==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 26-OCT-07 2VES . COMPND 2 MOLECULE: UDP-3-O-[3-HYDROXYMYRISTOYL] N-ACETYLGLUCOSAMINE . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR I.MOCHALKIN,J.D.KNAFELS . 881 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36665.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 576 65.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 71 8.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 166 18.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.3 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 . 9 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 . 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 . 50 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 78 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 152 17.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.0 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 0 0 1 1 4 4 0 0 3 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 6 0 3 3 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 . 6 0 1 12 11 3 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 . 2 8 2 6 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 86 0, 0.0 2,-0.6 0, 0.0 286,-0.2 0.000 360.0 360.0 360.0 162.5 66.2 60.7 47.2 2 2 A I - 0 0 42 284,-2.2 124,-2.7 124,-0.2 284,-0.3 -0.762 360.0-146.0 -78.3 120.6 65.1 58.0 44.8 3 3 A K E -A 125 0A 62 -2,-0.6 122,-0.2 122,-0.3 120,-0.1 -0.541 11.7-103.2 -95.2 153.3 68.4 56.7 43.5 4 4 A Q E - 0 0 7 120,-2.9 118,-2.9 118,-0.4 2,-0.4 -0.325 40.2-145.2 -62.9 156.4 69.6 55.3 40.2 5 5 A R E +A 121 0A 70 116,-0.2 84,-2.2 82,-0.2 85,-2.0 -0.985 24.0 165.3-135.2 135.8 69.8 51.5 40.1 6 6 A T E -A 120 0A 6 114,-2.8 114,-2.8 -2,-0.4 2,-0.2 -0.642 45.9 -74.0-126.5-169.5 72.2 49.0 38.3 7 7 A L E -A 119 0A 2 83,-0.5 112,-0.2 112,-0.2 111,-0.2 -0.624 27.5-142.4 -88.7 152.7 72.9 45.3 38.7 8 8 A K S S+ 0 0 128 110,-1.7 2,-0.3 109,-0.3 110,-0.2 0.846 80.0 9.4 -82.3 -35.9 74.9 43.9 41.7 9 9 A N S S- 0 0 99 108,-1.0 2,-0.2 109,-0.3 -1,-0.2 -0.907 82.3 -93.2-140.2 164.7 76.7 41.3 39.7 10 10 A I - 0 0 70 -2,-0.3 2,-0.3 19,-0.1 19,-0.2 -0.511 40.3-170.5 -72.3 145.4 77.4 40.0 36.2 11 11 A I E -B 28 0B 28 17,-2.2 17,-2.9 -2,-0.2 2,-0.3 -0.994 5.7-157.6-142.1 142.4 75.0 37.3 34.9 12 12 A R E +B 27 0B 176 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.856 16.7 160.8-117.7 150.1 75.2 35.1 31.7 13 13 A A E -B 26 0B 23 13,-2.6 13,-2.9 -2,-0.3 2,-0.3 -0.958 20.2-144.2-156.7 168.6 72.6 33.2 29.8 14 14 A T E +B 25 0B 66 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.944 20.4 158.2-136.5 158.0 72.0 31.7 26.4 15 15 A G E -B 24 0B 14 9,-1.6 9,-3.3 -2,-0.3 2,-0.2 -0.949 44.7 -83.7-170.7 159.8 69.0 31.3 24.1 16 16 A V E -B 23 0B 49 -2,-0.3 86,-1.6 7,-0.3 87,-0.5 -0.472 42.4-118.7 -72.0 138.8 68.3 30.7 20.4 17 17 A G > - 0 0 0 5,-3.2 4,-2.0 84,-0.2 191,-0.1 -0.648 14.5-142.5 -72.4 129.5 68.2 33.7 18.1 18 18 A L T 4 S+ 0 0 37 -2,-0.4 190,-3.3 82,-0.4 191,-0.6 0.922 99.5 37.8 -55.8 -46.5 64.8 34.1 16.5 19 19 A H T 4 S+ 0 0 67 187,-0.3 188,-1.8 188,-0.2 -1,-0.1 0.965 127.2 30.2 -71.1 -56.9 66.3 35.1 13.2 20 20 A S T 4 S- 0 0 35 2,-0.2 -2,-0.2 186,-0.1 -1,-0.1 0.724 87.5-137.8 -80.1 -27.4 69.4 32.9 12.9 21 21 A G < + 0 0 34 -4,-2.0 2,-0.3 1,-0.3 -3,-0.1 0.548 65.8 122.7 73.1 8.6 68.2 29.9 14.8 22 22 A E S S- 0 0 137 1,-0.1 -5,-3.2 -5,-0.1 -1,-0.3 -0.701 74.9 -94.3-100.3 151.6 71.7 29.8 16.4 23 23 A K E -B 16 0B 115 -2,-0.3 2,-0.4 -7,-0.3 -7,-0.3 -0.466 40.5-154.6 -61.1 128.9 72.5 29.9 20.1 24 24 A V E -B 15 0B 1 -9,-3.3 -9,-1.6 -2,-0.2 2,-0.5 -0.918 7.0-138.0-110.4 137.9 73.2 33.5 21.2 25 25 A Y E -B 14 0B 124 -2,-0.4 71,-1.1 -11,-0.2 2,-0.4 -0.869 22.8-171.3-103.5 122.1 75.3 34.3 24.3 26 26 A L E -BC 13 95B 4 -13,-2.9 -13,-2.6 -2,-0.5 2,-0.4 -0.923 10.2-177.0-119.1 133.6 74.1 37.1 26.6 27 27 A T E -BC 12 94B 16 67,-2.0 67,-2.9 -2,-0.4 2,-0.5 -0.999 10.9-157.6-128.3 129.8 75.7 38.8 29.5 28 28 A L E -BC 11 93B 2 -17,-2.9 -17,-2.2 -2,-0.4 65,-0.2 -0.928 21.2-175.9-101.0 128.6 74.1 41.5 31.7 29 29 A K E - C 0 92B 57 63,-2.6 63,-2.2 -2,-0.5 -22,-0.1 -0.928 29.4-104.6-124.1 149.1 76.6 43.7 33.5 30 30 A P E - C 0 91B 42 0, 0.0 61,-0.2 0, 0.0 62,-0.1 -0.273 40.2-163.1 -55.0 154.3 76.5 46.5 36.1 31 31 A A - 0 0 6 59,-0.5 59,-0.1 -24,-0.1 3,-0.1 -0.981 19.6 -96.7-143.4 153.3 77.1 50.0 34.6 32 32 A P > - 0 0 75 0, 0.0 3,-1.7 0, 0.0 4,-0.3 -0.151 57.4 -69.5 -63.9 165.2 78.1 53.4 36.0 33 33 A V T 3 S+ 0 0 52 1,-0.2 -27,-0.0 2,-0.1 90,-0.0 -0.209 119.8 14.7 -48.6 138.3 75.7 56.2 36.8 34 34 A D T 3 S+ 0 0 98 -3,-0.1 -1,-0.2 1,-0.1 56,-0.0 0.530 89.7 116.0 68.9 13.1 74.0 57.8 33.8 35 35 A T < - 0 0 39 -3,-1.7 -2,-0.1 1,-0.2 2,-0.1 0.888 54.5-165.2 -72.9 -38.3 75.1 55.0 31.4 36 36 A G - 0 0 18 -4,-0.3 55,-2.1 -5,-0.1 2,-0.5 -0.426 49.3 -38.8 75.7-164.2 71.5 54.0 30.6 37 37 A I E -d 91 0B 9 15,-0.3 15,-3.1 53,-0.2 2,-0.4 -0.860 67.4-173.9 -94.2 125.5 71.1 50.6 28.9 38 38 A V E -dE 92 51B 7 53,-2.2 55,-2.8 -2,-0.5 2,-0.3 -0.985 14.4-146.5-123.6 128.0 73.9 49.9 26.3 39 39 A F E -dE 93 50B 1 11,-2.5 11,-3.1 -2,-0.4 2,-0.4 -0.746 15.4-161.9 -91.0 141.4 74.0 47.0 24.0 40 40 A S E -dE 94 49B 4 53,-3.0 55,-3.1 -2,-0.3 2,-1.0 -0.991 14.8-148.5-131.7 123.1 77.4 45.6 23.1 41 41 A R E > +dE 95 48B 25 7,-2.7 7,-1.1 -2,-0.4 3,-0.8 -0.797 19.1 176.4 -88.8 99.5 78.3 43.3 20.2 42 42 A T T 3 S+ 0 0 61 53,-1.9 54,-0.2 -2,-1.0 -1,-0.1 0.509 70.9 71.9 -86.5 -4.5 81.2 41.3 21.5 43 43 A D T 3 S+ 0 0 77 52,-0.7 2,-0.2 5,-0.1 -1,-0.2 0.673 88.8 78.1 -77.4 -19.1 81.5 39.2 18.4 44 44 A L S < S- 0 0 50 -3,-0.8 4,-0.1 4,-0.1 53,-0.0 -0.634 84.2-116.0 -94.9 150.0 82.9 42.2 16.5 45 45 A D S S+ 0 0 165 -2,-0.2 2,-0.2 1,-0.1 -3,-0.0 -0.977 108.8 31.1-126.9 113.6 86.5 43.6 16.6 46 46 A P S S- 0 0 101 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 0.608 110.4-115.4 -67.3 163.6 86.4 46.3 17.8 47 47 A V - 0 0 76 -2,-0.2 2,-0.5 -5,-0.1 -5,-0.2 -0.408 28.4-142.6 -63.1 140.2 83.5 45.8 20.0 48 48 A V E -E 41 0B 29 -7,-1.1 -7,-2.7 -2,-0.1 2,-0.4 -0.960 11.4-160.6-115.9 123.5 80.5 48.0 19.0 49 49 A E E -E 40 0B 87 -2,-0.5 -9,-0.2 -9,-0.2 45,-0.0 -0.855 5.4-171.3-103.2 136.5 78.3 49.6 21.6 50 50 A I E -E 39 0B 1 -11,-3.1 -11,-2.5 -2,-0.4 18,-0.1 -0.934 19.7-136.7-127.6 108.4 74.8 50.9 20.9 51 51 A P E -E 38 0B 48 0, 0.0 2,-2.0 0, 0.0 -13,-0.3 -0.361 25.2-117.3 -56.2 136.8 73.0 53.0 23.5 52 52 A A + 0 0 6 -15,-3.1 2,-0.3 14,-0.1 -15,-0.3 -0.578 66.1 138.4 -79.2 80.3 69.4 52.0 23.9 53 53 A R > - 0 0 111 -2,-2.0 3,-2.0 196,-0.1 4,-0.2 -0.943 65.8-115.5-131.2 152.2 68.0 55.4 22.8 54 54 A A G > S+ 0 0 0 194,-2.0 3,-1.3 -2,-0.3 218,-0.1 0.811 113.6 57.4 -54.5 -38.3 65.1 56.5 20.6 55 55 A E G 3 S+ 0 0 95 1,-0.2 -1,-0.3 193,-0.2 -3,-0.1 0.708 99.6 60.6 -65.5 -23.2 67.5 58.2 18.1 56 56 A N G < S+ 0 0 50 -3,-2.0 11,-2.9 192,-0.1 2,-0.6 0.365 75.0 115.2 -90.8 5.0 69.3 54.9 17.5 57 57 A V B < +F 66 0C 7 -3,-1.3 9,-0.2 9,-0.2 3,-0.1 -0.665 35.0 170.3 -80.3 118.0 66.3 53.0 16.2 58 58 A G + 0 0 37 7,-2.4 -1,-0.1 -2,-0.6 8,-0.1 0.684 58.0 7.5 -87.5-105.2 66.7 51.9 12.6 59 59 A E - 0 0 99 1,-0.1 6,-1.8 7,-0.1 -1,-0.3 -0.327 47.5-175.1 -83.4 163.0 64.1 49.5 11.3 60 60 A T + 0 0 31 4,-0.2 205,-0.5 -3,-0.1 204,-0.3 0.032 40.4 126.9-142.9 24.1 60.9 48.4 13.2 61 61 A T S S- 0 0 117 1,-0.1 203,-0.1 203,-0.1 204,-0.1 0.945 95.5 -9.9 -59.0 -59.5 59.5 45.8 10.8 62 62 A M S S+ 0 0 98 1,-0.2 2,-0.2 201,-0.1 -1,-0.1 0.743 137.0 4.1-109.5 -38.0 59.1 42.9 13.3 63 63 A S S S- 0 0 12 200,-0.1 2,-0.6 201,-0.0 -1,-0.2 -0.757 90.2 -78.3-133.0-178.4 60.9 44.1 16.4 64 64 A T - 0 0 2 -2,-0.2 12,-1.3 -4,-0.1 2,-0.5 -0.793 48.3-160.7 -87.4 123.3 62.7 47.3 17.6 65 65 A T - 0 0 2 -6,-1.8 -7,-2.4 -2,-0.6 2,-0.3 -0.932 7.9-153.7-112.8 122.4 66.2 47.4 16.0 66 66 A L E -FG 57 73C 0 7,-3.1 7,-2.3 -2,-0.5 2,-0.4 -0.742 21.5-170.1 -87.1 142.6 69.0 49.5 17.3 67 67 A V E + G 0 72C 49 -11,-2.9 2,-0.3 -2,-0.3 5,-0.2 -0.988 27.1 177.6-140.2 141.9 71.6 50.5 14.7 68 68 A K E > S- G 0 71C 109 3,-2.8 3,-2.1 -2,-0.4 2,-0.3 -0.862 74.3 -53.9-139.6 107.4 75.1 52.2 14.5 69 69 A G T 3 S- 0 0 79 -2,-0.3 -1,-0.0 1,-0.3 0, 0.0 -0.473 122.6 -17.5 61.7-122.8 76.3 52.3 10.9 70 70 A D T 3 S+ 0 0 160 -2,-0.3 2,-0.4 -3,-0.1 -1,-0.3 0.343 120.0 95.0 -94.0 4.0 76.1 48.8 9.5 71 71 A V E < +G 68 0C 16 -3,-2.1 -3,-2.8 2,-0.0 2,-0.3 -0.818 52.7 176.5-100.7 136.8 75.9 47.2 13.0 72 72 A K E -G 67 0C 62 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.932 25.0-165.7-136.3 158.6 72.5 46.3 14.5 73 73 A V E +G 66 0C 0 -7,-2.3 -7,-3.1 -2,-0.3 26,-0.3 -0.928 22.8 179.5-138.7 116.7 70.8 44.6 17.4 74 74 A D B +h 99 0D 19 24,-2.3 26,-1.8 -2,-0.3 -9,-0.2 -0.521 54.9 49.5-110.7-176.6 67.2 43.8 17.1 75 75 A T + 0 0 18 -11,-0.2 4,-0.3 24,-0.2 3,-0.2 0.865 67.8 137.2 53.2 43.2 64.6 42.2 19.4 76 76 A V > + 0 0 0 -12,-1.3 4,-2.2 -3,-0.2 5,-0.2 0.670 44.7 80.7 -84.3 -18.4 65.6 44.5 22.2 77 77 A E H > S+ 0 0 6 -13,-0.2 4,-2.1 1,-0.2 -1,-0.1 0.784 85.1 53.2 -71.7 -31.9 62.1 45.4 23.5 78 78 A H H > S+ 0 0 13 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.931 114.4 42.8 -70.1 -42.6 61.3 42.3 25.7 79 79 A L H > S+ 0 0 0 -4,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.907 113.8 52.2 -64.6 -43.4 64.5 42.7 27.7 80 80 A L H X S+ 0 0 0 -4,-2.2 4,-3.0 1,-0.2 5,-0.2 0.878 104.1 57.5 -62.3 -34.6 64.1 46.5 27.8 81 81 A S H X S+ 0 0 0 -4,-2.1 4,-3.0 1,-0.2 -1,-0.2 0.893 108.4 46.4 -61.6 -39.4 60.5 46.0 29.2 82 82 A A H X S+ 0 0 0 -4,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.891 111.3 50.8 -70.9 -41.5 62.0 44.0 32.1 83 83 A M H X>S+ 0 0 0 -4,-2.3 5,-2.7 2,-0.2 4,-0.5 0.940 115.8 43.1 -57.6 -47.9 64.7 46.6 32.7 84 84 A A H ><5S+ 0 0 21 -4,-3.0 3,-1.1 3,-0.2 -2,-0.2 0.941 113.4 52.1 -60.8 -49.7 61.9 49.2 32.8 85 85 A G H 3<5S+ 0 0 32 -4,-3.0 96,-0.3 1,-0.3 -1,-0.2 0.801 115.6 39.6 -59.1 -34.7 59.6 47.0 34.8 86 86 A L H 3<5S- 0 0 21 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.350 113.8-113.8-100.4 4.1 62.2 46.4 37.5 87 87 A G T <<5 + 0 0 12 -3,-1.1 2,-0.7 -4,-0.5 -3,-0.2 0.817 53.3 163.6 71.9 33.5 63.6 49.9 37.5 88 88 A I < + 0 0 0 -5,-2.7 -1,-0.2 -6,-0.2 -82,-0.2 -0.773 9.4 174.2 -85.7 117.3 67.1 49.2 36.2 89 89 A D + 0 0 8 -84,-2.2 2,-0.5 -2,-0.7 -83,-0.2 0.891 63.5 35.7 -85.9 -45.5 68.7 52.5 35.0 90 90 A N + 0 0 3 -85,-2.0 -59,-0.5 -59,-0.1 -83,-0.5 -0.948 69.5 127.1-124.7 124.6 72.2 51.4 34.1 91 91 A A E -Cd 30 37B 0 -55,-2.1 -53,-2.2 -2,-0.5 2,-0.4 -0.935 43.0-129.0-168.7 149.5 73.4 48.2 32.6 92 92 A Y E -Cd 29 38B 61 -63,-2.2 -63,-2.6 -2,-0.3 2,-0.5 -0.874 15.4-160.1 -99.8 141.4 75.4 46.7 29.7 93 93 A V E -Cd 28 39B 0 -55,-2.8 -53,-3.0 -2,-0.4 2,-0.4 -0.938 10.3-164.0-120.6 103.0 73.9 44.0 27.6 94 94 A E E -Cd 27 40B 41 -67,-2.9 -67,-2.0 -2,-0.5 2,-0.3 -0.728 10.5-176.3 -89.9 136.5 76.7 42.0 25.8 95 95 A L E -Cd 26 41B 0 -55,-3.1 -53,-1.9 -2,-0.4 -52,-0.7 -0.987 32.3-149.2-135.2 146.0 75.6 39.9 22.8 96 96 A S S S+ 0 0 39 -71,-1.1 2,-0.3 -2,-0.3 -70,-0.1 0.307 85.2 28.7 -88.7 4.9 77.3 37.4 20.5 97 97 A A S S- 0 0 22 2,-0.2 2,-0.1 -72,-0.2 -55,-0.1 -0.951 95.1 -85.1-158.3 172.1 74.9 38.3 17.6 98 98 A S S S+ 0 0 23 -2,-0.3 -24,-2.3 -25,-0.1 2,-0.3 0.099 104.4 51.9 -75.6 23.4 72.7 40.9 16.0 99 99 A E B S-h 74 0D 2 -26,-0.3 -2,-0.2 -2,-0.1 -24,-0.2 -0.988 79.8-117.5-156.7 147.0 69.7 40.0 18.3 100 100 A V - 0 0 1 -26,-1.8 -82,-0.4 -2,-0.3 -22,-0.1 -0.711 55.2 -97.2 -76.0 136.4 68.8 39.4 21.9 101 101 A P - 0 0 3 0, 0.0 -84,-0.2 0, 0.0 -85,-0.1 -0.271 26.1-134.9 -58.4 145.2 67.7 35.8 22.3 102 102 A I > - 0 0 11 -86,-1.6 3,-2.2 1,-0.2 4,-0.2 0.720 33.5-179.8 -78.8 -21.9 63.9 35.4 22.1 103 103 A M T 3 - 0 0 38 -87,-0.5 -1,-0.2 1,-0.3 -87,-0.1 -0.329 69.8 -19.9 57.1-128.7 63.8 33.0 25.1 104 104 A D T 3 S- 0 0 37 2,-0.2 -1,-0.3 109,-0.0 3,-0.1 0.323 97.3 -99.9 -92.5 11.5 60.1 32.0 25.7 105 105 A G S < S+ 0 0 0 -3,-2.2 85,-1.3 1,-0.3 2,-0.2 0.398 98.4 79.0 86.3 -1.3 58.7 35.0 23.7 106 106 A S S S- 0 0 0 83,-0.2 -1,-0.3 -4,-0.2 81,-0.2 -0.504 90.9-106.1-121.0-171.0 58.0 37.0 26.9 107 107 A A S > S+ 0 0 0 79,-2.4 4,-2.0 81,-0.2 3,-0.4 0.445 90.5 100.5 -94.5 -3.2 59.9 39.1 29.5 108 108 A G H > S+ 0 0 19 78,-0.9 4,-1.8 1,-0.2 5,-0.1 0.868 78.3 48.7 -53.2 -51.8 59.7 36.3 32.1 109 109 A P H > S+ 0 0 34 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.860 111.0 52.2 -57.9 -35.9 63.2 34.9 31.7 110 110 A F H > S+ 0 0 2 -3,-0.4 4,-2.7 2,-0.2 5,-0.3 0.850 103.1 57.9 -71.6 -35.5 64.7 38.4 31.9 111 111 A V H X S+ 0 0 10 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.945 109.8 45.6 -54.1 -48.7 62.9 39.1 35.1 112 112 A F H X S+ 0 0 133 -4,-1.8 4,-2.8 2,-0.2 5,-0.2 0.949 113.3 48.3 -60.4 -49.4 64.6 36.1 36.6 113 113 A L H X S+ 0 0 16 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.913 113.9 46.2 -61.3 -43.4 68.1 37.0 35.3 114 114 A I H X S+ 0 0 0 -4,-2.7 4,-1.4 2,-0.2 -1,-0.2 0.941 115.5 45.5 -62.9 -49.1 67.8 40.6 36.5 115 115 A Q H < S+ 0 0 114 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.861 113.1 50.4 -65.9 -36.4 66.6 39.7 39.9 116 116 A S H < S+ 0 0 72 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.859 107.6 53.2 -69.0 -36.3 69.2 36.9 40.2 117 117 A A H < S- 0 0 4 -4,-2.3 -108,-1.0 -5,-0.2 -109,-0.3 0.818 114.0-134.7 -64.3 -30.1 72.0 39.4 39.2 118 118 A G < - 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