 0.902 109.4 52.8 -58.4 -38.8 14.7 41.8 33.9 58 58 A T H ><5S+ 0 0 76 -4,-2.2 3,-1.9 1,-0.2 -1,-0.2 0.923 104.3 56.1 -62.1 -41.2 17.1 41.1 36.8 59 59 A Q H 3<5S+ 0 0 93 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.765 103.1 56.0 -62.3 -26.2 16.2 44.5 38.3 60 60 A L T 3<5S- 0 0 0 -4,-1.3 19,-2.0 -3,-0.5 20,-1.7 0.513 130.9 -93.6 -83.6 -5.0 12.5 43.5 38.3 61 61 A G T < 5S+ 0 0 22 -3,-1.9 16,-0.3 -4,-0.4 2,-0.3 0.548 79.6 141.4 104.7 10.5 13.3 40.4 40.4 62 62 A T < - 0 0 2 -5,-2.3 2,-0.6 -6,-0.2 -1,-0.3 -0.634 50.2-132.7 -84.6 142.9 13.7 38.0 37.5 63 63 A K E +K 74 0E 149 11,-2.6 11,-2.4 -2,-0.3 2,-0.4 -0.883 37.3 176.4 -93.7 125.0 16.5 35.3 37.9 64 64 A V E +K 73 0E 34 -2,-0.6 2,-0.3 9,-0.2 9,-0.2 -0.988 15.7 157.8-136.3 141.7 18.4 35.3 34.6 65 65 A E E -K 72 0E 139 7,-1.6 7,-3.5 -2,-0.4 2,-0.3 -0.977 12.0-175.7-153.7 152.9 21.4 33.6 33.1 66 66 A R E K 71 0E 49 -2,-0.3 5,-0.2 5,-0.3 -2,-0.0 -0.939 360.0 360.0-146.0 170.3 22.7 32.8 29.6 67 67 A X 0 0 71 3,-1.9 -1,-0.1 -2,-0.3 5,-0.0 -0.016 360.0 360.0 -80.0 360.0 25.4 31.0 27.6 68 ! 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 69 68 A G 0 0 51 0, 0.0 -25,-2.4 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 -15.7 23.2 30.0 23.3 70 69 A S - 0 0 11 -28,-0.2 -3,-1.9 -27,-0.2 2,-0.5 -0.603 360.0-139.3-105.0 165.6 20.0 30.1 25.5 71 70 A V E -IK 41 66E 0 -30,-2.3 -30,-2.9 -5,-0.2 2,-0.5 -1.000 19.7-149.8-123.9 123.2 18.8 32.6 28.0 72 71 A W E -IK 40 65E 101 -7,-3.5 -7,-1.6 -2,-0.5 2,-0.4 -0.856 15.1-167.5 -98.6 131.6 17.2 31.0 31.1 73 72 A I E -IK 39 64E 4 -34,-3.1 -34,-2.8 -2,-0.5 2,-0.5 -0.964 18.7-179.3-124.8 130.0 14.5 32.9 32.8 74 73 A D E + K 0 63E 49 -11,-2.4 -11,-2.6 -2,-0.4 3,-0.3 -0.901 13.0 162.3-127.4 102.8 12.8 32.4 36.2 75 74 A A > + 0 0 1 -2,-0.5 3,-1.5 -40,-0.3 -1,-0.1 0.177 39.8 113.5-103.4 15.5 10.1 35.1 36.7 76 75 A S T 3 S+ 0 0 45 1,-0.3 -1,-0.2 -13,-0.1 -14,-0.1 0.868 86.5 35.5 -56.9 -35.2 8.3 33.2 39.4 77 76 A N T 3 S+ 0 0 118 -3,-0.3 -1,-0.3 -16,-0.3 -2,-0.1 -0.094 72.2 156.2-113.1 33.7 9.4 36.0 41.9 78 77 A V < + 0 0 8 -3,-1.5 -17,-0.3 1,-0.1 3,-0.1 -0.412 10.4 161.9 -56.3 129.2 9.3 39.2 39.9 79 78 A N + 0 0 121 -19,-2.0 2,-0.4 1,-0.2 -18,-0.2 0.206 46.7 67.0-143.7 17.8 8.8 41.8 42.7 80 79 A N - 0 0 52 -20,-1.7 -1,-0.2 1,-0.0 0, 0.0 -0.949 52.9-173.9-139.4 117.7 9.8 45.2 41.5 81 80 A F + 0 0 50 -2,-0.4 28,-1.7 -3,-0.1 2,-0.5 0.077 54.8 92.8-104.1 25.3 7.5 46.6 38.8 82 81 A S E -l 109 0F 41 26,-0.2 28,-0.2 -23,-0.2 63,-0.0 -0.964 57.2-156.7-123.4 122.8 9.4 49.7 37.9 83 82 A A E -l 110 0F 1 26,-2.9 28,-1.7 -2,-0.5 5,-0.1 -0.860 26.3-140.2 -98.0 110.0 11.9 49.9 35.1 84 83 A P >> - 0 0 31 0, 0.0 3,-1.7 0, 0.0 4,-1.2 -0.298 17.1-112.7 -72.5 152.7 14.3 52.9 35.9 85 84 A Y H >> S+ 0 0 134 1,-0.3 4,-2.7 2,-0.2 3,-0.8 0.862 113.0 60.0 -47.5 -49.4 15.7 55.5 33.5 86 85 A D H 34 S+ 0 0 95 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.738 111.3 40.2 -58.9 -22.9 19.3 54.2 34.0 87 86 A L H <4 S+ 0 0 38 -3,-1.7 -1,-0.2 2,-0.1 -2,-0.2 0.636 123.2 36.4-102.1 -13.7 18.4 50.7 32.7 88 87 A V H X< S+ 0 0 0 -4,-1.2 3,-3.0 -3,-0.8 6,-0.3 0.625 86.7 94.2-109.5 -19.8 16.1 51.7 29.9 89 88 A K T 3< S+ 0 0 92 -4,-2.7 -3,-0.1 1,-0.3 3,-0.1 0.730 87.5 48.2 -49.2 -29.3 17.6 54.8 28.4 90 89 A T T 3 S+ 0 0 70 1,-0.2 2,-0.3 -5,-0.2 -1,-0.3 0.440 110.8 56.3 -93.4 6.7 19.6 53.0 25.8 91 90 A M X - 0 0 5 -3,-3.0 3,-1.7 1,-0.1 -1,-0.2 -0.840 49.3-170.2-151.8 111.0 16.7 50.9 24.5 92 91 A R G > S+ 0 0 139 -2,-0.3 3,-1.8 1,-0.3 4,-0.2 0.765 87.5 73.3 -61.4 -31.5 13.2 51.7 23.2 93 92 A A G > S+ 0 0 19 1,-0.3 3,-2.4 2,-0.2 -1,-0.3 0.668 73.0 87.5 -59.4 -17.6 12.2 48.1 23.4 94 93 A S G X + 0 0 3 -3,-1.7 3,-2.1 1,-0.3 4,-0.4 0.730 68.4 77.7 -54.4 -23.4 12.1 48.5 27.2 95 94 A I G X> S+ 0 0 10 -3,-1.8 3,-1.6 1,-0.3 4,-0.6 0.792 78.4 74.5 -58.3 -23.4 8.4 49.7 26.7 96 95 A W G <4 S+ 0 0 29 -3,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.590 81.0 67.5 -69.9 -7.5 7.6 46.0 26.4 97 96 A A G <> S+ 0 0 0 -3,-2.1 4,-1.8 1,-0.1 -1,-0.3 0.770 89.8 69.4 -78.1 -21.7 8.1 45.4 30.1 98 97 A L H <> S+ 0 0 2 -3,-1.6 4,-2.4 -4,-0.4 5,-0.3 0.944 95.2 45.8 -64.9 -53.8 4.9 47.5 30.7 99 98 A G H X S+ 0 0 0 -4,-0.6 4,-2.8 1,-0.2 5,-0.2 0.911 113.8 47.8 -57.2 -47.2 2.1 45.3 29.4 100 99 A P H > S+ 0 0 3 0, 0.0 4,-2.4 0, 0.0 5,-0.4 0.900 111.8 51.2 -62.9 -39.8 3.3 42.1 31.0 101 100 A L H X>S+ 0 0 0 -4,-1.8 4,-2.8 2,-0.2 6,-0.8 0.956 114.9 41.2 -63.4 -48.7 3.8 43.8 34.4 102 101 A V H X5S+ 0 0 1 -4,-2.4 4,-1.2 4,-0.2 -1,-0.2 0.919 115.8 51.0 -66.4 -39.0 0.3 45.3 34.4 103 102 A A H <5S+ 0 0 8 -4,-2.8 49,-0.3 -5,-0.3 -1,-0.2 0.889 124.1 26.6 -65.8 -40.2 -1.3 42.1 33.0 104 103 A R H <5S+ 0 0 45 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.848 137.1 23.3 -92.6 -38.4 0.2 39.8 35.6 105 104 A F H <5S- 0 0 56 -4,-2.8 -3,-0.2 -5,-0.4 -2,-0.2 0.539 95.1-121.4-109.1 -7.0 0.8 42.1 38.6 106 105 A G S < - 0 0 105 1,-0.1 3,-1.4 -6,-0.0 4,-0.4 -0.603 51.7-108.4 -73.6 145.5 5.6 59.1 19.5 122 121 A P T > S+ 0 0 77 0, 0.0 3,-0.6 0, 0.0 4,-0.4 0.863 113.6 51.8 -45.8 -45.8 6.4 55.4 19.4 123 122 A V T >> S+ 0 0 28 1,-0.2 4,-2.3 2,-0.1 3,-0.9 0.717 84.0 88.8 -71.5 -16.7 4.8 54.6 22.8 124 123 A D H <> S+ 0 0 42 -3,-1.4 4,-2.7 1,-0.3 5,-0.3 0.876 88.3 46.9 -48.9 -48.4 1.4 56.2 22.1 125 124 A L H <> S+ 0 0 45 -3,-0.6 4,-1.7 -4,-0.4 -1,-0.3 0.831 110.7 54.2 -66.2 -27.6 -0.2 53.1 20.6 126 125 A H H <> S+ 0 0 12 -3,-0.9 4,-2.3 -4,-0.4 5,-0.2 0.929 111.1 46.2 -65.6 -47.9 1.2 50.9 23.5 127 126 A I H X S+ 0 0 9 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.934 115.1 44.4 -59.6 -52.0 -0.5 53.3 26.0 128 127 A F H X S+ 0 0 111 -4,-2.7 4,-2.0 -5,-0.2 -1,-0.2 0.820 111.7 53.9 -68.8 -28.9 -3.8 53.5 24.2 129 128 A G H X S+ 0 0 3 -4,-1.7 4,-1.4 -5,-0.3 -1,-0.2 0.941 110.8 45.4 -69.5 -45.1 -3.9 49.7 23.6 130 129 A L H <>S+ 0 0 0 -4,-2.3 5,-2.3 1,-0.2 3,-0.3 0.906 110.5 55.1 -64.7 -37.3 -3.4 49.0 27.3 131 130 A E H ><5S+ 0 0 102 -4,-2.3 3,-1.9 1,-0.2 -1,-0.2 0.928 105.1 52.3 -60.5 -42.1 -6.0 51.6 28.1 132 131 A K H 3<5S+ 0 0 139 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.811 103.8 58.4 -63.2 -28.1 -8.5 49.8 25.9 133 132 A L T 3<5S- 0 0 0 -4,-1.4 20,-2.8 -3,-0.3 -1,-0.3 0.400 132.2 -92.7 -81.1 2.5 -7.7 46.6 27.8 134 133 A G T < 5S+ 0 0 45 -3,-1.9 15,-0.4 1,-0.3 -3,-0.2 0.450 76.7 143.7 105.5 -0.6 -8.8 48.4 31.0 135 134 A A < - 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