==== 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 1LQO . 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) . 12420.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 192 71.6 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 . 71 26.5 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 . 53 19.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.2 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 5 0 0 1 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 5 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 . 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 67 0, 0.0 204,-0.5 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 -38.1 51.3 13.7 17.6 2 2 A L E -A 204 0A 14 159,-0.5 202,-0.2 202,-0.1 176,-0.1 -0.519 360.0-162.2 -71.8 155.1 48.3 15.4 16.0 3 3 A T E - 0 0 88 200,-1.9 176,-0.4 1,-0.3 2,-0.3 0.558 48.5 -66.1-114.9 -13.9 48.9 17.2 12.7 4 4 A G E S- 0 0 7 199,-0.4 199,-1.7 174,-0.2 2,-0.4 -0.980 78.3 -29.4 151.3-167.8 46.0 19.5 12.1 5 5 A L E -A 202 0A 44 -2,-0.3 197,-0.3 197,-0.3 3,-0.1 -0.755 45.8-179.4 -89.9 129.5 42.3 19.5 11.4 6 6 A N E - 0 0 26 195,-3.4 2,-0.3 -2,-0.4 40,-0.3 0.803 62.9 -16.8 -94.8 -48.3 41.2 16.4 9.6 7 7 A H E -A 201 0A 8 194,-1.7 194,-2.8 38,-0.1 2,-0.5 -0.987 48.3-138.4-158.1 156.9 37.5 17.1 9.3 8 8 A L E -Ab 200 47A 5 38,-2.2 40,-2.9 -2,-0.3 2,-0.5 -0.980 22.7-165.2-112.4 124.4 34.6 19.3 10.6 9 9 A T E -Ab 199 48A 4 190,-3.0 190,-1.7 -2,-0.5 2,-0.4 -0.948 4.0-171.2-115.7 127.7 31.3 17.4 11.1 10 10 A L E - b 0 49A 0 38,-2.6 40,-2.4 -2,-0.5 2,-0.3 -0.955 22.4-127.2-117.2 136.0 27.9 19.3 11.7 11 11 A A E - b 0 50A 0 -2,-0.4 2,-0.4 38,-0.2 40,-0.2 -0.588 32.0-171.6 -72.9 135.2 24.6 17.9 12.7 12 12 A V E - b 0 51A 0 38,-2.4 40,-2.5 -2,-0.3 3,-0.2 -0.997 25.4-160.3-134.8 137.3 21.8 18.9 10.3 13 13 A A S S+ 0 0 30 -2,-0.4 2,-0.6 1,-0.2 -1,-0.1 0.870 90.3 37.1 -78.0 -39.7 18.1 18.4 10.4 14 14 A D > - 0 0 86 1,-0.2 4,-2.4 37,-0.1 5,-0.3 -0.889 66.9-172.0-120.0 96.0 17.3 18.9 6.7 15 15 A L H > S+ 0 0 8 -2,-0.6 4,-2.3 -3,-0.2 5,-0.2 0.888 84.7 51.8 -59.0 -48.0 20.0 17.3 4.6 16 16 A P H > S+ 0 0 77 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.936 112.1 49.1 -51.0 -46.9 18.7 18.6 1.2 17 17 A A H > S+ 0 0 33 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.903 111.2 46.3 -62.9 -45.6 18.7 22.1 2.7 18 18 A S H X S+ 0 0 1 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.895 111.4 52.9 -67.3 -39.1 22.2 22.1 4.2 19 19 A I H X S+ 0 0 0 -4,-2.3 4,-2.7 -5,-0.3 5,-0.4 0.981 109.8 47.7 -58.4 -51.7 23.6 20.6 1.0 20 20 A A H X>S+ 0 0 39 -4,-2.4 4,-1.6 -5,-0.2 5,-1.0 0.874 113.1 50.2 -57.0 -40.9 22.1 23.4 -1.0 21 21 A F H X>S+ 0 0 18 -4,-2.1 5,-1.3 3,-0.2 4,-0.9 0.953 116.2 38.4 -61.2 -53.6 23.4 26.0 1.5 22 22 A Y H <5S+ 0 0 0 -4,-2.8 6,-2.8 3,-0.2 -2,-0.2 0.895 123.9 40.1 -69.2 -40.1 27.1 24.8 1.6 23 23 A R H X5S+ 0 0 89 -4,-2.7 4,-0.6 -5,-0.3 -3,-0.2 0.980 128.4 22.9 -74.6 -57.8 27.3 24.0 -2.1 24 24 A D H <5S+ 0 0 101 -4,-1.6 -3,-0.2 -5,-0.4 -2,-0.1 0.834 131.1 36.3 -82.5 -37.2 25.5 26.8 -3.9 25 25 A L T < -C 37 0A 36 3,-2.8 3,-1.2 -2,-0.3 231,-0.2 -0.883 53.5 -80.5-145.6-177.1 23.9 9.2 1.2 35 35 A D T 3 S+ 0 0 71 229,-2.6 -20,-0.1 -2,-0.3 230,-0.1 0.762 128.5 30.5 -65.6 -21.8 20.7 8.7 3.1 36 36 A Q T 3 S- 0 0 76 228,-0.2 15,-2.1 1,-0.1 2,-0.3 0.237 124.8 -21.2-121.7 18.7 22.2 10.0 6.3 37 37 A G E < -CE 34 50A 0 -3,-1.2 -3,-2.8 13,-0.2 2,-0.3 -0.999 49.0-116.9 169.3-173.1 24.9 12.5 5.2 38 38 A A E -CE 33 49A 0 11,-1.8 11,-2.9 -2,-0.3 2,-0.4 -0.985 10.5-140.8-156.5 154.2 27.3 14.2 2.8 39 39 A Y E +CE 32 48A 8 -7,-2.7 -8,-2.1 -2,-0.3 -7,-1.8 -0.972 26.3 178.1-119.7 122.6 30.9 14.9 2.3 40 40 A L E -CE 30 47A 0 7,-3.0 7,-2.9 -2,-0.4 2,-0.4 -0.931 13.4-147.3-121.7 155.0 31.9 18.4 0.9 41 41 A E E +CE 29 46A 51 -12,-2.6 -12,-2.9 -2,-0.3 2,-0.3 -0.986 17.2 173.2-130.4 138.7 35.2 19.9 0.2 42 42 A L E > S- E 0 45A 12 3,-2.3 3,-2.3 -2,-0.4 2,-0.3 -0.891 71.7 -49.6-140.1 105.3 36.5 23.5 0.3 43 43 A G T 3 S- 0 0 53 -2,-0.3 96,-0.2 1,-0.3 95,-0.0 -0.562 124.5 -25.6 63.4-123.4 40.2 24.1 -0.3 44 44 A S T 3 S+ 0 0 112 94,-0.4 2,-0.4 -2,-0.3 -1,-0.3 0.509 113.6 113.8 -96.8 -0.3 41.7 21.5 2.1 45 45 A L E < - E 0 42A 6 -3,-2.3 -3,-2.3 93,-0.2 2,-0.7 -0.547 52.3-158.1 -74.9 120.9 38.6 21.6 4.4 46 46 A W E - E 0 41A 6 -2,-0.4 -38,-2.2 -40,-0.3 2,-0.5 -0.905 13.9-165.4 -96.6 111.9 36.7 18.3 4.5 47 47 A L E -bE 8 40A 0 -7,-2.9 -7,-3.0 -2,-0.7 2,-0.4 -0.866 4.2-165.1-104.3 132.2 33.2 19.1 5.7 48 48 A C E -bE 9 39A 9 -40,-2.9 -38,-2.6 -2,-0.5 2,-0.5 -0.953 5.9-158.6-117.3 133.3 30.8 16.4 6.8 49 49 A L E -bE 10 38A 2 -11,-2.9 -11,-1.8 -2,-0.4 2,-0.5 -0.956 7.8-164.6-109.5 126.2 27.0 16.7 7.2 50 50 A S E -bE 11 37A 23 -40,-2.4 -38,-2.4 -2,-0.5 -13,-0.2 -0.967 18.2-131.8-114.7 113.0 25.4 14.2 9.5 51 51 A R E +b 12 0A 100 -15,-2.1 -38,-0.2 -2,-0.5 -40,-0.1 -0.416 32.4 165.7 -67.4 127.7 21.6 14.0 9.3 52 52 A E > - 0 0 51 -40,-2.5 3,-2.8 -2,-0.2 -2,-0.0 -0.744 21.8-158.4-141.4 90.6 19.7 14.0 12.6 53 53 A P T 3 S+ 0 0 72 0, 0.0 -1,-0.1 0, 0.0 -40,-0.1 0.732 88.8 42.5 -51.5 -31.9 16.0 14.7 11.7 54 54 A Q T 3 S+ 0 0 184 -42,-0.1 -41,-0.1 2,-0.0 2,-0.0 0.412 81.4 132.1 -96.9 8.2 15.0 16.0 15.1 55 55 A Y < - 0 0 27 -3,-2.8 -42,-0.1 1,-0.1 -3,-0.1 -0.282 38.8-165.5 -63.2 133.7 18.1 18.2 15.7 56 56 A G - 0 0 79 1,-0.3 -1,-0.1 -44,-0.1 -44,-0.0 0.126 41.8 -98.4-110.5 20.8 17.2 21.6 16.8 57 57 A G - 0 0 14 -46,-0.0 -1,-0.3 137,-0.0 49,-0.2 0.061 53.6 -57.4 83.0 160.8 20.4 23.5 16.3 58 58 A P - 0 0 40 0, 0.0 2,-0.1 0, 0.0 3,-0.0 -0.203 56.2-102.6 -69.7 167.5 23.1 24.4 18.9 59 59 A A - 0 0 58 133,-0.1 2,-0.9 1,-0.1 135,-0.0 -0.330 51.8 -80.2 -76.5 174.8 22.5 26.4 22.1 60 60 A A S S+ 0 0 93 2,-0.1 2,-0.3 -2,-0.1 -1,-0.1 -0.715 80.4 113.3 -84.3 106.0 23.5 30.1 22.3 61 61 A D S S- 0 0 19 -2,-0.9 126,-0.0 2,-0.2 129,-0.0 -0.871 77.5 -88.9-155.4-173.8 27.2 30.4 22.9 62 62 A Y S S+ 0 0 69 -2,-0.3 2,-0.1 123,-0.2 -2,-0.1 0.405 74.8 127.9 -90.5 3.0 30.3 31.6 21.2 63 63 A T + 0 0 7 82,-0.1 45,-0.4 122,-0.0 2,-0.3 -0.393 36.2 152.3 -62.8 125.6 31.3 28.3 19.4 64 64 A H E -I 144 0B 1 80,-2.3 80,-2.6 -2,-0.1 2,-0.5 -0.994 43.5-129.0-156.9 166.7 31.7 29.0 15.7 65 65 A Y E -Ij 143 109B 10 43,-2.3 45,-1.5 -2,-0.3 2,-0.4 -0.971 22.4-160.6-125.6 115.5 33.4 28.0 12.5 66 66 A A E -Ij 142 110B 0 76,-2.6 75,-3.8 -2,-0.5 76,-1.6 -0.878 0.6-159.5-100.4 130.9 35.3 30.6 10.3 67 67 A F E -Ij 140 111B 1 43,-3.1 45,-2.9 -2,-0.4 73,-0.3 -0.826 25.5-111.2-106.9 144.7 36.2 30.2 6.6 68 68 A G E +Ij 139 112B 4 71,-1.7 70,-1.9 -2,-0.3 71,-0.5 -0.407 36.4 175.4 -72.6 147.7 38.9 32.2 4.8 69 69 A I E -I 137 0B 10 43,-1.3 45,-0.3 68,-0.2 2,-0.2 -0.971 31.7-110.7-151.4 144.4 38.1 34.9 2.2 70 70 A A >> - 0 0 48 66,-0.6 3,-1.6 -2,-0.3 4,-1.0 -0.524 28.5-119.6 -75.5 144.5 40.3 37.4 0.3 71 71 A A H >> S+ 0 0 66 1,-0.3 3,-0.7 2,-0.2 4,-0.5 0.859 112.9 54.5 -50.7 -41.9 39.9 41.0 1.1 72 72 A A H 34 S+ 0 0 100 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.739 110.1 46.6 -70.7 -18.5 38.8 41.9 -2.5 73 73 A D H <> S+ 0 0 61 -3,-1.6 4,-2.2 1,-0.1 -1,-0.2 0.569 90.6 89.1 -94.3 -10.4 36.0 39.3 -2.4 74 74 A F H S+ 0 0 193 -4,-0.3 4,-2.9 2,-0.2 -1,-0.3 0.929 109.0 50.1 -59.7 -45.8 30.6 41.0 -2.5 77 77 A F H X S+ 0 0 7 -4,-2.2 4,-2.9 -3,-0.3 5,-0.2 0.965 114.7 44.1 -55.4 -51.2 30.2 37.8 -0.4 78 78 A A H X S+ 0 0 4 -4,-2.0 4,-2.2 1,-0.2 5,-0.2 0.908 114.1 50.3 -59.8 -45.8 28.5 39.7 2.5 79 79 A A H X S+ 0 0 59 -4,-2.7 4,-2.0 -5,-0.3 -1,-0.2 0.918 111.0 49.9 -62.5 -42.3 26.3 41.6 0.1 80 80 A Q H X S+ 0 0 93 -4,-2.9 4,-1.7 -5,-0.2 -2,-0.2 0.924 111.6 45.4 -65.1 -46.3 25.3 38.3 -1.6 81 81 A L H <>S+ 0 0 0 -4,-2.9 5,-2.3 2,-0.2 -1,-0.2 0.872 110.8 53.7 -65.5 -36.1 24.3 36.4 1.5 82 82 A R H ><5S+ 0 0 135 -4,-2.2 3,-1.5 -5,-0.2 -1,-0.2 0.920 107.6 51.4 -62.9 -41.8 22.4 39.4 2.9 83 83 A A H 3<5S+ 0 0 94 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.883 105.6 56.1 -62.8 -36.8 20.4 39.5 -0.3 84 84 A H T 3<5S- 0 0 122 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.313 122.6-106.4 -76.4 1.9 19.6 35.7 -0.0 85 85 A G T < 5 + 0 0 63 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.604 58.6 165.9 85.7 19.4 18.1 36.4 3.4 86 86 A V < - 0 0 19 -5,-2.3 2,-0.3 1,-0.1 -1,-0.2 -0.383 33.1-126.9 -71.1 141.9 20.9 34.9 5.6 87 87 A R - 0 0 192 15,-0.3 15,-2.3 16,-0.1 2,-0.3 -0.733 17.4-141.9 -92.0 138.2 20.6 35.9 9.3 88 88 A E E -K 101 0B 76 -2,-0.3 13,-0.3 13,-0.2 3,-0.1 -0.679 14.8-173.1 -99.5 150.6 23.6 37.5 11.2 89 89 A W E + 0 0 61 11,-1.5 2,-0.3 1,-0.3 12,-0.1 0.367 68.1 17.1-124.4 -2.4 24.6 36.7 14.8 90 90 A K E -K 100 0B 61 10,-0.7 10,-0.6 2,-0.0 2,-0.4 -0.963 64.2-130.3-165.9 154.6 27.4 39.1 15.5 91 91 A Q - 0 0 125 -2,-0.3 2,-0.2 8,-0.1 8,-0.1 -0.888 40.3 -99.7-113.1 142.3 28.9 42.4 14.1 92 92 A N + 0 0 43 6,-0.4 4,-0.1 -2,-0.4 5,-0.0 -0.430 51.8 149.4 -68.9 131.1 32.6 42.7 13.5 93 93 A R + 0 0 176 -2,-0.2 2,-0.3 2,-0.1 -1,-0.1 0.087 51.8 77.2-139.7 15.7 34.8 44.4 16.1 94 94 A S S S- 0 0 37 2,-0.3 4,-0.1 1,-0.1 25,-0.0 -0.835 93.8 -57.1-125.4 171.9 38.1 42.7 15.8 95 95 A E S S+ 0 0 53 -2,-0.3 -1,-0.1 24,-0.1 -2,-0.1 -0.080 104.1 20.7 -47.9 135.7 41.1 42.8 13.4 96 96 A G S S- 0 0 24 16,-0.1 -2,-0.3 22,-0.1 18,-0.1 0.538 98.7 -69.9 74.9 133.7 40.1 42.0 9.8 97 97 A D + 0 0 85 15,-0.1 16,-2.8 -4,-0.1 2,-0.3 -0.264 56.6 178.4 -48.6 136.2 36.7 42.1 8.0 98 98 A S E - L 0 112B 9 14,-0.2 2,-0.4 -4,-0.1 -6,-0.4 -0.994 21.7-162.3-148.8 137.6 34.4 39.5 9.2 99 99 A F E - L 0 111B 3 12,-1.6 12,-2.2 -2,-0.3 2,-0.6 -0.993 14.7-156.9-118.0 125.9 30.8 38.6 8.3 100 100 A Y E +KL 90 110B 3 -10,-0.6 -11,-1.5 -2,-0.4 -10,-0.7 -0.894 23.7 160.6-117.3 106.9 29.0 36.4 10.9 101 101 A F E -KL 88 109B 0 8,-0.9 8,-2.9 -2,-0.6 2,-0.3 -0.867 32.4-119.8-130.1 162.3 26.1 34.3 9.7 102 102 A L E - L 0 108B 35 -15,-2.3 -15,-0.3 -2,-0.3 6,-0.2 -0.728 18.3-136.6-104.3 145.1 24.0 31.3 10.5 103 103 A D > - 0 0 9 4,-2.1 3,-1.3 -2,-0.3 -16,-0.1 -0.290 45.8 -82.9 -85.5-179.8 23.5 28.2 8.6 104 104 A P T 3 S+ 0 0 68 0, 0.0 -86,-0.1 0, 0.0 -92,-0.0 0.709 131.3 42.1 -62.3 -21.0 20.0 26.6 8.2 105 105 A D T 3 S- 0 0 24 -94,-0.1 -94,-0.0 2,-0.1 -93,-0.0 0.440 123.3-100.6 -98.6 -5.7 20.3 24.7 11.6 106 106 A G < + 0 0 21 -3,-1.3 2,-0.1 1,-0.3 -50,-0.0 0.552 65.3 156.6 92.6 9.5 21.7 27.7 13.4 107 107 A H - 0 0 2 -96,-0.1 -4,-2.1 1,-0.1 2,-0.6 -0.452 47.9-115.2 -60.3 140.0 25.4 26.7 13.4 108 108 A R E - L 0 102B 26 -45,-0.4 -43,-2.3 -6,-0.2 2,-0.2 -0.701 40.3-178.8 -85.6 123.9 27.4 29.9 13.8 109 109 A L E -jL 65 101B 0 -8,-2.9 -8,-0.9 -2,-0.6 2,-0.3 -0.727 11.6-167.0-120.5 167.8 29.6 30.7 10.8 110 110 A E E -jL 66 100B 2 -45,-1.5 -43,-3.1 -10,-0.2 2,-0.5 -0.991 15.5-153.3-150.8 135.6 32.1 33.4 9.8 111 111 A A E -jL 67 99B 0 -12,-2.2 -12,-1.6 -2,-0.3 2,-0.4 -0.987 32.6-170.7-107.9 123.5 33.8 34.6 6.7 112 112 A H E -jL 68 98B 1 -45,-2.9 -43,-1.3 -2,-0.5 2,-0.5 -0.952 25.5-149.5-125.9 134.2 37.1 36.2 7.7 113 113 A V S S+ 0 0 28 -16,-2.8 2,-0.2 -2,-0.4 -43,-0.1 -0.870 72.6 27.7 -93.8 123.4 39.9 38.3 6.1 114 114 A G - 0 0 28 -2,-0.5 2,-0.2 -45,-0.3 -45,-0.2 -0.667 69.9-124.9 120.5 178.7 43.2 37.7 7.8 115 115 A D > - 0 0 46 -2,-0.2 4,-1.9 -47,-0.1 5,-0.1 -0.796 41.4 -74.7-149.8-172.7 44.9 34.9 9.8 116 116 A L H > S+ 0 0 9 -2,-0.2 4,-3.6 2,-0.2 5,-0.3 0.939 127.3 51.2 -60.6 -44.1 46.6 34.1 13.1 117 117 A R H > S+ 0 0 199 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.963 111.8 46.6 -55.8 -50.4 49.8 35.9 12.1 118 118 A S H > S+ 0 0 33 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.860 114.5 48.9 -64.4 -31.9 47.9 39.0 11.1 119 119 A R H X S+ 0 0 13 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.932 109.1 49.7 -75.1 -45.2 45.9 38.8 14.3 120 120 A L H X S+ 0 0 19 -4,-3.6 4,-2.3 2,-0.2 -2,-0.2 0.916 108.4 56.4 -57.7 -40.1 49.0 38.4 16.6 121 121 A A H X S+ 0 0 53 -4,-2.6 4,-1.4 -5,-0.3 -2,-0.2 0.967 110.9 42.5 -56.5 -54.1 50.5 41.5 14.8 122 122 A A H X S+ 0 0 38 -4,-1.8 4,-1.3 1,-0.2 -1,-0.2 0.892 111.2 56.2 -58.8 -41.9 47.5 43.7 15.6 123 123 A C H < S+ 0 0 2 -4,-2.7 3,-0.3 2,-0.2 -1,-0.2 0.928 102.0 55.5 -61.3 -44.4 47.3 42.3 19.2 124 124 A R H < S+ 0 0 163 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.963 110.6 43.7 -49.0 -58.5 50.9 43.2 20.2 125 125 A Q H < S+ 0 0 181 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.756 134.1 21.7 -64.0 -21.7 50.4 46.9 19.2 126 126 A A S < S- 0 0 64 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 -0.621 85.7-157.9-148.7 85.2 47.0 46.8 21.0 127 127 A P - 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