==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 30-JUN-12 4FW7 . COMPND 2 MOLECULE: UDP-3-O-[3-HYDROXYMYRISTOYL] N-ACETYLGLUCOSAMINE . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR Y.N.KANG,J.A.STUCKEY . 1206 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 51309.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 797 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 92 7.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 232 19.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 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 . 12 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 . 89 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 111 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 200 16.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.1 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 6 0 2 0 0 4 6 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 8 0 4 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 PARALLEL BRIDGES PER LADDER . 6 4 2 16 14 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 ANTIPARALLEL BRIDGES PER LADDER . 4 10 2 8 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 N 0 0 81 0, 0.0 2,-0.7 0, 0.0 969,-0.2 0.000 360.0 360.0 360.0 -13.7 20.2 -10.7 8.6 2 0 A A - 0 0 9 969,-0.1 289,-3.4 970,-0.0 2,-0.2 -0.751 360.0-154.0 -84.2 110.2 21.8 -8.3 11.2 3 1 A M - 0 0 44 -2,-0.7 2,-0.7 287,-0.2 286,-0.2 -0.586 21.0-111.0 -87.1 152.5 18.9 -7.1 13.4 4 2 A I - 0 0 18 284,-2.8 124,-2.6 -2,-0.2 284,-0.3 -0.731 47.0-156.6 -81.3 114.2 18.8 -3.8 15.3 5 3 A K E -A 127 0A 9 -2,-0.7 122,-0.2 122,-0.3 120,-0.1 -0.609 18.3-101.2 -96.9 155.6 19.0 -4.9 18.8 6 4 A Q E - 0 0 5 120,-2.8 118,-3.1 118,-0.2 2,-0.4 -0.372 42.7-144.5 -62.1 149.0 18.0 -3.4 22.2 7 5 A R E +A 123 0A 12 82,-0.3 85,-2.1 116,-0.2 84,-1.9 -0.954 24.5 166.5-124.5 146.9 21.0 -2.0 24.1 8 6 A T E -A 122 0A 6 114,-2.3 114,-3.0 -2,-0.4 2,-0.2 -0.728 46.9 -70.7-134.1-173.1 22.0 -1.7 27.7 9 7 A L E -A 121 0A 2 83,-0.4 112,-0.3 112,-0.2 24,-0.1 -0.568 25.9-149.6 -82.8 145.0 25.2 -0.8 29.6 10 8 A K S S+ 0 0 89 110,-2.8 2,-0.3 -2,-0.2 111,-0.1 0.805 82.7 12.2 -81.6 -33.2 28.1 -3.3 29.5 11 9 A N S S- 0 0 87 109,-0.6 -1,-0.2 105,-0.2 2,-0.2 -0.935 86.2 -95.9-137.0 164.6 29.3 -2.1 33.0 12 10 A I - 0 0 59 -2,-0.3 2,-0.4 19,-0.1 19,-0.2 -0.525 40.3-164.5 -76.4 143.3 28.0 -0.1 35.9 13 11 A I E -B 30 0B 33 17,-1.9 17,-2.9 -2,-0.2 2,-0.4 -0.977 2.4-153.7-137.7 146.6 29.2 3.5 35.9 14 12 A R E +B 29 0B 115 -2,-0.4 2,-0.3 15,-0.2 15,-0.2 -0.936 13.3 173.7-119.4 144.3 29.1 6.1 38.7 15 13 A A E -B 28 0B 12 13,-2.5 13,-3.2 -2,-0.4 2,-0.3 -0.961 12.6-156.1-147.0 154.6 29.0 9.9 38.8 16 14 A T E +B 27 0B 79 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.973 31.0 122.9-131.7 147.4 28.6 12.5 41.5 17 15 A G E -B 26 0B 18 9,-2.1 9,-2.5 -2,-0.3 2,-0.3 -0.914 49.8 -81.5-171.7-158.5 27.4 16.0 41.3 18 16 A V E -B 25 0B 57 -2,-0.3 86,-2.7 7,-0.2 87,-0.3 -0.953 37.6-108.4-130.3 146.6 24.8 18.6 42.5 19 17 A G > - 0 0 0 5,-2.1 4,-1.9 -2,-0.3 191,-0.1 -0.577 20.4-142.9 -71.8 132.6 21.2 19.2 41.6 20 18 A L T 4 S+ 0 0 23 82,-0.5 190,-2.3 -2,-0.3 191,-0.8 0.919 100.1 29.8 -59.4 -45.2 20.7 22.5 39.6 21 19 A H T 4 S+ 0 0 31 188,-0.2 188,-1.9 187,-0.2 -1,-0.1 0.921 129.4 35.7 -87.1 -43.0 17.5 23.3 41.3 22 20 A S T 4 S- 0 0 30 186,-0.2 -2,-0.2 187,-0.1 -1,-0.1 0.715 86.5-141.1 -82.2 -25.9 17.9 21.7 44.8 23 21 A G < + 0 0 32 -4,-1.9 2,-0.3 1,-0.2 -3,-0.1 0.506 53.6 143.5 72.6 7.4 21.7 22.4 45.2 24 22 A E - 0 0 102 1,-0.1 -5,-2.1 -6,-0.1 -1,-0.2 -0.587 56.6-115.5 -85.8 143.1 21.9 18.9 46.9 25 23 A K E -B 18 0B 81 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.2 -0.428 40.8-172.6 -69.6 137.9 24.9 16.5 46.5 26 24 A V E -B 17 0B 0 -9,-2.5 -9,-2.1 -2,-0.1 2,-0.5 -1.000 23.4-143.4-142.9 140.1 23.8 13.4 44.6 27 25 A Y E -B 16 0B 32 -2,-0.3 71,-1.8 -11,-0.2 2,-0.4 -0.904 20.4-161.3-100.8 129.6 25.4 10.0 43.7 28 26 A L E -BC 15 97B 2 -13,-3.2 -13,-2.5 -2,-0.5 2,-0.4 -0.953 9.5-177.9-115.9 129.0 24.3 8.7 40.4 29 27 A T E -BC 14 96B 2 67,-2.5 67,-3.6 -2,-0.4 2,-0.5 -0.995 9.3-161.4-129.7 123.5 24.7 5.0 39.4 30 28 A L E -BC 13 95B 3 -17,-2.9 -17,-1.9 -2,-0.4 65,-0.2 -0.922 18.1-176.6-103.9 125.2 23.8 3.7 35.9 31 29 A K E - C 0 94B 67 63,-2.9 63,-2.5 -2,-0.5 -22,-0.1 -0.929 30.2-100.8-124.1 150.1 23.3 -0.1 35.8 32 30 A P - 0 0 51 0, 0.0 61,-0.2 0, 0.0 -22,-0.1 -0.231 40.6-166.7 -59.2 152.4 22.5 -2.7 33.1 33 31 A A - 0 0 7 59,-0.4 59,-0.1 -24,-0.1 3,-0.1 -0.981 22.5 -94.3-143.2 152.8 18.9 -3.8 32.9 34 32 A P > - 0 0 70 0, 0.0 3,-1.6 0, 0.0 4,-0.3 -0.113 56.7 -71.2 -66.1 165.2 17.0 -6.7 31.2 35 33 A V T 3 S+ 0 0 51 1,-0.2 -27,-0.0 2,-0.1 945,-0.0 -0.202 119.1 14.8 -51.0 143.6 15.3 -6.6 27.7 36 34 A D T 3 S+ 0 0 98 -3,-0.1 -1,-0.2 1,-0.1 56,-0.0 0.561 90.2 115.3 61.1 19.5 12.1 -4.5 27.7 37 35 A T < - 0 0 40 -3,-1.6 -2,-0.1 1,-0.2 55,-0.1 0.868 57.4-163.4 -76.4 -39.2 12.8 -2.8 31.1 38 36 A G - 0 0 18 -4,-0.3 55,-2.2 -5,-0.1 2,-0.5 -0.397 46.0 -38.6 78.3-163.8 13.1 0.7 29.5 39 37 A I E -d 93 0B 14 15,-0.3 15,-3.2 53,-0.2 2,-0.5 -0.853 66.8-174.2 -95.2 123.6 14.9 3.4 31.6 40 38 A V E -dE 94 53B 9 53,-2.6 55,-2.9 -2,-0.5 2,-0.3 -0.981 14.0-149.2-125.7 123.8 13.9 3.2 35.3 41 39 A F E -dE 95 52B 0 11,-2.7 11,-3.3 -2,-0.5 2,-0.4 -0.640 13.6-163.2 -85.2 145.0 14.9 5.7 37.9 42 40 A S E -dE 96 51B 5 53,-2.8 55,-3.0 -2,-0.3 2,-1.2 -0.985 16.3-148.6-134.9 119.8 15.5 4.4 41.4 43 41 A R E > +dE 97 50B 24 7,-2.7 7,-1.1 -2,-0.4 3,-1.0 -0.771 21.0 177.2 -85.9 92.5 15.6 6.5 44.6 44 42 A T T 3 S+ 0 0 51 53,-1.6 54,-0.2 -2,-1.2 -1,-0.2 0.493 70.8 70.4 -80.5 -3.9 18.0 4.3 46.7 45 43 A D T 3 S+ 0 0 77 52,-0.7 -1,-0.2 5,-0.1 2,-0.2 0.600 89.3 82.7 -81.0 -15.0 18.0 6.8 49.6 46 44 A L S < S- 0 0 56 -3,-1.0 4,-0.0 4,-0.1 53,-0.0 -0.609 82.8-111.1 -96.9 155.1 14.4 5.8 50.4 47 45 A D S S+ 0 0 152 -2,-0.2 2,-0.2 1,-0.1 -3,-0.0 -0.978 110.8 25.1-125.9 112.1 13.0 2.8 52.4 48 46 A P S S- 0 0 100 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 0.641 111.2-111.4 -73.2 165.6 11.6 0.9 50.6 49 47 A V - 0 0 78 -2,-0.2 2,-0.5 -5,-0.1 -5,-0.2 -0.402 31.7-140.8 -60.2 137.0 13.5 1.9 47.4 50 48 A V E -E 43 0B 29 -7,-1.1 -7,-2.7 -2,-0.1 2,-0.4 -0.947 11.5-158.2-111.7 123.0 11.1 3.6 45.0 51 49 A E E -E 42 0B 88 -2,-0.5 -9,-0.2 -9,-0.2 45,-0.0 -0.839 7.9-174.4 -98.7 136.0 11.3 2.9 41.2 52 50 A I E -E 41 0B 0 -11,-3.3 -11,-2.7 -2,-0.4 18,-0.1 -0.914 19.9-138.6-130.7 108.1 10.0 5.3 38.7 53 51 A P E -E 40 0B 46 0, 0.0 2,-2.0 0, 0.0 -13,-0.3 -0.352 26.0-116.8 -62.8 139.2 10.0 4.3 35.0 54 52 A A + 0 0 6 -15,-3.2 2,-0.3 14,-0.1 -15,-0.3 -0.569 68.9 134.5 -80.3 77.9 11.1 7.2 32.7 55 53 A R > - 0 0 105 -2,-2.0 3,-2.2 1,-0.1 4,-0.2 -0.939 69.6-114.7-131.5 150.0 7.7 7.3 30.9 56 54 A A G > S+ 0 0 3 194,-2.1 3,-1.8 -2,-0.3 195,-0.1 0.838 113.1 62.8 -52.6 -36.9 5.4 10.2 29.9 57 55 A E G 3 S+ 0 0 138 1,-0.3 -1,-0.3 193,-0.2 -3,-0.1 0.672 101.2 52.8 -64.7 -18.0 2.7 8.9 32.3 58 56 A N G < S+ 0 0 34 -3,-2.2 11,-3.2 -5,-0.1 2,-0.4 0.319 76.6 118.7-101.3 6.1 5.0 9.6 35.3 59 57 A V E < +F 68 0C 12 -3,-1.8 9,-0.3 9,-0.2 3,-0.1 -0.631 31.1 166.2 -74.8 127.4 5.8 13.2 34.4 60 58 A G E + 0 0 50 7,-2.8 2,-0.3 -2,-0.4 8,-0.2 0.723 57.9 23.4-113.2 -37.5 4.6 15.4 37.4 61 59 A E E +F 67 0C 87 6,-0.9 6,-2.4 4,-0.0 -1,-0.4 -0.987 47.6 179.1-132.3 139.9 6.1 18.9 37.1 62 60 A T + 0 0 38 -2,-0.3 2,-0.7 4,-0.2 205,-0.5 0.093 39.2 124.7-130.1 25.4 7.3 20.6 34.0 63 61 A T S S- 0 0 92 1,-0.1 2,-1.3 203,-0.1 -2,-0.0 -0.805 96.4 -25.6 -94.2 113.7 8.4 24.1 35.4 64 62 A M S S+ 0 0 92 -2,-0.7 2,-0.3 13,-0.0 -1,-0.1 -0.257 138.2 25.5 76.5 -36.3 12.0 24.7 34.4 65 63 A S S S- 0 0 1 -2,-1.3 2,-0.6 200,-0.0 -4,-0.0 -0.895 88.3 -97.0-143.2 168.9 12.9 20.9 34.2 66 64 A T - 0 0 1 -2,-0.3 12,-2.1 -4,-0.1 11,-0.6 -0.837 41.4-167.1 -90.5 125.8 11.1 17.6 33.6 67 65 A T E -FG 61 76C 2 -6,-2.4 -7,-2.8 -2,-0.6 -6,-0.9 -0.953 11.0-149.4-114.9 132.9 10.2 15.9 36.9 68 66 A L E -FG 59 75C 0 7,-2.8 7,-2.5 -2,-0.4 2,-0.3 -0.764 20.5-169.1 -94.6 144.1 9.1 12.3 37.3 69 67 A V E + G 0 74C 38 -11,-3.2 2,-0.3 -2,-0.3 5,-0.2 -0.978 23.5 176.7-138.4 146.4 6.7 11.5 40.1 70 68 A K E > S- G 0 73C 114 3,-2.3 3,-2.3 -2,-0.3 2,-0.2 -0.880 76.9 -46.4-146.1 104.8 5.3 8.4 41.9 71 69 A G T 3 S- 0 0 79 -2,-0.3 -1,-0.0 1,-0.3 0, 0.0 -0.462 123.8 -25.6 68.4-123.6 3.2 9.3 44.8 72 70 A D T 3 S+ 0 0 155 -2,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.428 116.4 106.7 -98.1 0.6 5.1 11.9 46.8 73 71 A V E < -G 70 0C 17 -3,-2.3 -3,-2.3 2,-0.0 2,-0.3 -0.698 51.5-170.7 -87.4 127.0 8.5 10.6 45.4 74 72 A K E -G 69 0C 94 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.868 24.9-167.2-120.0 152.0 10.2 12.8 42.8 75 73 A V E -G 68 0C 0 -7,-2.5 -7,-2.8 -2,-0.3 3,-0.3 -0.944 27.4-161.1-130.4 106.5 13.1 12.6 40.4 76 74 A D E +Gh 67 101C 25 24,-2.7 26,-2.4 -2,-0.4 -9,-0.2 -0.622 57.4 18.1 -94.3 156.8 13.8 16.1 39.0 77 75 A T + 0 0 4 -11,-0.6 4,-0.3 -2,-0.2 3,-0.3 0.933 64.7 152.6 59.3 59.0 15.8 17.3 35.9 78 76 A V > + 0 0 0 -12,-2.1 4,-2.4 -3,-0.3 5,-0.2 0.647 45.7 89.4 -88.5 -13.4 15.8 14.0 34.0 79 77 A E H > S+ 0 0 5 -13,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.753 84.3 46.6 -60.5 -37.9 16.0 15.6 30.5 80 78 A H H > S+ 0 0 6 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.905 115.4 45.4 -76.8 -36.7 19.8 15.8 30.0 81 79 A L H > S+ 0 0 0 -4,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.932 114.6 48.8 -69.1 -40.9 20.5 12.3 31.1 82 80 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.844 108.0 55.4 -65.9 -32.9 17.6 10.9 29.0 83 81 A S H X S+ 0 0 0 -4,-1.7 4,-2.9 -5,-0.2 -1,-0.2 0.931 108.4 48.0 -64.1 -41.6 18.9 12.9 26.0 84 82 A A H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.920 112.5 49.1 -62.2 -44.3 22.3 11.2 26.4 85 83 A M H X>S+ 0 0 0 -4,-2.2 5,-2.8 1,-0.2 4,-0.7 0.920 114.3 45.1 -60.7 -44.4 20.5 7.8 26.7 86 84 A A H ><5S+ 0 0 14 -4,-2.6 3,-0.8 1,-0.2 -2,-0.2 0.923 110.6 53.9 -67.7 -42.6 18.5 8.5 23.5 87 85 A G H 3<5S+ 0 0 21 -4,-2.9 -1,-0.2 1,-0.3 96,-0.2 0.824 115.0 39.9 -59.2 -36.5 21.5 9.8 21.6 88 86 A L H 3<5S- 0 0 3 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.460 113.2-116.6 -95.1 -3.2 23.4 6.6 22.3 89 87 A G T <<5 + 0 0 0 -3,-0.8 2,-0.6 -4,-0.7 -82,-0.3 0.804 50.1 167.7 72.4 34.9 20.4 4.3 21.8 90 88 A I < + 0 0 0 -5,-2.8 -1,-0.2 1,-0.2 -82,-0.2 -0.728 8.7 173.7 -82.8 118.1 20.2 2.9 25.3 91 89 A D + 0 0 7 -84,-1.9 2,-0.4 -2,-0.6 -83,-0.2 0.844 63.0 36.8 -87.7 -43.4 16.9 1.0 25.7 92 90 A N + 0 0 2 -85,-2.1 -59,-0.4 -59,-0.1 -83,-0.4 -0.963 68.5 130.6-124.6 129.9 17.3 -0.6 29.1 93 91 A A E - d 0 39B 0 -55,-2.2 -53,-2.6 -2,-0.4 2,-0.4 -0.927 43.7-129.5-170.0 149.5 18.9 0.8 32.2 94 92 A Y E -Cd 31 40B 64 -63,-2.5 -63,-2.9 -2,-0.3 2,-0.6 -0.892 20.0-161.1-100.7 131.7 18.6 1.4 35.9 95 93 A V E -Cd 30 41B 0 -55,-2.9 -53,-2.8 -2,-0.4 2,-0.4 -0.923 9.3-163.8-115.4 100.3 19.4 4.9 37.1 96 94 A E E -Cd 29 42B 34 -67,-3.6 -67,-2.5 -2,-0.6 2,-0.4 -0.756 7.8-174.9 -90.3 135.1 20.0 4.9 40.8 97 95 A L E -Cd 28 43B 0 -55,-3.0 -53,-1.6 -2,-0.4 -52,-0.7 -0.990 27.2-156.3-129.2 139.7 20.0 8.3 42.7 98 96 A S S S+ 0 0 39 -71,-1.8 2,-0.3 -2,-0.4 -70,-0.1 0.328 84.2 28.5 -89.9 2.9 20.8 9.1 46.3 99 97 A A S S- 0 0 7 -72,-0.2 -55,-0.1 2,-0.1 -73,-0.1 -0.947 93.6 -90.5-155.3 172.8 18.6 12.3 46.1 100 98 A S S S+ 0 0 38 -2,-0.3 -24,-2.7 -25,-0.1 2,-0.3 0.161 100.7 56.9 -77.2 8.0 15.6 13.8 44.3 101 99 A E B S-h 76 0C 2 -26,-0.2 -24,-0.2 -77,-0.1 -3,-0.1 -0.959 79.6-120.1-146.5 135.9 17.5 15.4 41.4 102 100 A V - 0 0 3 -26,-2.4 -82,-0.5 -2,-0.3 -84,-0.1 -0.412 49.1 -98.3 -65.5 138.1 19.8 14.1 38.6 103 101 A P - 0 0 2 0, 0.0 -84,-0.2 0, 0.0 -1,-0.1 -0.385 22.9-141.7 -62.9 141.9 23.2 15.9 38.9 104 102 A I > - 0 0 2 -86,-2.7 3,-2.6 1,-0.2 4,-0.2 0.712 29.5-178.7 -77.5 -22.1 23.5 18.9 36.5 105 103 A M T 3 S- 0 0 52 -87,-0.3 -1,-0.2 1,-0.3 -87,-0.1 -0.391 73.4 -20.0 58.9-122.2 27.3 18.1 35.8 106 104 A D T 3 S- 0 0 33 2,-0.2 -1,-0.3 -2,-0.1 3,-0.1 0.305 99.1 -99.3-100.5 12.0 28.4 20.8 33.3 107 105 A G S < S+ 0 0 0 -3,-2.6 85,-1.6 1,-0.4 2,-0.2 0.324 98.2 80.6 87.9 -1.6 24.8 21.6 32.2 108 106 A S S S- 0 0 0 83,-0.2 -1,-0.4 -4,-0.2 4,-0.2 -0.501 90.1-108.5-118.4-172.9 25.0 19.5 29.0 109 107 A A S > S+ 0 0 0 79,-2.1 4,-2.7 81,-0.3 5,-0.2 0.473 92.3 98.5 -95.5 -2.6 24.7 15.9 28.1 110 108 A G H > S+ 0 0 13 78,-1.3 4,-2.6 1,-0.2 5,-0.2 0.915 80.8 46.3 -50.8 -57.4 28.5 15.7 27.4 111 109 A P H > S+ 0 0 31 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.894 114.6 49.7 -58.3 -35.2 29.6 14.1 30.8 112 110 A F H > S+ 0 0 2 -4,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.931 110.2 48.5 -70.5 -45.2 26.7 11.6 30.5 113 111 A V H X S+ 0 0 9 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.917 114.6 47.2 -59.8 -42.1 27.6 10.5 26.9 114 112 A F H X S+ 0 0 143 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.925 112.1 48.6 -66.6 -43.0 31.2 10.1 27.9 115 113 A L H X S+ 0 0 33 -4,-2.5 4,-1.7 -5,-0.2 -2,-0.2 0.937 114.4 47.0 -61.2 -44.4 30.4 8.1 31.1 116 114 A I H X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 3,-0.3 0.953 114.2 45.4 -61.5 -51.2 28.1 5.8 29.2 117 115 A Q H < S+ 0 0 66 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.793 109.0 57.4 -67.5 -24.0 30.6 5.2 26.3 118 116 A S H < S+ 0 0 64 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.882 110.7 43.0 -69.0 -40.1 33.4 4.7 28.9 119 117 A A H < S- 0 0 7 -4,-1.7 -2,-0.2 -3,-0.3 -1,-0.2 0.788 114.2-136.3 -70.9 -32.6 31.3 1.8 30.4 120 118 A G < - 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