==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 30-SEP-11 3U1Y . COMPND 2 MOLECULE: UDP-3-O-[3-HYDROXYMYRISTOYL] N-ACETYLGLUCOSAMINE . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR M.BROWN,J.ABRAMITE,S.LIU . 598 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27124.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 395 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 7.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 120 20.1 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 . 6 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 . 47 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 15.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 1 1 0 0 2 2 0 0 2 2 0 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 2 4 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 6 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 1 A M 0 0 68 0, 0.0 2,-0.8 0, 0.0 286,-0.2 0.000 360.0 360.0 360.0 145.5 12.9 -1.6 66.7 2 2 A I - 0 0 15 284,-2.5 124,-2.9 124,-0.1 284,-0.3 -0.829 360.0-155.1 -92.5 112.0 12.9 -0.8 63.0 3 3 A K E -A 125 0A 50 -2,-0.8 122,-0.2 122,-0.3 120,-0.1 -0.537 17.1-102.9 -90.3 156.5 13.3 3.0 63.0 4 4 A Q E -A 122 0A 7 120,-2.4 118,-3.0 118,-0.5 2,-0.4 -0.375 41.3-147.5 -69.5 152.0 12.4 5.7 60.5 5 5 A R E +A 121 0A 13 82,-0.3 84,-2.2 116,-0.2 85,-2.0 -0.978 22.6 169.3-130.0 144.8 15.3 7.0 58.5 6 6 A T E -A 120 0A 6 114,-2.4 114,-3.1 -2,-0.4 2,-0.2 -0.725 47.6 -71.7-131.1-176.2 16.2 10.4 56.9 7 7 A L E -A 119 0A 2 83,-0.4 112,-0.3 112,-0.2 24,-0.1 -0.550 27.8-145.9 -81.3 147.1 19.5 11.7 55.3 8 8 A K S S+ 0 0 118 110,-2.7 2,-0.3 106,-0.2 111,-0.1 0.841 83.4 7.1 -78.4 -35.2 22.5 12.5 57.6 9 9 A N S S- 0 0 87 109,-0.5 -1,-0.2 105,-0.2 2,-0.1 -0.901 92.3 -80.9-140.1 168.4 23.5 15.4 55.3 10 10 A I - 0 0 75 -2,-0.3 2,-0.4 19,-0.1 19,-0.2 -0.464 41.2-154.0 -72.7 141.1 22.3 17.4 52.3 11 11 A I E -B 28 0B 7 17,-2.4 17,-3.1 -2,-0.1 2,-0.3 -0.987 7.9-166.3-118.8 130.1 22.9 15.7 48.9 12 12 A R E +B 27 0B 163 -2,-0.4 2,-0.3 15,-0.2 15,-0.2 -0.920 12.8 164.4-118.7 142.2 23.3 17.7 45.6 13 13 A A E -B 26 0B 11 13,-2.3 13,-3.3 -2,-0.3 2,-0.3 -0.970 17.5-154.9-149.2 158.7 23.2 16.4 42.0 14 14 A T E +B 25 0B 54 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.948 30.0 121.1-135.0 152.6 22.8 17.7 38.5 15 15 A G E -B 24 0B 17 9,-1.7 9,-2.6 -2,-0.3 2,-0.3 -0.930 51.3 -79.8-177.5-161.1 21.5 16.1 35.2 16 16 A V E -B 23 0B 53 -2,-0.3 86,-2.9 7,-0.2 2,-0.4 -0.918 40.3-106.4-125.0 152.0 18.9 16.3 32.4 17 17 A G B > -F 101 0C 0 5,-2.0 4,-2.1 -2,-0.3 191,-0.2 -0.643 23.7-140.2 -76.5 130.7 15.3 15.2 32.3 18 18 A L T 4 S+ 0 0 16 82,-0.5 190,-2.9 -2,-0.4 191,-0.7 0.922 100.3 30.6 -54.7 -48.3 15.0 12.1 30.2 19 19 A H T 4 S+ 0 0 7 187,-0.3 188,-1.6 188,-0.2 -1,-0.2 0.893 129.1 35.1 -83.7 -42.1 11.7 13.3 28.6 20 20 A S T 4 S- 0 0 26 187,-0.1 -2,-0.2 186,-0.1 -1,-0.1 0.737 87.9-141.1 -83.1 -29.6 12.1 17.1 28.6 21 21 A G < + 0 0 4 -4,-2.1 2,-0.2 1,-0.3 -3,-0.1 0.497 52.8 143.9 78.3 4.4 15.9 17.2 28.0 22 22 A E - 0 0 49 1,-0.1 -5,-2.0 -6,-0.1 -1,-0.3 -0.573 56.6-113.5 -81.9 142.3 16.1 20.1 30.4 23 23 A K E -B 16 0B 115 -2,-0.2 2,-0.3 -7,-0.2 -7,-0.2 -0.474 40.9-173.1 -69.2 135.6 19.0 20.7 32.8 24 24 A V E -B 15 0B 0 -9,-2.6 -9,-1.7 -2,-0.2 2,-0.5 -0.994 21.7-146.4-139.1 140.6 17.9 20.3 36.5 25 25 A Y E -B 14 0B 116 -2,-0.3 71,-1.7 -11,-0.2 2,-0.4 -0.926 21.4-162.5-106.0 128.4 19.6 20.8 39.9 26 26 A L E -BC 13 95B 1 -13,-3.3 -13,-2.3 -2,-0.5 2,-0.4 -0.954 9.9-174.6-117.9 136.4 18.5 18.4 42.6 27 27 A T E -BC 12 94B 23 67,-2.4 67,-2.9 -2,-0.4 2,-0.5 -0.998 8.7-160.2-130.1 128.2 18.9 18.7 46.4 28 28 A L E -BC 11 93B 2 -17,-3.1 -17,-2.4 -2,-0.4 65,-0.2 -0.959 18.4-175.6-107.7 124.4 18.0 16.0 48.9 29 29 A K E - C 0 92B 63 63,-2.7 63,-2.5 -2,-0.5 -22,-0.1 -0.938 29.8-104.0-121.3 146.7 17.5 17.3 52.5 30 30 A P E - C 0 91B 53 0, 0.0 61,-0.2 0, 0.0 -22,-0.1 -0.218 39.6-163.4 -58.2 156.4 16.8 15.6 55.8 31 31 A A - 0 0 6 59,-0.5 59,-0.1 60,-0.1 3,-0.1 -0.981 21.8 -95.9-142.2 152.5 13.1 15.9 57.0 32 32 A P > - 0 0 79 0, 0.0 3,-1.4 0, 0.0 4,-0.3 -0.141 58.0 -71.6 -64.6 166.2 11.4 15.3 60.4 33 33 A V T 3 S+ 0 0 61 1,-0.2 -27,-0.0 2,-0.1 90,-0.0 -0.202 119.4 16.7 -54.2 144.9 9.6 12.0 61.4 34 34 A D T 3 S+ 0 0 102 -3,-0.1 -1,-0.2 1,-0.1 56,-0.0 0.608 89.7 114.5 62.5 18.5 6.3 11.3 59.6 35 35 A T < - 0 0 38 -3,-1.4 -2,-0.1 1,-0.1 55,-0.1 0.866 57.7-162.7 -77.6 -40.0 7.1 13.9 56.8 36 36 A G - 0 0 20 -4,-0.3 55,-2.0 -5,-0.1 2,-0.6 -0.382 45.3 -41.2 80.2-167.7 7.3 11.2 54.1 37 37 A I E -d 91 0B 14 15,-0.3 15,-3.0 53,-0.2 2,-0.5 -0.861 64.6-172.5 -96.8 122.0 9.1 12.1 50.8 38 38 A V E -dE 92 51B 13 53,-2.3 55,-3.1 -2,-0.6 2,-0.3 -0.971 12.2-148.9-122.1 121.6 8.1 15.6 49.6 39 39 A F E -dE 93 50B 0 11,-2.5 11,-3.3 -2,-0.5 2,-0.4 -0.663 14.6-164.0 -85.0 144.6 9.1 17.0 46.2 40 40 A S E -dE 94 49B 3 53,-2.9 55,-2.8 -2,-0.3 2,-1.0 -0.989 18.4-148.6-137.0 124.7 9.6 20.7 45.9 41 41 A R E > +dE 95 48B 24 7,-2.7 7,-1.3 -2,-0.4 3,-0.7 -0.811 22.4 174.5 -91.2 96.6 9.8 22.9 42.8 42 42 A T T 3 + 0 0 58 53,-1.8 54,-0.2 -2,-1.0 -1,-0.2 0.497 69.2 71.6 -85.0 -6.3 12.2 25.6 44.0 43 43 A D T 3 S+ 0 0 73 52,-0.7 2,-0.3 5,-0.1 -1,-0.2 0.567 88.8 82.7 -80.5 -14.3 12.4 27.4 40.5 44 44 A L S < S- 0 0 54 -3,-0.7 53,-0.0 4,-0.1 4,-0.0 -0.669 83.4-117.7 -96.1 149.2 8.8 28.6 41.2 45 45 A D S S+ 0 0 167 -2,-0.3 2,-0.1 1,-0.2 -3,-0.1 -0.954 110.4 29.9-126.8 106.1 7.7 31.7 43.2 46 46 A P S S- 0 0 102 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 0.545 110.7-117.2 -71.8 158.2 6.0 30.6 45.5 47 47 A V - 0 0 76 -2,-0.1 2,-0.5 -5,-0.1 -5,-0.2 -0.416 26.7-138.2 -62.8 135.1 7.8 27.3 45.8 48 48 A V E -E 41 0B 29 -7,-1.3 -7,-2.7 -2,-0.1 2,-0.4 -0.904 14.0-158.6-103.7 123.0 5.3 24.3 45.1 49 49 A E E -E 40 0B 91 -2,-0.5 -9,-0.2 -9,-0.2 45,-0.0 -0.848 9.2-176.7-102.9 133.2 5.5 21.2 47.3 50 50 A I E -E 39 0B 1 -11,-3.3 -11,-2.5 -2,-0.4 16,-0.1 -0.920 21.1-138.0-129.3 107.4 4.1 17.8 46.2 51 51 A P E -E 38 0B 53 0, 0.0 2,-1.9 0, 0.0 -13,-0.3 -0.347 27.5-116.7 -62.5 139.4 4.1 14.8 48.6 52 52 A A + 0 0 7 -15,-3.0 2,-0.3 14,-0.1 -15,-0.3 -0.622 68.7 134.9 -77.9 77.0 5.2 11.6 46.8 53 53 A R > - 0 0 109 -2,-1.9 3,-2.3 1,-0.1 4,-0.3 -0.958 69.5-113.9-132.2 149.3 1.9 9.9 47.3 54 54 A A G > S+ 0 0 3 194,-2.0 3,-1.5 -2,-0.3 195,-0.1 0.814 114.1 62.7 -49.3 -38.0 -0.4 7.8 44.9 55 55 A E G 3 S+ 0 0 136 1,-0.3 -1,-0.3 193,-0.2 -3,-0.1 0.625 100.4 54.4 -64.9 -17.3 -3.2 10.5 45.2 56 56 A N G < S+ 0 0 34 -3,-2.3 11,-3.0 192,-0.1 2,-0.5 0.403 76.4 113.6-100.2 3.3 -0.7 13.1 43.5 57 57 A V E < +G 66 0D 12 -3,-1.5 9,-0.3 -4,-0.3 3,-0.1 -0.645 33.7 166.7 -76.7 117.1 0.0 11.0 40.4 58 58 A G E + 0 0 49 7,-2.5 2,-0.3 -2,-0.5 8,-0.2 0.604 59.6 24.3-107.3 -22.2 -1.4 12.9 37.5 59 59 A E E +G 65 0D 90 6,-1.2 6,-2.4 1,-0.0 -1,-0.3 -0.987 43.6 177.0-145.8 144.5 0.1 11.2 34.4 60 60 A T + 0 0 39 -2,-0.3 205,-0.5 4,-0.2 4,-0.1 -0.114 39.7 127.6-137.4 35.0 1.5 7.7 33.7 61 61 A T S S- 0 0 109 1,-0.2 204,-0.1 203,-0.1 3,-0.1 0.969 97.0 -23.7 -60.4 -65.0 2.4 8.0 29.9 62 62 A M S S+ 0 0 91 1,-0.1 2,-0.3 202,-0.1 -1,-0.2 -0.073 137.2 16.4-142.4 34.1 6.0 6.9 29.9 63 63 A S S S- 0 0 3 2,-0.0 2,-0.6 14,-0.0 -1,-0.1 -0.900 91.6 -85.4 176.1 172.5 7.1 7.7 33.5 64 64 A T - 0 0 2 -2,-0.3 12,-1.7 -4,-0.1 2,-0.5 -0.928 45.4-164.7-101.9 124.1 5.3 8.4 36.8 65 65 A T E -G 59 0D 2 -6,-2.4 -7,-2.5 -2,-0.6 -6,-1.2 -0.958 12.6-148.1-115.9 129.5 4.4 12.1 37.1 66 66 A L E -GH 57 73D 0 7,-3.1 7,-2.4 -2,-0.5 2,-0.4 -0.694 23.0-168.5 -89.5 136.7 3.3 14.0 40.2 67 67 A V E + H 0 72D 39 -11,-3.0 2,-0.3 -2,-0.3 5,-0.2 -0.995 23.5 174.5-134.9 137.8 0.9 16.8 39.5 68 68 A K E > S- H 0 71D 112 3,-2.5 3,-2.1 -2,-0.4 2,-0.4 -0.868 74.7 -54.1-141.2 98.5 -0.5 19.8 41.7 69 69 A G T 3 S- 0 0 74 -2,-0.3 0, 0.0 1,-0.3 0, 0.0 -0.511 122.0 -20.4 67.6-118.5 -2.7 22.0 39.5 70 70 A D T 3 S+ 0 0 166 -2,-0.4 2,-0.4 -3,-0.1 -1,-0.3 0.372 119.0 100.6 -99.0 -0.3 -0.5 23.0 36.5 71 71 A V E < -H 68 0D 28 -3,-2.1 -3,-2.5 2,-0.0 2,-0.3 -0.750 53.7-172.7 -91.9 130.1 2.7 22.1 38.3 72 72 A K E -H 67 0D 71 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.908 27.2-164.0-127.5 154.1 4.4 18.8 37.6 73 73 A V E -H 66 0D 0 -7,-2.4 -7,-3.1 -2,-0.3 3,-0.3 -0.944 29.5-163.1-129.8 102.5 7.3 16.7 38.8 74 74 A D B +i 99 0E 8 24,-2.8 26,-2.5 -2,-0.4 -9,-0.2 -0.566 57.1 18.3 -92.1 154.1 8.0 14.1 36.1 75 75 A T + 0 0 4 -11,-0.4 4,-0.4 -2,-0.2 3,-0.3 0.905 63.8 152.2 56.5 56.5 10.0 10.8 36.2 76 76 A V > + 0 0 0 -12,-1.7 4,-2.6 -3,-0.3 5,-0.2 0.653 47.3 89.7 -84.0 -19.0 10.0 10.2 40.0 77 77 A E H > S+ 0 0 6 -13,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.783 85.2 46.4 -53.5 -40.5 10.2 6.4 39.8 78 78 A H H > S+ 0 0 6 -3,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.921 115.9 43.8 -75.1 -39.8 14.1 5.9 39.7 79 79 A L H > S+ 0 0 0 -4,-0.4 4,-2.2 1,-0.2 -2,-0.2 0.926 115.0 50.5 -67.0 -43.4 14.8 8.3 42.6 80 80 A L H X S+ 0 0 1 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.843 107.2 54.3 -63.4 -33.2 11.8 6.8 44.6 81 81 A S H X S+ 0 0 0 -4,-1.7 4,-2.8 -5,-0.2 -1,-0.2 0.923 108.7 48.6 -65.4 -43.3 13.2 3.3 43.9 82 82 A A H X S+ 0 0 0 -4,-1.8 4,-1.5 1,-0.2 -2,-0.2 0.899 113.2 47.6 -59.8 -44.3 16.6 4.3 45.4 83 83 A M H <>S+ 0 0 0 -4,-2.2 5,-2.7 2,-0.2 4,-0.4 0.881 113.9 46.2 -67.1 -40.0 14.9 5.8 48.5 84 84 A A H ><5S+ 0 0 13 -4,-2.3 3,-0.9 3,-0.2 -2,-0.2 0.919 111.4 52.9 -65.3 -45.3 12.7 2.7 49.0 85 85 A G H 3<5S+ 0 0 19 -4,-2.8 96,-0.2 1,-0.3 -2,-0.2 0.794 113.8 41.8 -62.7 -31.6 15.7 0.4 48.5 86 86 A L T 3<5S- 0 0 4 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.429 113.6-116.0 -95.8 -2.5 17.7 2.2 51.2 87 87 A G T < 5 + 0 0 0 -3,-0.9 2,-0.6 -4,-0.4 -82,-0.3 0.779 52.1 165.2 73.5 30.8 14.7 2.6 53.6 88 88 A I < + 0 0 0 -5,-2.7 -1,-0.2 1,-0.2 -82,-0.2 -0.710 8.0 171.0 -80.6 118.8 14.5 6.4 53.5 89 89 A D + 0 0 13 -84,-2.2 2,-0.4 -2,-0.6 -83,-0.2 0.815 61.8 39.2 -91.2 -42.6 11.2 7.4 55.0 90 90 A N + 0 0 2 -85,-2.0 -59,-0.5 -59,-0.1 -83,-0.4 -0.978 68.0 127.5-123.4 127.3 11.5 11.2 55.3 91 91 A A E -Cd 30 37B 0 -55,-2.0 -53,-2.3 -2,-0.4 2,-0.5 -0.945 46.0-127.1-169.4 152.4 13.2 13.7 52.9 92 92 A Y E -Cd 29 38B 71 -63,-2.5 -63,-2.7 -2,-0.3 2,-0.7 -0.936 21.6-160.1-105.9 127.4 12.7 16.9 51.0 93 93 A V E -Cd 28 39B 0 -55,-3.1 -53,-2.9 -2,-0.5 2,-0.4 -0.915 9.0-166.2-110.4 100.7 13.5 16.6 47.3 94 94 A E E -Cd 27 40B 45 -67,-2.9 -67,-2.4 -2,-0.7 2,-0.3 -0.771 6.5-175.2 -91.9 133.3 14.2 20.0 45.8 95 95 A L E -Cd 26 41B 0 -55,-2.8 -53,-1.8 -2,-0.4 -52,-0.7 -0.992 26.3-154.2-129.4 138.5 14.2 20.4 42.0 96 96 A S S S+ 0 0 40 -71,-1.7 2,-0.3 -2,-0.3 -70,-0.1 0.340 83.6 27.1 -88.4 2.1 15.0 23.4 39.8 97 97 A A S S- 0 0 8 -72,-0.2 -55,-0.1 2,-0.1 -73,-0.1 -0.941 95.1 -87.2-156.0 171.9 12.8 22.1 36.9 98 98 A S S S+ 0 0 22 -2,-0.3 -24,-2.8 -25,-0.1 2,-0.3 0.275 101.1 57.3 -73.3 7.3 9.8 19.9 36.1 99 99 A E B S-i 74 0E 3 -26,-0.2 -24,-0.2 -77,-0.1 -3,-0.1 -0.981 79.7-118.8-147.0 135.0 11.7 16.6 35.9 100 100 A V - 0 0 2 -26,-2.5 -82,-0.5 -2,-0.3 -84,-0.1 -0.398 49.9 -98.6 -62.2 137.9 13.9 14.5 38.1 101 101 A P B -F 17 0C 2 0, 0.0 -84,-0.2 0, 0.0 -1,-0.1 -0.363 23.7-143.4 -62.3 139.5 17.4 14.1 36.4 102 102 A I > - 0 0 5 -86,-2.9 3,-2.0 1,-0.2 2,-0.1 0.744 28.2-178.9 -74.5 -26.4 17.8 10.7 34.6 103 103 A M T 3 S- 0 0 50 -87,-0.3 -1,-0.2 1,-0.3 -87,-0.1 -0.423 72.3 -19.4 60.7-126.1 21.6 10.3 35.6 104 104 A D T 3 S- 0 0 38 2,-0.2 -1,-0.3 -2,-0.1 3,-0.1 0.332 100.9 -98.6 -91.7 5.2 22.9 7.0 34.0 105 105 A G S < S+ 0 0 0 -3,-2.0 85,-1.7 1,-0.4 2,-0.2 0.327 98.7 78.5 94.3 -3.3 19.2 5.7 33.6 106 106 A S S S- 0 0 0 83,-0.2 -1,-0.4 -4,-0.1 4,-0.2 -0.486 90.9-106.2-118.3-171.2 19.3 3.5 36.7 107 107 A A S > S+ 0 0 0 79,-2.2 4,-2.6 81,-0.2 3,-0.2 0.534 94.2 97.3 -93.5 -8.9 19.0 4.1 40.6 108 108 A G H > S+ 0 0 14 78,-1.4 4,-2.6 1,-0.2 5,-0.2 0.880 80.8 46.1 -47.4 -56.9 22.8 3.5 41.0 109 109 A P H > S+ 0 0 29 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.886 114.8 49.1 -59.6 -36.8 24.0 7.2 41.0 110 110 A F H > S+ 0 0 2 -4,-0.2 4,-2.3 -3,-0.2 -2,-0.2 0.914 111.1 49.3 -66.2 -43.1 21.1 8.1 43.5 111 111 A V H X S+ 0 0 8 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.924 112.7 47.7 -62.7 -43.4 22.0 5.2 45.8 112 112 A F H X S+ 0 0 143 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.927 112.2 48.0 -63.2 -48.0 25.7 6.2 45.7 113 113 A L H X S+ 0 0 50 -4,-2.3 4,-1.3 2,-0.2 -1,-0.2 0.868 115.8 45.7 -60.7 -40.4 25.1 9.9 46.5 114 114 A I H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 3,-0.3 0.942 114.2 46.5 -67.9 -50.6 22.7 8.9 49.3 115 115 A Q H < S+ 0 0 67 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.776 108.1 57.8 -64.1 -26.6 25.1 6.3 50.8 116 116 A S H < S+ 0 0 77 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.882 112.6 40.5 -68.1 -40.4 28.0 8.8 50.5 117 117 A A H < S- 0 0 15 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.2 0.846 111.5-140.0 -73.7 -38.2 26.1 11.3 52.7 118 118 A G < - 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