==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 05-FEB-13 4J3D . COMPND 2 MOLECULE: UDP-3-O-[3-HYDROXYMYRISTOYL] N-ACETYLGLUCOSAMINE . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR S.LAHIRI . 573 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25570.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 381 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 8.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 121 21.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 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 . 8 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 32 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 102 17.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.4 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 0 0 3 3 0 0 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 4 0 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 PARALLEL BRIDGES PER LADDER . 4 2 1 5 10 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 . 2 5 1 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 1 A M 0 0 90 0, 0.0 2,-0.9 0, 0.0 277,-0.2 0.000 360.0 360.0 360.0 166.7 4.0 27.7 -15.6 2 2 A I - 0 0 20 275,-2.3 124,-2.9 124,-0.1 275,-0.3 -0.721 360.0-155.4 -75.4 109.7 3.9 26.0 -12.2 3 3 A K E -A 125 0A 46 -2,-0.9 122,-0.2 122,-0.2 120,-0.1 -0.462 15.2-102.0 -88.6 157.7 3.6 29.1 -10.1 4 4 A Q E -A 122 0A 7 120,-2.1 118,-3.2 118,-0.6 2,-0.4 -0.437 40.9-147.2 -68.9 157.8 4.5 29.9 -6.5 5 5 A R E +A 121 0A 21 82,-0.3 85,-2.0 116,-0.2 84,-1.6 -0.961 24.5 162.2-136.3 142.7 1.7 29.9 -4.0 6 6 A T E -A 120 0A 6 114,-2.0 114,-3.0 -2,-0.4 2,-0.2 -0.803 47.3 -72.0-139.8-173.4 0.7 31.7 -0.8 7 7 A L E -A 119 0A 2 83,-0.4 112,-0.3 -2,-0.3 111,-0.1 -0.544 26.6-144.6 -83.2 149.3 -2.5 32.3 1.2 8 8 A K S S+ 0 0 105 110,-3.0 2,-0.3 -2,-0.2 110,-0.2 0.910 81.6 15.9 -77.6 -44.4 -5.3 34.6 -0.1 9 9 A N S S- 0 0 97 108,-1.4 2,-0.2 109,-0.4 -1,-0.2 -0.850 85.2 -95.7-128.3 160.3 -6.2 35.8 3.4 10 10 A I - 0 0 74 -2,-0.3 2,-0.3 19,-0.1 19,-0.2 -0.556 46.3-173.5 -67.9 136.6 -4.9 36.0 7.0 11 11 A I E -B 28 0B 27 17,-2.2 17,-2.9 -2,-0.2 2,-0.3 -0.995 6.7-156.5-139.1 144.2 -6.4 33.1 8.9 12 12 A R E +B 27 0B 168 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.889 10.8 178.0-124.6 152.0 -6.2 32.2 12.6 13 13 A A E -B 26 0B 12 13,-2.6 13,-2.8 -2,-0.3 2,-0.3 -0.939 14.0-147.9-141.2 158.0 -6.5 29.2 14.8 14 14 A T E +B 25 0B 86 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.964 33.9 124.2-125.8 150.5 -6.2 28.4 18.5 15 15 A G E -B 24 0B 17 9,-1.9 9,-2.3 -2,-0.3 2,-0.3 -0.899 48.9 -86.4-171.7-155.8 -4.9 25.3 20.2 16 16 A V E -B 23 0B 58 -2,-0.3 86,-2.8 7,-0.2 87,-0.3 -0.977 35.2-109.4-138.3 141.1 -2.4 23.9 22.7 17 17 A G B > -F 101 0C 0 5,-2.0 4,-2.0 -2,-0.3 182,-0.3 -0.591 22.8-137.6 -72.1 134.1 1.2 22.6 22.4 18 18 A L T 4 S+ 0 0 18 82,-0.5 181,-3.2 -2,-0.3 182,-0.7 0.947 100.3 26.2 -52.8 -54.9 1.5 18.9 22.7 19 19 A H T 4 S+ 0 0 18 178,-0.3 179,-2.1 179,-0.2 -1,-0.2 0.918 128.0 41.8 -81.9 -42.5 4.6 19.0 24.9 20 20 A S T 4 S- 0 0 32 177,-0.2 -2,-0.2 178,-0.1 -1,-0.2 0.743 86.1-144.4 -77.2 -28.2 4.3 22.4 26.5 21 21 A G < + 0 0 31 -4,-2.0 2,-0.3 1,-0.2 -3,-0.1 0.506 51.1 145.7 68.6 5.2 0.6 22.3 27.2 22 22 A E - 0 0 98 1,-0.1 -5,-2.0 -6,-0.1 -1,-0.2 -0.592 54.9-119.4 -81.9 131.4 0.5 26.0 26.5 23 23 A K E -B 16 0B 140 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.2 -0.408 41.2-178.2 -58.5 134.8 -2.4 27.8 24.8 24 24 A V E -B 15 0B 0 -9,-2.3 -9,-1.9 -2,-0.1 2,-0.4 -0.998 26.1-142.0-146.8 137.0 -1.2 29.3 21.6 25 25 A Y E -B 14 0B 118 -2,-0.3 71,-1.4 -11,-0.2 2,-0.5 -0.890 18.4-159.9 -95.2 136.1 -2.8 31.4 18.8 26 26 A L E -BC 13 95B 0 -13,-2.8 -13,-2.6 -2,-0.4 2,-0.5 -0.984 7.6-173.8-122.3 119.2 -1.5 30.6 15.3 27 27 A T E -BC 12 94B 29 67,-2.4 67,-2.9 -2,-0.5 2,-0.5 -0.986 8.8-158.4-118.2 122.4 -2.0 33.2 12.5 28 28 A L E -BC 11 93B 0 -17,-2.9 -17,-2.2 -2,-0.5 65,-0.2 -0.901 16.6-170.3-101.5 128.4 -1.1 32.3 8.9 29 29 A K E - C 0 92B 51 63,-2.7 63,-2.7 -2,-0.5 -19,-0.1 -0.981 26.1-106.9-128.3 136.6 -0.4 35.3 6.7 30 30 A P E - C 0 91B 45 0, 0.0 61,-0.2 0, 0.0 -22,-0.1 -0.233 39.4-167.8 -52.9 142.2 0.1 35.8 3.0 31 31 A A - 0 0 5 59,-0.6 59,-0.2 -24,-0.1 3,-0.1 -0.970 18.7-105.4-136.6 152.7 3.7 36.4 1.9 32 32 A P > - 0 0 75 0, 0.0 3,-1.1 0, 0.0 4,-0.3 -0.069 53.9 -63.4 -71.6 174.8 5.4 37.6 -1.3 33 33 A V T 3 S+ 0 0 50 1,-0.2 -27,-0.0 2,-0.1 90,-0.0 -0.175 118.2 15.5 -53.8 144.4 7.4 35.6 -3.8 34 34 A D T 3 S+ 0 0 102 -3,-0.1 -1,-0.2 1,-0.1 56,-0.0 0.719 90.7 114.2 58.7 26.5 10.7 34.0 -2.6 35 35 A T < - 0 0 41 -3,-1.1 2,-0.1 1,-0.1 55,-0.1 0.852 53.3-166.1 -82.7 -43.1 9.8 34.4 1.1 36 36 A G - 0 0 21 -4,-0.3 55,-2.1 -5,-0.1 2,-0.5 -0.466 48.4 -41.5 78.3-163.0 9.5 30.7 2.1 37 37 A I E -d 91 0B 11 15,-0.3 15,-3.6 53,-0.2 2,-0.4 -0.904 63.7-176.8-101.1 125.5 7.9 30.0 5.5 38 38 A V E -dE 92 51B 23 53,-1.9 55,-2.7 -2,-0.5 2,-0.3 -0.984 13.3-147.6-122.5 133.4 9.0 32.3 8.3 39 39 A F E -dE 93 50B 0 11,-2.6 11,-3.1 -2,-0.4 2,-0.4 -0.707 8.0-162.0 -95.8 151.1 7.9 31.9 11.9 40 40 A C E -dE 94 49B 0 53,-2.1 55,-2.4 -2,-0.3 2,-0.8 -0.902 11.2-150.7-138.8 108.8 7.4 34.9 14.2 41 41 A R E > -dE 95 48B 21 7,-2.8 7,-1.3 -2,-0.4 3,-0.5 -0.700 16.8-178.1 -75.3 108.3 7.3 34.6 18.0 42 42 A T T 3 + 0 0 68 53,-2.6 54,-0.2 -2,-0.8 -1,-0.1 0.270 69.7 66.0 -97.7 13.0 5.0 37.5 18.9 43 43 A D T 3 S+ 0 0 71 52,-0.4 -1,-0.2 5,-0.1 53,-0.1 0.392 84.3 76.1-105.8 1.3 5.2 36.9 22.7 44 44 A L S < S- 0 0 60 -3,-0.5 3,-0.2 4,-0.1 -2,-0.1 0.828 90.0-110.3 -95.8 -37.7 8.9 37.7 23.4 45 45 A D S S+ 0 0 154 3,-0.0 2,-0.1 0, 0.0 -3,-0.1 0.993 112.8 37.0 58.1 86.4 9.8 41.5 23.3 46 46 A P S S- 0 0 103 0, 0.0 -3,-0.1 0, 0.0 -5,-0.1 0.474 107.7-122.8 -75.5 161.1 11.4 41.9 20.9 47 47 A V - 0 0 73 -3,-0.2 2,-0.5 -2,-0.1 -5,-0.2 -0.362 23.1-139.0 -62.5 146.4 9.5 39.5 18.6 48 48 A V E -E 41 0B 26 -7,-1.3 -7,-2.8 2,-0.0 2,-0.4 -0.964 10.6-158.1-115.2 127.8 11.8 36.9 17.1 49 49 A E E -E 40 0B 77 -2,-0.5 -9,-0.3 -9,-0.2 45,-0.0 -0.871 11.9-175.2-105.8 132.2 11.4 35.9 13.4 50 50 A I E -E 39 0B 0 -11,-3.1 -11,-2.6 -2,-0.4 18,-0.1 -0.892 20.6-133.1-135.7 110.2 12.8 32.4 12.3 51 51 A P E -E 38 0B 45 0, 0.0 2,-1.9 0, 0.0 -13,-0.3 -0.295 23.3-121.7 -57.5 138.6 12.9 31.1 8.8 52 52 A A + 0 0 6 -15,-3.6 -15,-0.3 14,-0.1 2,-0.3 -0.611 67.0 129.3 -82.8 75.0 11.6 27.5 8.4 53 53 A R S > S- 0 0 109 -2,-1.9 3,-2.4 -17,-0.1 4,-0.3 -0.950 71.9-106.4-132.2 160.9 14.9 26.2 6.9 54 54 A A G > S+ 0 0 5 185,-2.0 3,-1.4 -2,-0.3 186,-0.1 0.763 113.6 59.6 -50.4 -42.3 17.2 23.3 7.6 55 55 A E G 3 S+ 0 0 130 1,-0.3 -1,-0.3 184,-0.2 -3,-0.1 0.621 99.9 57.9 -63.9 -19.8 20.0 25.4 9.1 56 56 A N G < S+ 0 0 28 -3,-2.4 11,-2.8 183,-0.1 2,-0.5 0.410 74.4 111.8 -95.1 -0.9 17.7 26.6 11.9 57 57 A V E < +G 66 0D 9 -3,-1.4 9,-0.2 -4,-0.3 3,-0.1 -0.642 34.4 162.0 -74.6 120.5 16.8 23.2 13.2 58 58 A G E + 0 0 48 7,-2.5 2,-0.3 -2,-0.5 -1,-0.2 0.764 56.9 27.9-111.0 -45.2 18.4 23.0 16.7 59 59 A E E +G 65 0D 90 6,-0.9 6,-2.1 1,-0.1 -1,-0.3 -0.894 48.0 178.7-123.2 154.8 16.8 20.2 18.6 60 60 A T + 0 0 39 -2,-0.3 196,-0.5 4,-0.2 195,-0.3 0.073 35.2 127.7-145.2 28.9 15.2 17.0 17.4 61 61 A T S S- 0 0 98 1,-0.1 194,-0.2 194,-0.1 195,-0.2 0.946 97.3 -22.7 -52.7 -89.0 14.0 15.0 20.5 62 62 A M S S+ 0 0 67 1,-0.1 2,-0.3 192,-0.1 -1,-0.1 0.471 136.1 22.8-106.6 -4.4 10.3 14.2 19.7 63 63 A S S S- 0 0 4 14,-0.0 2,-0.6 13,-0.0 -1,-0.1 -0.955 89.1 -89.3-150.4 164.5 9.7 17.0 17.3 64 64 A T - 0 0 2 -2,-0.3 12,-1.7 -4,-0.1 11,-0.6 -0.766 45.5-166.2 -79.7 124.8 11.5 19.3 14.9 65 65 A T E -GH 59 74D 2 -6,-2.1 -7,-2.5 -2,-0.6 -6,-0.9 -0.945 10.7-149.9-117.4 125.5 12.5 22.4 16.8 66 66 A L E -GH 57 73D 0 7,-3.5 7,-2.7 -2,-0.5 2,-0.3 -0.754 21.1-172.0 -90.6 141.4 13.6 25.7 15.2 67 67 A V E + H 0 72D 47 -11,-2.8 2,-0.3 -2,-0.4 5,-0.2 -0.985 24.8 176.7-135.6 144.1 16.1 27.8 17.2 68 68 A K E > S- H 0 71D 112 3,-2.2 3,-2.2 -2,-0.3 2,-0.2 -0.916 77.1 -46.1-139.6 112.8 17.7 31.2 17.0 69 69 A G T 3 S- 0 0 79 -2,-0.3 0, 0.0 1,-0.3 0, 0.0 -0.422 124.2 -22.0 60.7-124.8 19.9 31.9 20.1 70 70 A D T 3 S+ 0 0 161 -2,-0.2 2,-0.5 -3,-0.1 -1,-0.3 0.219 117.5 100.6 -99.8 13.1 17.9 30.9 23.1 71 71 A V E < -H 68 0D 20 -3,-2.2 -3,-2.2 2,-0.0 2,-0.3 -0.870 52.4-170.1-107.5 130.0 14.5 31.2 21.4 72 72 A K E -H 67 0D 84 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.855 25.0-169.4-118.5 151.8 12.7 28.1 20.1 73 73 A V E -H 66 0D 1 -7,-2.7 -7,-3.5 -2,-0.3 3,-0.3 -0.942 31.6-175.0-124.5 106.4 9.7 27.2 17.9 74 74 A D E +Hi 65 99D 15 24,-1.6 26,-1.9 -2,-0.4 -9,-0.2 -0.615 51.2 33.7-108.7 167.5 9.1 23.5 18.3 75 75 A T + 0 0 5 -11,-0.6 4,-0.3 -2,-0.2 3,-0.2 0.919 63.9 145.4 59.1 51.3 6.8 20.9 16.8 76 76 A V > + 0 0 0 -12,-1.7 4,-2.4 -3,-0.3 5,-0.2 0.494 44.2 90.7 -82.8 -7.6 6.7 22.6 13.3 77 77 A E H > S+ 0 0 5 -13,-0.2 4,-1.8 1,-0.2 -1,-0.1 0.809 84.2 45.7 -68.6 -36.0 6.5 19.3 11.5 78 78 A H H > S+ 0 0 5 -3,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.917 115.6 46.2 -76.0 -42.5 2.7 18.8 11.2 79 79 A L H > S+ 0 0 0 -4,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.902 115.3 47.2 -60.6 -46.2 2.1 22.4 10.1 80 80 A L H X S+ 0 0 1 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.828 107.9 55.6 -67.0 -35.1 5.0 22.2 7.5 81 81 A S H X S+ 0 0 0 -4,-1.8 4,-2.8 2,-0.2 -1,-0.2 0.898 107.7 49.9 -59.2 -42.9 3.7 18.9 6.3 82 82 A A H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.936 111.6 48.6 -62.5 -44.0 0.3 20.6 5.6 83 83 A M H X>S+ 0 0 0 -4,-2.1 5,-2.6 2,-0.2 4,-0.7 0.918 113.1 46.2 -59.7 -49.0 2.1 23.4 3.7 84 84 A A H ><5S+ 0 0 14 -4,-2.7 3,-1.0 1,-0.2 -1,-0.2 0.933 111.0 54.9 -59.8 -46.9 4.1 20.9 1.7 85 85 A G H 3<5S+ 0 0 15 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.811 114.4 37.5 -56.5 -39.7 1.0 19.0 1.0 86 86 A L H 3<5S- 0 0 0 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.417 113.3-116.7 -96.5 0.9 -0.9 21.9 -0.4 87 87 A G T <<5 + 0 0 1 -3,-1.0 2,-0.6 -4,-0.7 -82,-0.3 0.808 49.5 169.8 71.9 32.2 2.2 23.3 -2.1 88 88 A I < + 0 0 0 -5,-2.6 -1,-0.2 -6,-0.2 -82,-0.2 -0.681 9.0 175.5 -78.5 114.6 2.4 26.6 -0.1 89 89 A D + 0 0 16 -84,-1.6 2,-0.4 -2,-0.6 -83,-0.2 0.866 63.5 34.4 -85.8 -41.6 5.7 28.3 -0.9 90 90 A N + 0 0 2 -85,-2.0 -59,-0.6 -59,-0.2 -83,-0.4 -0.966 67.8 130.6-127.2 125.0 5.4 31.5 1.0 91 91 A A E -Cd 30 37B 0 -55,-2.1 -53,-1.9 -2,-0.4 2,-0.4 -0.944 41.8-131.1-166.5 148.5 3.7 32.3 4.3 92 92 A Y E -Cd 29 38B 72 -63,-2.7 -63,-2.7 -2,-0.3 2,-0.5 -0.846 18.8-161.8 -94.9 141.7 4.3 34.0 7.6 93 93 A V E -Cd 28 39B 0 -55,-2.7 -53,-2.1 -2,-0.4 2,-0.5 -0.968 5.3-167.0-123.8 110.8 3.3 32.0 10.7 94 94 A E E -Cd 27 40B 37 -67,-2.9 -67,-2.4 -2,-0.5 2,-0.4 -0.880 8.2-172.2-105.4 131.3 2.9 34.1 13.8 95 95 A L E -Cd 26 41B 0 -55,-2.4 -53,-2.6 -2,-0.5 -52,-0.4 -0.963 25.6-153.2-126.2 140.8 2.7 32.2 17.1 96 96 A S S S+ 0 0 36 -71,-1.4 2,-0.3 -2,-0.4 -70,-0.1 0.330 83.3 28.6 -95.3 2.4 1.9 33.5 20.6 97 97 A A S S- 0 0 5 -72,-0.2 -55,-0.1 2,-0.1 -73,-0.1 -0.924 91.4 -95.6-152.3 174.8 4.0 30.7 22.3 98 98 A S S S+ 0 0 13 -2,-0.3 -24,-1.6 -25,-0.1 2,-0.4 0.813 100.4 60.3 -68.8 -32.7 7.0 28.5 21.7 99 99 A E B S-i 74 0D 1 -26,-0.2 -24,-0.2 -76,-0.1 -3,-0.1 -0.834 79.6-124.4-108.4 132.9 5.0 25.4 20.4 100 100 A V - 0 0 1 -26,-1.9 -82,-0.5 -2,-0.4 -84,-0.1 -0.370 47.4 -93.4 -57.6 140.2 2.7 25.1 17.3 101 101 A P B -F 17 0C 3 0, 0.0 -84,-0.3 0, 0.0 -1,-0.1 -0.299 22.0-142.1 -61.5 146.1 -0.7 23.7 18.4 102 102 A I > + 0 0 4 -86,-2.8 3,-2.4 1,-0.2 4,-0.2 0.761 30.9 178.4 -78.5 -23.5 -1.3 20.0 18.2 103 103 A M T 3 S- 0 0 51 -87,-0.3 -1,-0.2 1,-0.3 4,-0.1 -0.350 73.1 -17.7 51.8-125.7 -4.9 20.4 16.9 104 104 A D T 3 S- 0 0 35 2,-0.2 -1,-0.3 -2,-0.1 3,-0.1 0.258 99.6 -97.1 -90.1 16.3 -6.2 16.8 16.3 105 105 A G S < S+ 0 0 0 -3,-2.4 76,-1.1 1,-0.3 2,-0.1 0.280 100.1 77.9 88.3 -12.4 -2.7 15.2 16.3 106 106 A S S S- 0 0 0 74,-0.2 -1,-0.3 -4,-0.2 4,-0.2 -0.438 90.5-107.5-117.7-173.5 -2.6 15.3 12.5 107 107 A A S > S+ 0 0 0 70,-2.3 4,-2.9 72,-0.3 3,-0.5 0.577 93.7 94.7 -89.9 -14.0 -2.1 17.7 9.5 108 108 A G H > S+ 0 0 14 69,-1.2 4,-2.7 1,-0.3 5,-0.2 0.879 83.1 46.7 -45.8 -54.8 -5.9 17.6 8.7 109 109 A P H > S+ 0 0 31 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.854 114.8 47.7 -59.9 -37.6 -6.9 20.8 10.6 110 110 A F H > S+ 0 0 1 -3,-0.5 4,-2.9 -4,-0.2 5,-0.3 0.935 110.1 51.8 -70.3 -46.9 -3.9 22.7 9.2 111 111 A V H X S+ 0 0 12 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.921 113.1 46.2 -49.3 -44.6 -4.8 21.5 5.6 112 112 A F H X S+ 0 0 146 -4,-2.7 4,-2.2 -5,-0.2 -1,-0.2 0.850 112.1 50.1 -71.9 -35.9 -8.3 22.7 6.1 113 113 A L H X S+ 0 0 22 -4,-1.9 4,-1.7 -5,-0.2 5,-0.2 0.946 110.1 49.7 -63.3 -53.6 -7.3 26.0 7.6 114 114 A I H X S+ 0 0 0 -4,-2.9 4,-0.6 1,-0.2 3,-0.5 0.929 113.6 46.7 -53.0 -46.7 -4.9 26.7 4.8 115 115 A Q H >< S+ 0 0 72 -4,-2.3 3,-1.2 -5,-0.3 -1,-0.2 0.909 107.7 56.7 -65.7 -37.0 -7.6 25.9 2.3 116 116 A S H 3< S+ 0 0 67 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.770 103.4 53.8 -65.7 -26.0 -10.1 28.1 4.2 117 117 A A H 3< S- 0 0 3 -4,-1.7 -108,-1.4 -3,-0.5 -1,-0.3 0.658 117.0-123.5 -72.6 -21.1 -7.8 31.1 3.8 118 118 A G << - 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