==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 11-MAY-02 1LQP . COMPND 2 MOLECULE: PROBABLE FOSFOMYCIN RESISTANCE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR C.L.RIFE,R.E.PHARRIS,M.E.NEWCOMER,R.N.ARMSTRONG . 268 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12426.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 191 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 70 26.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 22 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 54 20.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.6 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 0 0 0 0 0 4 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 0 PARALLEL BRIDGES PER LADDER . 0 4 0 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 2 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 85 0, 0.0 204,-0.6 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 -74.9 51.9 13.2 17.1 2 2 A L E -A 204 0A 7 159,-0.5 202,-0.2 202,-0.1 176,-0.1 -0.594 360.0-155.4 -72.8 151.0 48.6 14.4 15.8 3 3 A T E - 0 0 88 200,-2.2 176,-0.3 1,-0.4 2,-0.3 0.528 43.4 -71.1-113.0 -12.1 49.0 16.0 12.5 4 4 A G E S- 0 0 6 199,-0.5 199,-1.6 174,-0.2 2,-0.6 -0.974 78.7 -25.1 149.2-167.4 46.2 18.4 11.9 5 5 A L E -A 202 0A 45 -2,-0.3 197,-0.3 172,-0.3 3,-0.1 -0.753 46.8-179.6 -81.0 126.0 42.5 18.4 11.2 6 6 A N E - 0 0 27 195,-2.9 40,-0.3 -2,-0.6 2,-0.3 0.887 63.7 -22.6 -89.9 -47.4 41.5 15.2 9.5 7 7 A H E -A 201 0A 8 194,-1.4 194,-2.7 38,-0.1 2,-0.4 -0.976 47.6-135.1-160.0 159.0 37.8 15.9 9.1 8 8 A L E -Ab 200 47A 4 38,-2.4 40,-2.8 -2,-0.3 2,-0.5 -0.992 23.1-163.1-112.5 124.5 34.9 18.0 10.4 9 9 A T E -Ab 199 48A 8 190,-2.8 190,-2.0 -2,-0.4 2,-0.5 -0.967 4.0-168.1-115.0 125.6 31.6 16.1 11.0 10 10 A L E - b 0 49A 0 38,-2.6 40,-2.9 -2,-0.5 2,-0.3 -0.932 21.0-129.2-112.2 130.2 28.3 18.0 11.4 11 11 A A E - b 0 50A 0 -2,-0.5 2,-0.4 38,-0.2 40,-0.2 -0.617 31.5-171.2 -68.8 133.4 25.0 16.6 12.5 12 12 A V E - b 0 51A 0 38,-2.2 40,-2.9 -2,-0.3 3,-0.2 -0.998 24.9-162.1-134.6 130.6 22.3 17.5 10.1 13 13 A A S S+ 0 0 31 -2,-0.4 2,-0.5 1,-0.3 -1,-0.1 0.811 92.3 36.9 -75.1 -32.3 18.6 17.0 10.4 14 14 A D > - 0 0 87 1,-0.2 4,-2.3 38,-0.1 -1,-0.3 -0.896 69.8-173.6-125.0 94.0 17.8 17.4 6.7 15 15 A L H > S+ 0 0 6 -2,-0.5 4,-2.7 -3,-0.2 5,-0.2 0.907 82.7 49.7 -64.3 -46.5 20.6 15.8 4.7 16 16 A P H > S+ 0 0 68 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.922 112.0 49.7 -59.0 -40.5 19.5 16.9 1.2 17 17 A A H > S+ 0 0 39 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.905 112.4 46.8 -63.8 -40.7 19.1 20.5 2.4 18 18 A S H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.899 109.5 53.6 -70.7 -37.5 22.5 20.6 4.0 19 19 A I H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.4 0.946 111.1 46.4 -57.0 -49.2 24.1 19.0 0.9 20 20 A A H X>S+ 0 0 33 -4,-2.2 4,-2.4 -5,-0.2 5,-0.9 0.906 112.5 51.1 -63.5 -39.7 22.6 21.7 -1.3 21 21 A F H X>S+ 0 0 24 -4,-2.4 5,-1.4 3,-0.2 4,-1.3 0.959 116.3 38.3 -62.1 -51.8 23.7 24.5 1.2 22 22 A Y H <5S+ 0 0 0 -4,-2.6 6,-2.5 3,-0.2 4,-0.2 0.916 124.9 39.8 -68.0 -41.9 27.3 23.4 1.4 23 23 A R H X5S+ 0 0 91 -4,-2.8 4,-0.8 -5,-0.3 -3,-0.2 0.964 127.2 28.0 -68.9 -56.3 27.7 22.5 -2.3 24 24 A D H <5S+ 0 0 97 -4,-2.4 -3,-0.2 -5,-0.4 -2,-0.1 0.886 130.7 31.4 -85.8 -37.0 25.7 25.3 -3.9 25 25 A L T < -C 37 0A 40 3,-2.8 3,-1.1 -2,-0.3 231,-0.2 -0.824 53.7 -79.3-142.3-173.8 24.5 7.7 0.9 35 35 A D T 3 S+ 0 0 88 229,-2.4 -20,-0.1 1,-0.3 230,-0.1 0.787 127.6 32.2 -65.8 -23.7 21.2 7.3 2.8 36 36 A Q T 3 S- 0 0 76 228,-0.3 15,-2.1 1,-0.1 2,-0.3 0.241 124.5 -11.9-119.2 16.1 22.7 8.6 6.1 37 37 A G E < -CE 34 50A 0 -3,-1.1 -3,-2.8 13,-0.2 2,-0.3 -1.000 50.5-123.7 176.5-176.7 25.3 11.1 5.1 38 38 A A E -CE 33 49A 0 11,-1.8 11,-2.6 -2,-0.3 2,-0.5 -0.994 11.0-142.7-150.2 150.3 27.6 12.9 2.6 39 39 A Y E +CE 32 48A 9 -7,-2.8 -8,-2.7 -2,-0.3 -7,-1.8 -0.985 27.5 172.0-114.1 127.2 31.3 13.5 2.2 40 40 A L E -CE 30 47A 0 7,-2.8 7,-2.6 -2,-0.5 2,-0.4 -0.888 16.8-149.8-129.9 162.2 32.3 16.9 0.7 41 41 A E E +CE 29 46A 54 -12,-1.9 -12,-3.0 -2,-0.3 2,-0.4 -0.994 14.1 178.3-138.1 139.1 35.6 18.7 0.2 42 42 A L E > S- E 0 45A 11 3,-1.9 3,-2.4 -2,-0.4 98,-0.3 -0.943 75.2 -45.1-133.2 108.9 36.6 22.4 0.2 43 43 A G T 3 S- 0 0 54 -2,-0.4 96,-0.2 1,-0.3 95,-0.0 -0.519 126.0 -24.7 64.9-131.4 40.4 22.9 -0.3 44 44 A S T 3 S+ 0 0 101 94,-0.3 2,-0.4 -2,-0.2 -1,-0.3 0.470 111.9 115.8 -88.1 -6.6 41.9 20.3 2.1 45 45 A L E < - E 0 42A 6 -3,-2.4 -3,-1.9 -38,-0.1 2,-0.7 -0.584 52.0-156.3 -74.4 123.7 38.8 20.3 4.4 46 46 A W E - E 0 41A 6 -2,-0.4 -38,-2.4 -40,-0.3 2,-0.5 -0.902 15.5-166.9 -93.3 110.4 37.0 16.9 4.5 47 47 A L E -bE 8 40A 1 -7,-2.6 -7,-2.8 -2,-0.7 2,-0.5 -0.896 5.2-165.0-100.3 131.3 33.4 17.7 5.6 48 48 A C E -bE 9 39A 9 -40,-2.8 -38,-2.6 -2,-0.5 2,-0.6 -0.962 5.6-159.0-118.8 117.2 31.1 15.0 6.7 49 49 A L E -bE 10 38A 1 -11,-2.6 -11,-1.8 -2,-0.5 2,-0.6 -0.865 11.0-162.1 -96.0 123.9 27.4 15.5 7.0 50 50 A S E -bE 11 37A 33 -40,-2.9 -38,-2.2 -2,-0.6 -13,-0.2 -0.902 18.6-127.2-112.3 109.1 25.8 13.0 9.4 51 51 A R E +b 12 0A 88 -15,-2.1 -38,-0.2 -2,-0.6 -40,-0.1 -0.315 38.6 161.1 -65.2 129.8 22.1 12.6 9.1 52 52 A E > - 0 0 31 -40,-2.9 3,-2.4 -2,-0.1 -1,-0.1 -0.738 18.9-167.1-147.4 79.6 20.4 12.9 12.5 53 53 A P T 3 S+ 0 0 59 0, 0.0 -40,-0.1 0, 0.0 -1,-0.1 0.763 83.9 47.3 -57.2 -28.5 16.7 13.7 11.9 54 54 A Q T 3 S+ 0 0 175 -42,-0.1 -41,-0.1 2,-0.0 2,-0.0 0.484 79.6 130.1 -91.3 5.7 15.8 14.7 15.4 55 55 A Y < - 0 0 21 -3,-2.4 -42,-0.1 1,-0.2 -3,-0.1 -0.339 40.1-166.0 -61.8 134.1 18.8 17.0 15.8 56 56 A G - 0 0 79 1,-0.4 -1,-0.2 -44,-0.1 -2,-0.0 0.207 43.7 -97.7-106.5 11.3 17.7 20.4 17.0 57 57 A G - 0 0 11 -46,-0.0 -1,-0.4 2,-0.0 49,-0.2 -0.152 54.9 -52.0 90.3 165.5 20.8 22.4 16.4 58 58 A P - 0 0 39 0, 0.0 137,-0.0 0, 0.0 3,-0.0 -0.243 57.7 -91.1 -77.5 164.5 23.6 23.3 18.7 59 59 A A - 0 0 36 1,-0.1 2,-0.9 133,-0.1 4,-0.1 -0.224 51.8 -96.3 -51.7 152.8 23.6 25.0 22.1 60 60 A A S S+ 0 0 97 2,-0.1 2,-0.2 0, 0.0 -1,-0.1 -0.747 80.5 114.4 -81.1 105.1 23.9 28.8 22.1 61 61 A D S S- 0 0 12 -2,-0.9 126,-0.0 2,-0.2 84,-0.0 -0.878 80.0 -85.9-157.1-174.2 27.7 29.3 22.6 62 62 A Y S S+ 0 0 109 -2,-0.2 2,-0.1 123,-0.2 82,-0.1 0.506 77.0 124.6 -86.4 -8.5 30.8 30.6 20.9 63 63 A T + 0 0 8 -4,-0.1 45,-0.4 122,-0.1 2,-0.3 -0.355 36.2 150.0 -59.1 127.9 31.7 27.3 19.0 64 64 A H E -I 144 0B 10 80,-2.0 80,-2.8 43,-0.1 2,-0.4 -0.981 42.2-128.3-160.2 165.8 32.0 28.0 15.3 65 65 A Y E -Ij 143 109B 10 43,-2.3 45,-1.6 -2,-0.3 2,-0.4 -0.982 22.5-159.4-123.6 122.0 33.7 27.0 12.0 66 66 A A E -Ij 142 110B 0 76,-2.7 75,-2.9 -2,-0.4 76,-1.5 -0.885 2.7-162.0-112.9 139.4 35.4 29.5 9.8 67 67 A F E -Ij 140 111B 0 43,-3.2 45,-2.6 -2,-0.4 73,-0.2 -0.866 25.6-113.3-111.0 144.2 36.2 29.2 6.1 68 68 A G E + j 0 112B 2 71,-1.7 70,-2.0 -2,-0.3 71,-0.4 -0.450 33.3 174.6 -80.1 154.6 38.8 31.3 4.3 69 69 A I E -I 137 0B 10 43,-1.8 45,-0.3 68,-0.2 2,-0.2 -0.986 33.3-105.6-152.4 147.7 38.0 33.9 1.6 70 70 A A >> - 0 0 48 66,-0.5 3,-1.4 -2,-0.3 4,-0.9 -0.510 31.0-117.2 -72.3 147.3 40.1 36.4 -0.2 71 71 A A H >> S+ 0 0 67 1,-0.3 3,-1.1 2,-0.2 4,-0.5 0.883 113.2 52.0 -47.6 -48.9 39.8 40.1 0.6 72 72 A A H 34 S+ 0 0 94 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.717 111.0 47.8 -67.7 -19.8 38.5 41.1 -2.8 73 73 A D H <> S+ 0 0 66 -3,-1.4 4,-2.0 1,-0.1 -1,-0.3 0.539 89.9 87.2 -91.6 -13.5 35.8 38.4 -2.8 74 74 A F H S+ 0 0 208 -4,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.909 111.6 50.0 -64.2 -41.0 30.3 39.9 -2.8 77 77 A F H X S+ 0 0 17 -4,-2.0 4,-2.6 2,-0.2 5,-0.3 0.949 111.9 46.3 -62.7 -50.1 30.0 36.8 -0.7 78 78 A A H X S+ 0 0 2 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.929 114.6 48.6 -57.4 -43.9 28.4 38.5 2.2 79 79 A A H X S+ 0 0 55 -4,-2.5 4,-2.7 -5,-0.3 5,-0.2 0.919 111.1 50.4 -63.4 -42.5 26.0 40.3 -0.1 80 80 A Q H X S+ 0 0 103 -4,-2.5 4,-1.3 -5,-0.2 -2,-0.2 0.960 112.3 44.9 -63.4 -46.9 25.1 37.1 -1.9 81 81 A L H <>S+ 0 0 0 -4,-2.6 5,-2.1 1,-0.2 -1,-0.2 0.921 113.9 50.4 -68.5 -38.0 24.4 35.1 1.3 82 82 A R H ><5S+ 0 0 138 -4,-2.5 3,-1.7 -5,-0.3 -1,-0.2 0.914 108.0 52.7 -61.2 -40.8 22.4 38.1 2.7 83 83 A A H 3<5S+ 0 0 93 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.776 106.2 55.6 -64.9 -24.0 20.3 38.3 -0.5 84 84 A H T 3<5S- 0 0 120 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.413 121.0-109.8 -90.1 2.6 19.6 34.6 -0.1 85 85 A G T < 5 + 0 0 63 -3,-1.7 -3,-0.2 1,-0.2 2,-0.1 0.638 56.7 164.0 80.3 23.3 18.2 35.2 3.4 86 86 A V < - 0 0 20 -5,-2.1 2,-0.3 1,-0.1 -1,-0.2 -0.502 36.2-122.5 -70.5 141.0 20.9 33.6 5.5 87 87 A R - 0 0 188 15,-0.3 15,-2.3 -2,-0.1 2,-0.3 -0.673 17.6-139.4 -87.9 141.7 20.7 34.6 9.1 88 88 A E E -K 101 0B 77 -2,-0.3 13,-0.3 13,-0.2 3,-0.1 -0.703 16.5-176.0 -97.5 151.1 23.7 36.2 10.9 89 89 A W E + 0 0 63 11,-1.5 2,-0.3 1,-0.3 12,-0.2 0.451 67.5 22.4-122.4 -6.5 24.7 35.3 14.5 90 90 A K E -K 100 0B 70 10,-0.8 10,-0.6 2,-0.0 2,-0.4 -0.977 64.3-130.5-161.1 151.1 27.6 37.8 15.2 91 91 A Q - 0 0 149 -2,-0.3 8,-0.1 8,-0.1 2,-0.1 -0.921 41.5-103.6-106.8 130.3 28.9 41.1 14.0 92 92 A N + 0 0 51 -2,-0.4 4,-0.1 6,-0.4 5,-0.0 -0.309 50.3 154.0 -62.2 132.8 32.6 41.3 13.2 93 93 A R + 0 0 187 2,-0.1 -1,-0.2 3,-0.1 2,-0.2 0.443 51.5 77.3-127.8 -11.7 34.8 43.0 15.8 94 94 A S S S- 0 0 31 1,-0.2 4,-0.1 2,-0.2 25,-0.0 -0.500 92.2 -63.1-109.2 168.5 38.2 41.4 15.2 95 95 A E S S+ 0 0 55 -2,-0.2 -1,-0.2 24,-0.1 -2,-0.1 -0.159 101.5 25.0 -51.0 136.7 41.0 41.7 12.6 96 96 A G S S- 0 0 24 -3,-0.1 -2,-0.2 16,-0.1 18,-0.1 0.481 101.2 -69.1 85.1 135.8 40.1 40.8 9.0 97 97 A D - 0 0 86 15,-0.1 16,-2.8 -4,-0.1 2,-0.3 -0.257 56.9-178.6 -51.3 139.8 36.7 40.9 7.4 98 98 A S E - L 0 112B 9 14,-0.2 2,-0.5 -4,-0.1 -6,-0.4 -0.987 20.9-162.2-146.1 141.3 34.4 38.3 8.8 99 99 A F E - L 0 111B 3 12,-2.0 12,-2.1 -2,-0.3 2,-0.6 -0.994 14.1-157.2-123.0 119.9 30.8 37.3 8.0 100 100 A Y E +KL 90 110B 5 -10,-0.6 -11,-1.5 -2,-0.5 -10,-0.8 -0.917 25.6 158.7-110.5 109.5 29.1 35.2 10.7 101 101 A F E -KL 88 109B 0 8,-1.2 8,-3.1 -2,-0.6 2,-0.3 -0.870 34.7-116.1-136.6 157.9 26.2 33.1 9.4 102 102 A L E - L 0 108B 38 -15,-2.3 -15,-0.3 -2,-0.3 6,-0.2 -0.737 18.8-138.3 -97.3 145.6 24.1 30.1 10.3 103 103 A D > - 0 0 8 4,-2.2 3,-1.7 -2,-0.3 -16,-0.1 -0.276 46.5 -83.5 -85.6 175.4 23.8 26.8 8.4 104 104 A P T 3 S+ 0 0 68 0, 0.0 -86,-0.1 0, 0.0 -92,-0.0 0.755 132.6 42.3 -56.4 -23.7 20.4 25.0 8.0 105 105 A D T 3 S- 0 0 26 -94,-0.1 3,-0.1 2,-0.1 -94,-0.0 0.459 123.6-100.6 -97.5 -8.8 20.7 23.4 11.4 106 106 A G < + 0 0 19 -3,-1.7 2,-0.1 1,-0.3 -50,-0.0 0.516 65.9 157.0 90.8 8.6 22.1 26.5 13.2 107 107 A H - 0 0 1 -96,-0.1 -4,-2.2 1,-0.1 2,-0.6 -0.466 48.3-115.4 -58.5 139.0 25.7 25.4 13.1 108 108 A R E - L 0 102B 26 -45,-0.4 -43,-2.3 -6,-0.2 2,-0.2 -0.729 40.9-179.4 -88.9 119.0 27.7 28.7 13.4 109 109 A L E -jL 65 101B 0 -8,-3.1 -8,-1.2 -2,-0.6 2,-0.3 -0.702 11.4-165.9-114.2 165.4 29.8 29.5 10.4 110 110 A E E -jL 66 100B 1 -45,-1.6 -43,-3.2 -2,-0.2 2,-0.5 -0.989 15.4-152.5-150.9 139.1 32.2 32.3 9.4 111 111 A A E -jL 67 99B 0 -12,-2.1 -12,-2.0 -2,-0.3 2,-0.4 -0.991 33.8-173.0-108.4 123.3 33.8 33.5 6.1 112 112 A H E -jL 68 98B 1 -45,-2.6 -43,-1.8 -2,-0.5 2,-0.6 -0.978 28.1-146.4-131.9 137.1 37.0 35.2 7.1 113 113 A V S S+ 0 0 26 -16,-2.8 2,-0.2 -2,-0.4 -43,-0.1 -0.893 73.0 26.3 -96.3 118.3 39.8 37.2 5.5 114 114 A G - 0 0 26 -2,-0.6 2,-0.2 -45,-0.3 -45,-0.2 -0.695 69.1-123.6 122.7-175.5 43.2 36.5 7.1 115 115 A D > - 0 0 84 -2,-0.2 4,-2.3 -47,-0.1 5,-0.2 -0.832 42.8 -72.5-154.4-171.2 44.8 33.7 9.0 116 116 A L H > S+ 0 0 6 -2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.914 127.3 50.6 -62.6 -40.2 46.6 32.8 12.2 117 117 A R H > S+ 0 0 108 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.897 109.9 48.3 -67.8 -39.4 49.7 34.7 11.2 118 118 A S H > S+ 0 0 34 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.886 112.9 49.6 -69.2 -35.0 47.8 37.9 10.3 119 119 A R H X S+ 0 0 14 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.940 112.1 47.2 -62.8 -49.0 45.9 37.7 13.6 120 120 A L H X S+ 0 0 11 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.927 111.9 50.5 -59.6 -44.3 49.1 37.2 15.6 121 121 A A H X S+ 0 0 61 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.916 112.8 46.2 -60.6 -41.9 50.8 40.1 13.8 122 122 A A H X S+ 0 0 36 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.919 112.2 51.8 -67.4 -39.0 47.8 42.4 14.4 123 123 A C H < S+ 0 0 3 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.830 103.8 57.0 -68.3 -32.9 47.7 41.3 18.1 124 124 A R H < S+ 0 0 146 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.886 109.8 44.8 -70.1 -32.8 51.3 42.0 18.6 125 125 A Q H < S+ 0 0 181 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.777 135.5 16.3 -77.2 -20.8 50.8 45.6 17.5 126 126 A A S < S- 0 0 66 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 -0.633 89.2-154.1-149.4 82.3 47.6 45.8 19.7 127 127 A P - 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