==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-SEP-06 2IES . COMPND 2 MOLECULE: UDP-3-O-[3-HYDROXYMYRISTOYL] N-ACETYLGLUCOSAMINE . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR H.A.GENNADIOS,D.W.CHRISTIANSON . 534 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22761.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 368 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 7.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 112 21.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.7 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 1.5 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 . 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 . 48 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 16.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 0 1 1 0 0 4 0 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 0 4 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 2 2 4 2 6 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 . 4 4 0 4 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 2 A G 0 0 42 0, 0.0 119,-2.7 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 164.6 -0.1 82.6 -4.7 2 3 A L E -A 119 0A 68 117,-0.3 117,-0.3 1,-0.1 115,-0.1 -0.623 360.0 -92.7 -92.3 152.9 1.2 79.2 -5.8 3 4 A E E - 0 0 16 115,-3.4 113,-1.0 -2,-0.2 2,-0.3 -0.340 50.4-158.3 -60.1 143.9 -1.1 76.2 -6.6 4 5 A K E +A 115 0A 34 78,-0.3 81,-2.3 111,-0.2 80,-1.3 -0.806 19.9 168.9-125.8 167.9 -1.5 74.1 -3.5 5 6 A T E -A 114 0A 3 109,-0.9 109,-2.7 -2,-0.3 2,-0.2 -0.944 42.4 -72.6-163.7 171.8 -2.5 70.5 -2.6 6 7 A V E -A 113 0A 0 79,-0.4 107,-0.2 -2,-0.3 3,-0.1 -0.514 29.2-132.6 -81.1 145.4 -2.5 68.2 0.5 7 8 A K S S- 0 0 127 105,-1.7 2,-0.3 -2,-0.2 -1,-0.1 0.889 84.9 -19.1 -59.1 -42.8 0.7 66.7 1.9 8 9 A E S S- 0 0 115 104,-0.2 -1,-0.2 19,-0.0 19,-0.1 -0.948 96.6 -47.6-156.7 173.5 -1.0 63.2 2.1 9 10 A K - 0 0 137 -2,-0.3 2,-0.4 -3,-0.1 19,-0.2 -0.212 50.7-170.1 -53.5 132.3 -4.4 61.5 2.0 10 11 A L E -B 27 0B 21 17,-1.7 17,-3.8 2,-0.0 2,-0.3 -0.967 2.9-165.8-124.2 139.4 -6.9 63.0 4.4 11 12 A S E +B 26 0B 71 -2,-0.4 2,-0.3 15,-0.3 15,-0.2 -0.955 10.6 178.1-132.5 150.7 -10.3 61.3 5.2 12 13 A F E -B 25 0B 9 13,-1.2 13,-4.5 -2,-0.3 2,-0.3 -0.977 6.4-176.7-143.0 153.9 -13.5 62.3 6.9 13 14 A E E +B 24 0B 96 -2,-0.3 2,-0.3 11,-0.3 11,-0.2 -0.995 19.0 109.5-154.1 155.9 -16.8 60.5 7.5 14 15 A G E -B 23 0B 11 9,-2.0 9,-1.1 -2,-0.3 2,-0.1 -0.932 62.2 -42.8 160.5 178.0 -20.3 61.0 8.9 15 16 A V E -B 22 0B 52 -2,-0.3 82,-2.0 7,-0.2 83,-0.6 -0.367 52.7-121.7 -70.6 147.5 -24.0 61.3 8.1 16 17 A G > - 0 0 0 5,-2.5 4,-1.2 80,-0.2 -1,-0.1 -0.705 17.7-132.8 -86.2 142.9 -25.1 63.3 5.1 17 18 A I T 4 S+ 0 0 12 78,-0.4 179,-2.5 -2,-0.3 180,-1.2 0.887 99.1 27.5 -67.2 -37.1 -27.5 66.1 6.1 18 19 A H T 4 S+ 0 0 12 176,-0.3 177,-2.6 177,-0.2 179,-0.1 0.951 124.6 41.8 -88.9 -57.0 -30.1 65.5 3.4 19 20 A T T 4 S- 0 0 28 176,-0.2 -2,-0.1 175,-0.2 3,-0.1 0.791 88.0-143.0 -62.0 -29.3 -29.8 61.8 2.6 20 21 A G < + 0 0 36 -4,-1.2 2,-0.2 1,-0.3 -1,-0.1 0.540 61.0 126.2 75.9 5.0 -29.5 60.8 6.2 21 22 A E - 0 0 95 1,-0.1 -5,-2.5 -6,-0.1 -1,-0.3 -0.569 66.3-106.8 -96.3 158.8 -27.1 58.2 4.9 22 23 A Y E +B 15 0B 153 -7,-0.2 2,-0.3 -2,-0.2 -7,-0.2 -0.531 42.6 168.5 -82.3 149.8 -23.5 57.4 5.9 23 24 A S E -B 14 0B 4 -9,-1.1 -9,-2.0 -2,-0.2 2,-0.4 -0.972 20.9-141.4-156.4 159.7 -20.7 58.4 3.6 24 25 A K E -BC 13 91B 70 67,-1.1 67,-2.4 -2,-0.3 2,-0.3 -0.970 6.4-151.2-132.0 146.1 -16.9 58.7 3.7 25 26 A L E -BC 12 90B 0 -13,-4.5 -13,-1.2 -2,-0.4 2,-0.3 -0.849 10.6-179.2-114.0 151.5 -14.5 61.2 2.2 26 27 A I E -BC 11 89B 23 63,-1.4 63,-2.2 -2,-0.3 2,-0.7 -0.817 16.6-152.6-149.5 100.5 -10.9 60.6 1.2 27 28 A I E -BC 10 88B 0 -17,-3.8 -17,-1.7 -2,-0.3 61,-0.2 -0.709 15.0-158.5 -83.1 117.6 -9.1 63.7 -0.1 28 29 A H E - C 0 87B 32 59,-3.3 59,-2.2 -2,-0.7 2,-0.2 -0.738 15.8-120.5 -97.7 141.3 -6.4 62.6 -2.6 29 30 A P E - C 0 86B 46 0, 0.0 2,-0.4 0, 0.0 57,-0.2 -0.504 32.9-159.5 -76.5 147.9 -3.3 64.7 -3.5 30 31 A E - 0 0 38 55,-1.1 55,-0.1 -2,-0.2 4,-0.1 -0.986 19.8-101.4-137.0 146.9 -3.0 65.6 -7.1 31 32 A K > - 0 0 161 -2,-0.4 3,-1.3 1,-0.1 4,-0.3 0.025 59.5 -74.9 -51.3 164.9 -0.3 66.7 -9.5 32 33 A E T 3 S+ 0 0 59 1,-0.2 -1,-0.1 2,-0.1 -27,-0.0 -0.164 117.9 24.8 -61.4 159.4 -0.1 70.4 -10.5 33 34 A G T 3 S+ 0 0 43 1,-0.1 -1,-0.2 -3,-0.1 -2,-0.1 0.462 90.7 113.7 64.8 -0.5 -2.6 71.7 -13.0 34 35 A T < - 0 0 37 -3,-1.3 2,-0.1 -4,-0.1 51,-0.1 0.975 58.1-161.2 -65.4 -59.7 -5.0 68.9 -12.0 35 36 A G - 0 0 23 -4,-0.3 51,-1.8 -5,-0.1 2,-0.6 -0.452 32.0 -49.3 103.6-179.3 -7.8 71.0 -10.3 36 37 A I E +d 86 0B 19 49,-0.2 11,-2.4 -2,-0.1 2,-0.3 -0.856 65.8 153.3 -97.8 126.3 -10.6 70.1 -7.9 37 38 A R E -dE 87 46B 63 49,-1.3 51,-2.5 -2,-0.6 2,-0.2 -0.988 34.8-132.6-150.2 144.2 -12.6 67.1 -8.9 38 39 A F E -dE 88 45B 0 7,-3.9 7,-2.5 -2,-0.3 2,-0.4 -0.569 15.4-144.8 -93.9 162.9 -14.7 64.6 -7.0 39 40 A F E +dE 89 44B 41 49,-3.1 51,-2.6 5,-0.2 2,-0.4 -0.954 25.0 163.0-135.6 115.7 -14.4 60.8 -7.6 40 41 A K E > - E 0 43B 15 3,-2.7 3,-1.2 -2,-0.4 51,-0.1 -0.994 67.6 -15.1-137.4 129.2 -17.4 58.5 -7.3 41 42 A N T 3 S- 0 0 113 -2,-0.4 -1,-0.2 49,-0.4 3,-0.1 0.941 127.2 -51.3 44.2 61.6 -17.9 55.0 -8.6 42 43 A G T 3 S+ 0 0 59 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.729 116.9 117.3 51.8 26.2 -14.9 55.2 -10.9 43 44 A V E < -E 40 0B 28 -3,-1.2 -3,-2.7 2,-0.0 2,-0.6 -0.990 57.9-142.0-127.1 126.4 -16.3 58.5 -12.3 44 45 A Y E -E 39 0B 102 -2,-0.4 -5,-0.2 -5,-0.2 45,-0.0 -0.771 14.4-168.6 -91.5 122.0 -14.5 61.9 -12.0 45 46 A I E -E 38 0B 0 -7,-2.5 -7,-3.9 -2,-0.6 2,-0.1 -0.932 16.7-136.9-113.2 114.3 -16.8 64.9 -11.5 46 47 A P E -E 37 0B 35 0, 0.0 2,-3.2 0, 0.0 5,-0.3 -0.413 19.1-120.8 -69.4 137.5 -15.1 68.3 -11.9 47 48 A A S S+ 0 0 4 -11,-2.4 191,-0.5 -2,-0.1 2,-0.4 -0.292 75.4 122.9 -73.6 58.5 -15.9 71.0 -9.3 48 49 A R S > S- 0 0 86 -2,-3.2 3,-3.0 189,-0.1 189,-0.2 -0.974 76.7-115.2-128.7 141.7 -17.3 73.1 -12.1 49 50 A H G > S+ 0 0 28 187,-2.3 3,-1.8 -2,-0.4 188,-0.1 0.690 107.3 74.5 -41.2 -30.6 -20.7 74.7 -12.7 50 51 A E G 3 S+ 0 0 97 1,-0.3 -1,-0.3 186,-0.2 -3,-0.1 0.815 95.5 51.0 -58.0 -29.3 -21.2 72.5 -15.8 51 52 A F G < S+ 0 0 38 -3,-3.0 11,-2.1 -5,-0.3 2,-0.6 0.090 77.5 124.5 -99.5 25.1 -21.9 69.5 -13.5 52 53 A V E < +F 61 0C 19 -3,-1.8 9,-0.3 9,-0.2 3,-0.1 -0.744 23.4 164.2 -87.3 123.0 -24.4 71.2 -11.2 53 54 A V E + 0 0 63 7,-2.4 2,-0.3 -2,-0.6 8,-0.2 0.396 63.6 25.9-118.0 -1.6 -27.7 69.1 -11.1 54 55 A H E +F 60 0C 55 6,-1.1 6,-3.1 1,-0.0 -1,-0.3 -0.891 41.7 169.6-165.4 131.5 -29.4 70.6 -8.0 55 56 A T + 0 0 33 -2,-0.3 198,-0.7 4,-0.2 4,-0.2 -0.049 46.0 114.5-132.9 32.6 -29.4 73.9 -6.1 56 57 A N S S- 0 0 75 2,-0.2 197,-0.4 196,-0.1 196,-0.1 0.951 102.0 -23.5 -68.6 -90.1 -32.3 73.5 -3.7 57 58 A H S S+ 0 0 88 195,-0.1 2,-0.3 194,-0.1 -1,-0.1 -0.114 139.5 22.9-118.0 39.4 -30.9 73.5 -0.2 58 59 A S S S- 0 0 0 2,-0.0 2,-0.7 14,-0.0 -2,-0.2 -0.870 85.2-104.8 175.1 159.9 -27.5 72.3 -1.2 59 60 A T - 0 0 0 -2,-0.3 12,-1.9 -4,-0.2 2,-0.3 -0.914 40.4-168.0-106.5 110.4 -25.4 72.4 -4.4 60 61 A D E -F 54 0C 2 -6,-3.1 -7,-2.4 -2,-0.7 -6,-1.1 -0.765 4.4-162.4-103.2 146.2 -25.3 68.9 -6.0 61 62 A L E +FG 52 68C 0 7,-2.5 7,-3.0 -2,-0.3 2,-0.3 -0.875 13.4 165.0-123.7 156.7 -23.0 67.7 -8.7 62 63 A G E - G 0 67C 9 -11,-2.1 2,-0.3 -2,-0.3 5,-0.2 -0.994 15.3-179.3-167.1 160.0 -23.2 64.8 -11.1 63 69 A F E > S- G 0 66C 85 3,-1.9 3,-1.9 -2,-0.3 -12,-0.0 -0.947 71.2 -4.0-163.8 141.3 -22.0 63.1 -14.3 64 70 A K T 3 S- 0 0 161 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.858 132.4 -43.5 38.2 55.4 -22.7 59.8 -16.1 65 71 A G T 3 S+ 0 0 71 1,-0.2 2,-0.5 -22,-0.0 -1,-0.3 0.629 113.5 114.4 73.0 14.3 -25.2 58.6 -13.5 66 72 A Q E < -G 63 0C 39 -3,-1.9 -3,-1.9 2,-0.0 2,-0.4 -0.973 42.3-173.3-121.5 125.6 -23.1 59.5 -10.4 67 73 A R E -G 62 0C 123 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.917 14.2-168.6-123.9 144.1 -24.3 62.2 -8.0 68 74 A I E -G 61 0C 0 -7,-3.0 -7,-2.5 -2,-0.4 2,-0.3 -0.995 16.3-150.4-127.4 126.2 -22.8 63.9 -5.0 69 75 A K B +h 94 0D 29 24,-2.2 26,-2.1 -2,-0.4 -9,-0.2 -0.763 67.0 13.4-100.2 143.5 -25.0 66.1 -2.7 70 76 A T + 0 0 6 -2,-0.3 4,-0.3 24,-0.2 25,-0.2 0.993 60.7 155.1 63.7 72.2 -23.8 69.1 -0.7 71 77 A V > + 0 0 1 -12,-1.9 4,-2.5 -3,-0.2 5,-0.2 0.506 48.0 92.8-103.9 -6.5 -20.4 70.0 -2.0 72 78 A E H > S+ 0 0 5 -13,-0.3 4,-3.6 2,-0.2 5,-0.2 0.916 85.0 45.1 -55.7 -51.7 -20.5 73.6 -1.0 73 79 A H H > S+ 0 0 13 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.981 114.8 45.9 -61.0 -57.0 -18.9 73.4 2.4 74 80 A I H > S+ 0 0 0 -4,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.910 118.5 44.9 -51.4 -45.2 -16.0 71.1 1.3 75 81 A L H X S+ 0 0 1 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.935 108.4 56.6 -65.2 -45.9 -15.4 73.3 -1.7 76 82 A S H X S+ 0 0 0 -4,-3.6 4,-2.3 -5,-0.2 -2,-0.2 0.917 109.9 44.8 -52.5 -48.8 -15.7 76.6 0.3 77 83 A V H X S+ 0 0 0 -4,-2.5 4,-3.3 2,-0.2 3,-0.3 0.979 111.7 51.0 -60.6 -55.0 -12.9 75.6 2.6 78 84 A L H <>S+ 0 0 0 -4,-2.2 5,-2.7 1,-0.3 -1,-0.2 0.854 112.7 49.6 -49.8 -33.8 -10.7 74.3 -0.2 79 85 A H H <5S+ 0 0 8 -4,-2.6 3,-0.4 3,-0.2 -1,-0.3 0.871 110.7 47.6 -73.0 -39.0 -11.4 77.7 -1.8 80 86 A L H <5S+ 0 0 23 -4,-2.3 -2,-0.2 -3,-0.3 -1,-0.2 0.931 115.2 45.2 -68.0 -43.6 -10.6 79.6 1.4 81 87 A L T <5S- 0 0 17 -4,-3.3 -1,-0.2 -5,-0.2 -2,-0.2 0.465 108.4-128.4 -78.1 -1.3 -7.3 77.6 1.8 82 88 A E T 5 + 0 0 37 -3,-0.4 2,-0.6 -5,-0.3 -78,-0.3 0.926 47.3 163.9 52.9 47.2 -6.6 78.1 -1.9 83 89 A I < + 0 0 0 -5,-2.7 -1,-0.2 -6,-0.2 -78,-0.2 -0.883 7.4 173.3 -93.7 120.9 -6.0 74.4 -2.4 84 90 A T + 0 0 10 -80,-1.3 2,-0.6 -2,-0.6 -79,-0.2 0.785 54.3 49.0-105.8 -31.0 -6.2 73.9 -6.1 85 91 A N S S+ 0 0 3 -81,-2.3 -55,-1.1 -51,-0.1 -79,-0.4 -0.890 72.3 113.4-119.3 106.5 -5.3 70.3 -7.1 86 92 A V E -Cd 29 36B 0 -51,-1.8 -49,-1.3 -2,-0.6 2,-0.4 -0.964 50.8-130.6-156.9 168.5 -7.0 67.5 -5.2 87 93 A T E -Cd 28 37B 0 -59,-2.2 -59,-3.3 -2,-0.3 2,-0.8 -0.997 14.9-150.8-130.1 123.4 -9.5 64.7 -5.8 88 94 A I E -Cd 27 38B 0 -51,-2.5 -49,-3.1 -2,-0.4 2,-0.4 -0.843 11.8-157.9 -99.5 104.5 -12.4 64.2 -3.4 89 95 A E E -Cd 26 39B 44 -63,-2.2 -63,-1.4 -2,-0.8 2,-0.5 -0.681 8.9-164.1 -82.7 129.5 -13.3 60.6 -3.3 90 96 A V E -C 25 0B 4 -51,-2.6 2,-1.0 -2,-0.4 -49,-0.4 -0.967 16.0-167.7-121.4 121.7 -16.9 60.1 -2.1 91 97 A I E S+C 24 0B 95 -67,-2.4 -67,-1.1 -2,-0.5 2,-0.3 -0.786 75.2 17.1-106.7 85.7 -18.2 56.8 -0.9 92 98 A G S S- 0 0 21 -2,-1.0 -25,-0.1 -69,-0.2 -69,-0.1 -0.986 101.4 -73.2 154.5-143.0 -21.8 57.6 -0.9 93 99 A N S S+ 0 0 66 -2,-0.3 -24,-2.2 1,-0.3 2,-0.3 0.244 102.5 35.0-136.2 11.2 -24.1 60.3 -2.4 94 100 A E B S-h 69 0D 0 -26,-0.3 -1,-0.3 -72,-0.1 -24,-0.2 -0.926 81.4-103.6-169.0 137.9 -23.3 63.4 -0.4 95 101 A I - 0 0 3 -26,-2.1 -78,-0.4 -2,-0.3 -22,-0.1 -0.417 56.4 -97.5 -62.3 135.9 -20.3 65.1 1.4 96 102 A P - 0 0 6 0, 0.0 -80,-0.2 0, 0.0 -81,-0.1 -0.291 23.3-144.3 -60.0 141.1 -20.7 64.5 5.2 97 103 A I > + 0 0 4 -82,-2.0 3,-2.4 1,-0.2 4,-0.2 0.750 30.4 174.8 -78.1 -26.5 -22.3 67.4 7.1 98 104 A L T 3 S- 0 0 29 -83,-0.6 -1,-0.2 1,-0.3 4,-0.1 -0.262 71.5 -14.0 52.3-131.1 -20.2 66.9 10.2 99 105 A D T 3 S- 0 0 37 2,-0.2 -1,-0.3 1,-0.1 79,-0.1 0.416 100.3-100.9 -83.5 6.5 -20.9 69.7 12.7 100 106 A G S < S+ 0 0 0 -3,-2.4 78,-0.3 1,-0.4 2,-0.2 0.423 97.4 75.7 92.7 -1.9 -22.7 71.8 10.1 101 107 A S S S- 0 0 0 -4,-0.2 -1,-0.4 76,-0.2 4,-0.2 -0.603 90.8-106.9-126.6-172.5 -19.8 74.2 9.4 102 108 A G S > S+ 0 0 0 72,-0.7 4,-2.6 74,-0.3 5,-0.2 0.293 86.4 108.6-101.9 11.2 -16.5 74.0 7.5 103 109 A W H > S+ 0 0 85 71,-0.3 4,-2.5 1,-0.2 5,-0.3 0.918 74.4 46.3 -53.1 -56.3 -14.6 73.8 10.8 104 110 A E H > S+ 0 0 83 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.912 115.3 46.0 -58.1 -44.9 -13.5 70.2 10.7 105 111 A F H >> S+ 0 0 2 -4,-0.2 4,-3.3 2,-0.2 3,-0.5 0.985 113.9 49.0 -60.4 -57.0 -12.3 70.3 7.2 106 112 A Y H 3X S+ 0 0 6 -4,-2.6 4,-3.1 1,-0.3 5,-0.3 0.929 109.9 49.6 -44.8 -62.7 -10.5 73.6 7.6 107 113 A E H 3X S+ 0 0 59 -4,-2.5 4,-0.6 1,-0.2 -1,-0.3 0.824 119.3 39.3 -49.4 -37.4 -8.6 72.6 10.8 108 114 A A H < S+ 0 0 87 -4,-3.1 3,-0.7 -5,-0.3 -1,-0.2 0.860 100.8 52.7 -49.5 -42.8 -4.8 73.6 6.9 111 117 A K H 3< S+ 0 0 121 -4,-0.6 2,-1.6 -5,-0.3 -1,-0.2 0.992 109.5 47.3 -56.5 -64.7 -2.2 71.3 8.5 112 118 A N T 3< S+ 0 0 25 -4,-1.1 -105,-1.7 -104,-0.1 2,-0.4 -0.283 74.6 141.8 -80.0 52.6 -1.4 69.4 5.4 113 120 A I E < -A 6 0A 45 -2,-1.6 2,-0.5 -3,-0.7 -107,-0.2 -0.736 31.6-162.6 -90.9 141.8 -1.0 72.1 2.8 114 121 A L E -A 5 0A 80 -109,-2.7 -109,-0.9 -2,-0.4 -2,-0.1 -0.928 11.2-138.8-131.4 110.2 1.8 71.5 0.2 115 122 A N E -A 4 0A 107 -2,-0.5 2,-0.3 -111,-0.2 -111,-0.2 -0.219 20.7-161.2 -62.9 153.3 3.1 74.3 -1.8 116 123 A Q E - 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