==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 07-MAY-13 4KLW . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR K.A.MAJOREK,P.J.POREBSKI,M.CHRUSZCZ,A.JOACHIMIAK,W.MINOR,MID . 159 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8599.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 112 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 26.4 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 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 6 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 39 24.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.9 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 1 0 1 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 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 PARALLEL BRIDGES PER LADDER . 0 0 0 1 0 1 2 1 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 1 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 0 104 0, 0.0 2,-0.5 0, 0.0 56,-0.0 0.000 360.0 360.0 360.0 109.0 -26.1 29.1 -5.0 2 2 A Q - 0 0 147 2,-0.0 56,-0.5 0, 0.0 2,-0.2 -0.717 360.0-168.3-118.5 88.0 -23.3 31.0 -6.9 3 3 A L + 0 0 40 -2,-0.5 2,-0.3 54,-0.1 54,-0.2 -0.408 15.6 170.3 -94.5 141.0 -20.8 28.4 -8.1 4 4 A S E -A 56 0A 61 52,-2.1 52,-2.7 -2,-0.2 2,-0.3 -0.853 16.1-148.0-128.9 171.2 -17.3 28.8 -9.5 5 5 A H E +A 55 0A 99 -2,-0.3 50,-0.2 50,-0.2 48,-0.0 -0.973 19.6 160.2-142.4 156.1 -14.6 26.2 -10.2 6 6 A R E -A 54 0A 75 48,-1.7 48,-2.7 -2,-0.3 3,-0.1 -0.963 50.1 -72.9-161.0 162.2 -10.8 26.0 -10.3 7 7 A P E -A 53 0A 96 0, 0.0 46,-0.3 0, 0.0 45,-0.1 -0.357 60.9 -97.8 -57.2 147.4 -8.2 23.2 -10.2 8 8 A A - 0 0 26 44,-2.4 2,-0.3 1,-0.0 44,-0.1 -0.334 41.6-157.9 -64.0 147.1 -7.8 21.6 -6.8 9 9 A E > - 0 0 110 -3,-0.1 3,-2.2 1,-0.1 4,-0.5 -0.834 31.0-106.5-124.7 161.8 -4.9 23.0 -4.7 10 10 A T G > S+ 0 0 119 1,-0.3 3,-1.6 -2,-0.3 4,-0.4 0.878 119.1 60.5 -59.7 -34.7 -2.9 21.5 -1.7 11 11 A G G 3 S+ 0 0 67 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.659 99.3 57.4 -67.1 -14.0 -4.7 23.8 0.6 12 12 A D G <> S+ 0 0 14 -3,-2.2 4,-2.5 1,-0.1 -1,-0.3 0.570 83.9 87.8 -83.9 -16.9 -8.1 22.3 -0.4 13 13 A L H <> S+ 0 0 27 -3,-1.6 4,-2.8 -4,-0.5 5,-0.2 0.859 83.7 48.8 -59.7 -45.4 -7.1 18.7 0.6 14 14 A E H > S+ 0 0 146 -4,-0.4 4,-0.9 2,-0.2 -1,-0.2 0.940 114.9 47.1 -63.7 -40.5 -8.1 18.7 4.3 15 15 A T H >4 S+ 0 0 68 -4,-0.3 3,-0.9 1,-0.2 4,-0.2 0.963 115.4 43.9 -61.4 -51.0 -11.5 20.1 3.4 16 16 A V H >< S+ 0 0 1 -4,-2.5 3,-2.2 1,-0.3 -2,-0.2 0.909 108.4 57.6 -66.5 -40.4 -12.2 17.7 0.6 17 17 A A H 3< S+ 0 0 12 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.734 101.8 60.0 -62.7 -20.1 -10.9 14.7 2.5 18 18 A G T << S+ 0 0 42 -3,-0.9 -1,-0.3 -4,-0.9 -2,-0.2 0.493 82.7 85.0 -80.7 -5.8 -13.5 15.6 5.1 19 19 A F < + 0 0 9 -3,-2.2 2,-0.3 -4,-0.2 -1,-0.2 0.934 68.2 77.9 -70.9 -43.5 -16.4 15.2 2.7 20 20 A P - 0 0 11 0, 0.0 17,-0.2 0, 0.0 3,-0.1 -0.486 63.9-165.2 -71.5 128.6 -17.0 11.4 2.9 21 21 A Q + 0 0 100 -2,-0.3 2,-0.3 1,-0.1 -2,-0.0 0.617 60.8 1.5 -92.7 -15.7 -18.9 10.9 6.1 22 22 A D S > S- 0 0 68 1,-0.0 4,-2.3 14,-0.0 5,-0.2 -0.952 85.5 -83.5-158.3 176.3 -18.6 7.1 6.6 23 23 A R H > S+ 0 0 152 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.828 123.9 53.6 -58.0 -37.6 -17.1 4.0 5.1 24 24 A D H > S+ 0 0 81 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.943 108.6 47.9 -66.7 -49.6 -20.0 3.6 2.7 25 25 A E H > S+ 0 0 51 1,-0.2 4,-1.1 2,-0.2 -2,-0.2 0.904 112.5 49.9 -58.9 -38.8 -19.7 7.1 1.3 26 26 A L H >X S+ 0 0 4 -4,-2.3 4,-2.1 1,-0.2 3,-0.7 0.933 110.5 50.5 -64.0 -46.4 -15.9 6.7 0.9 27 27 A F H 3< S+ 0 0 16 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.900 106.6 54.8 -57.5 -43.4 -16.5 3.4 -0.9 28 28 A Y H 3< S+ 0 0 64 -4,-2.5 90,-0.4 1,-0.2 -1,-0.2 0.720 120.5 29.7 -69.3 -23.2 -19.0 5.0 -3.3 29 29 A C H << S+ 0 0 22 -4,-1.1 51,-0.9 -3,-0.7 -1,-0.2 0.525 139.6 15.3-110.2 -8.5 -16.6 7.7 -4.4 30 30 A Y >< + 0 0 20 -4,-2.1 3,-1.9 -5,-0.2 -2,-0.2 -0.478 63.0 178.0-162.6 74.4 -13.3 6.0 -4.0 31 31 A P T 3 S+ 0 0 61 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.729 80.7 57.1 -66.0 -21.3 -13.6 2.2 -3.7 32 32 A K T 3 S+ 0 0 135 -5,-0.1 -5,-0.1 2,-0.1 -2,-0.0 0.631 89.4 96.0 -78.4 -17.1 -9.8 1.6 -3.5 33 33 A A S < S- 0 0 17 -3,-1.9 2,-0.4 -7,-0.2 4,-0.1 -0.257 70.3-131.8 -70.2 164.4 -9.4 3.9 -0.5 34 34 A I - 0 0 125 2,-0.2 7,-0.1 4,-0.0 -2,-0.1 -0.954 36.0 -83.8-120.6 133.1 -9.3 2.7 3.0 35 35 A W S S+ 0 0 80 -2,-0.4 2,-0.1 2,-0.1 -12,-0.0 -0.676 107.7 51.7 -75.3 134.3 -11.4 4.2 5.8 36 36 A P S S- 0 0 91 0, 0.0 -2,-0.2 0, 0.0 -1,-0.0 0.466 87.7-142.0 -83.1 147.9 -10.5 6.7 7.4 37 37 A F - 0 0 24 -17,-0.2 2,-0.3 -20,-0.1 3,-0.1 -0.216 24.1-175.3 -67.9 162.8 -9.9 8.9 4.5 38 38 A S > - 0 0 42 1,-0.1 4,-2.3 -3,-0.0 5,-0.2 -0.990 41.7-106.0-156.4 160.0 -6.9 11.2 4.7 39 39 A V H > S+ 0 0 47 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.870 118.3 56.2 -59.3 -36.8 -5.1 14.0 2.9 40 40 A A H > S+ 0 0 70 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.917 108.8 46.4 -65.4 -42.7 -2.3 11.6 1.9 41 41 A Q H > S+ 0 0 50 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.910 114.3 48.4 -66.4 -40.4 -4.8 9.2 0.2 42 42 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.930 111.4 48.9 -64.8 -46.8 -6.5 12.1 -1.6 43 43 A A H X S+ 0 0 39 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.872 108.8 54.0 -62.2 -35.9 -3.2 13.5 -2.8 44 44 A A H X S+ 0 0 53 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.899 109.6 48.0 -65.0 -38.9 -2.1 10.1 -4.0 45 45 A A H X S+ 0 0 0 -4,-1.9 4,-0.9 1,-0.2 3,-0.4 0.944 111.2 50.7 -63.5 -48.6 -5.3 9.8 -6.1 46 46 A I H >< S+ 0 0 46 -4,-2.6 3,-0.9 1,-0.2 -2,-0.2 0.927 107.3 54.2 -55.9 -43.9 -4.8 13.3 -7.5 47 47 A A H 3< S+ 0 0 81 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.814 113.7 40.3 -65.3 -33.1 -1.3 12.5 -8.5 48 48 A E H 3< S+ 0 0 128 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.471 115.0 58.1 -97.9 5.4 -2.3 9.5 -10.5 49 49 A R S << S- 0 0 33 -3,-0.9 2,-0.3 -4,-0.9 19,-0.2 -0.377 75.3-120.1-116.1-172.4 -5.4 11.0 -12.0 50 50 A R E S+ B 0 67A 106 17,-1.8 17,-2.9 -2,-0.1 19,-0.1 -0.967 74.6 19.9-132.2 153.5 -6.3 14.0 -14.2 51 51 A G E - 0 0 23 -2,-0.3 2,-0.4 1,-0.2 14,-0.1 0.769 62.2-174.3 70.2 32.5 -8.4 17.1 -14.0 52 52 A S E + 0 0 15 -6,-0.2 -44,-2.4 14,-0.1 2,-0.3 -0.464 16.2 177.1 -68.1 121.3 -8.9 17.4 -10.2 53 53 A T E -AB 7 65A 10 12,-2.7 12,-1.7 -2,-0.4 2,-0.3 -0.943 21.7-152.0-134.8 138.1 -11.3 20.3 -9.8 54 54 A V E -AB 6 64A 0 -48,-2.7 -48,-1.7 -2,-0.3 2,-0.4 -0.884 10.1-141.8-109.5 150.0 -13.1 22.0 -6.9 55 55 A A E -AB 5 63A 0 8,-2.0 7,-3.0 -2,-0.3 8,-1.4 -0.923 21.0-163.0-105.8 134.8 -16.4 23.8 -6.9 56 56 A V E +AB 4 61A 22 -52,-2.7 -52,-2.1 -2,-0.4 2,-0.3 -0.937 14.3 173.6-123.7 136.2 -16.6 26.9 -4.8 57 57 A H E > S- B 0 60A 35 3,-2.4 3,-1.9 -2,-0.4 -54,-0.1 -0.976 73.3 -8.0-143.0 132.8 -19.6 28.9 -3.4 58 58 A D T 3 S- 0 0 130 -56,-0.5 3,-0.1 -2,-0.3 -55,-0.1 0.886 130.5 -52.2 48.7 45.0 -19.5 31.8 -1.0 59 59 A G T 3 S+ 0 0 66 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.561 115.4 112.9 75.7 6.1 -15.8 31.3 -0.3 60 60 A Q E < -B 57 0A 125 -3,-1.9 -3,-2.4 0, 0.0 2,-0.7 -0.941 68.6-127.6-114.5 136.4 -16.2 27.5 0.5 61 61 A V E +B 56 0A 19 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.730 37.8 165.7 -74.7 119.6 -15.0 24.4 -1.4 62 62 A L E + 0 0 24 -7,-3.0 22,-2.5 -2,-0.7 2,-0.3 0.545 53.7 23.4-114.6 -14.7 -18.2 22.4 -1.7 63 63 A G E -BC 55 83A 0 -8,-1.4 -8,-2.0 20,-0.2 2,-0.3 -0.989 52.7-168.1-154.7 159.2 -17.3 19.8 -4.2 64 64 A F E +BC 54 82A 2 18,-2.3 18,-2.4 -2,-0.3 2,-0.3 -0.991 13.0 160.2-145.7 146.0 -14.5 17.9 -5.9 65 65 A A E +B 53 0A 0 -12,-1.7 -12,-2.7 -2,-0.3 2,-0.3 -0.973 5.1 173.2-157.4 164.9 -14.1 15.6 -8.9 66 66 A N E - C 0 79A 0 13,-2.2 13,-3.0 -2,-0.3 2,-0.5 -0.886 35.1 -96.0-155.8-178.2 -11.5 14.2 -11.3 67 67 A F E -BC 50 78A 0 -17,-2.9 -17,-1.8 -2,-0.3 11,-0.2 -0.952 21.7-176.6-106.6 129.9 -11.0 11.8 -14.1 68 68 A Y E S+ 0 0 77 9,-2.1 2,-0.3 -2,-0.5 10,-0.1 0.579 80.3 32.5-100.4 -7.6 -9.7 8.3 -13.4 69 69 A Q E + C 0 77A 83 8,-1.2 8,-2.4 45,-0.1 2,-0.3 -0.992 65.1 173.6-138.0 148.2 -9.6 7.4 -17.1 70 70 A W E + C 0 76A 61 -2,-0.3 2,-0.3 6,-0.2 6,-0.2 -0.972 4.0 176.6-153.0 128.8 -8.8 9.6 -20.0 71 71 A Q E >> - C 0 75A 107 4,-2.0 3,-2.3 -2,-0.3 4,-1.0 -0.888 34.1-120.9-142.2 106.8 -8.4 8.6 -23.7 72 72 A H T 34 S+ 0 0 127 -2,-0.3 37,-0.2 1,-0.3 36,-0.1 -0.182 95.0 7.4 -54.3 134.2 -7.9 11.3 -26.2 73 73 A G T 34 S+ 0 0 27 35,-3.1 -1,-0.3 1,-0.1 36,-0.1 0.439 131.2 58.6 78.8 0.6 -10.5 11.4 -28.9 74 74 A D T <4 S- 0 0 86 -3,-2.3 37,-2.0 34,-0.4 38,-1.0 0.674 100.9 -47.5-128.6 -82.7 -12.5 8.8 -27.1 75 75 A F E < -Cd 71 112A 23 -4,-1.0 -4,-2.0 35,-0.2 2,-0.3 -0.977 29.2-141.6-155.6 165.7 -13.8 9.2 -23.5 76 76 A C E -Cd 70 113A 0 36,-1.4 38,-2.9 -2,-0.3 2,-0.5 -0.939 17.7-139.6-127.4 157.6 -13.1 10.2 -20.0 77 77 A A E -Cd 69 114A 0 -8,-2.4 -9,-2.1 -2,-0.3 -8,-1.2 -0.986 18.3-133.6-118.7 123.4 -14.3 8.5 -16.8 78 78 A L E +Cd 67 115A 12 36,-2.4 38,-0.5 -2,-0.5 2,-0.3 -0.618 33.6 168.5 -78.3 137.5 -15.4 10.7 -13.9 79 79 A G E +C 66 0A 9 -13,-3.0 -13,-2.2 -2,-0.3 3,-0.2 -0.855 43.2 32.0-141.2 172.1 -14.2 9.8 -10.5 80 80 A N E - 0 0 4 -51,-0.9 2,-0.7 -2,-0.3 -1,-0.1 0.778 63.8-179.9 52.0 36.7 -13.9 10.8 -6.9 81 81 A M E + 0 0 33 -53,-0.1 2,-0.4 -52,-0.1 -16,-0.2 -0.588 10.4 167.2 -73.0 111.9 -17.2 12.9 -7.0 82 82 A M E -C 64 0A 7 -18,-2.4 -18,-2.3 -2,-0.7 2,-0.4 -0.988 17.6-171.6-134.6 140.5 -17.5 14.3 -3.5 83 83 A V E -C 63 0A 17 -2,-0.4 -20,-0.2 -20,-0.2 5,-0.1 -0.986 34.1-103.7-134.6 140.0 -19.7 17.0 -2.0 84 84 A A > - 0 0 13 -22,-2.5 3,-1.8 -2,-0.4 4,-0.4 -0.332 35.4-121.6 -55.5 133.4 -19.7 18.7 1.4 85 85 A P G > S+ 0 0 58 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.878 110.7 51.3 -48.6 -45.7 -22.6 17.3 3.6 86 86 A A G 3 S+ 0 0 99 1,-0.3 -2,-0.1 3,-0.0 -24,-0.0 0.680 110.1 51.6 -69.1 -17.7 -24.3 20.7 4.1 87 87 A A G X >S+ 0 0 5 -3,-1.8 3,-1.3 -25,-0.1 5,-0.5 0.373 79.9 126.6-102.9 11.6 -24.3 21.3 0.4 88 88 A R T < 5S+ 0 0 94 -3,-1.8 -4,-0.0 -4,-0.4 -26,-0.0 -0.269 72.7 18.5 -73.2 144.5 -25.8 18.1 -0.7 89 89 A G T 3 5S+ 0 0 86 1,-0.1 -1,-0.2 -2,-0.0 -3,-0.0 0.574 97.4 103.5 81.2 0.7 -28.9 18.2 -3.0 90 90 A L T < 5S- 0 0 94 -3,-1.3 -2,-0.1 0, 0.0 -1,-0.1 0.226 100.3 -93.5-105.8 11.6 -28.1 21.9 -4.0 91 91 A G T >5S+ 0 0 30 -4,-0.1 4,-2.4 3,-0.0 5,-0.2 0.525 87.8 122.9 94.6 4.7 -26.7 21.3 -7.4 92 92 A V H > S+ 0 0 20 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.944 114.7 52.4 -63.8 -42.5 -22.5 17.7 -8.2 94 94 A R H > S+ 0 0 112 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.957 111.8 46.4 -56.1 -44.5 -24.7 18.6 -11.1 95 95 A Y H X S+ 0 0 64 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.945 112.9 48.9 -63.0 -49.8 -22.6 21.8 -11.6 96 96 A L H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.879 106.6 55.3 -64.2 -38.6 -19.3 19.9 -11.4 97 97 A I H X S+ 0 0 1 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.932 108.0 50.1 -60.3 -41.0 -20.4 17.2 -13.8 98 98 A G H X S+ 0 0 26 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.905 111.3 48.6 -60.5 -43.1 -21.1 19.9 -16.4 99 99 A V H X S+ 0 0 18 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.921 112.3 48.2 -63.5 -42.0 -17.7 21.4 -15.8 100 100 A M H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.860 107.3 55.8 -71.3 -34.2 -16.0 18.0 -16.1 101 101 A E H X S+ 0 0 18 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.919 109.9 46.5 -58.5 -46.8 -18.0 17.3 -19.3 102 102 A N H X S+ 0 0 70 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.907 111.7 51.2 -62.5 -38.1 -16.6 20.5 -20.8 103 103 A L H X>S+ 0 0 43 -4,-2.4 4,-3.0 1,-0.2 5,-0.7 0.919 109.0 50.3 -68.2 -40.6 -13.1 19.7 -19.7 104 104 A A H X5S+ 0 0 0 -4,-2.6 6,-2.2 1,-0.2 4,-1.2 0.917 114.4 45.5 -60.7 -44.2 -13.3 16.2 -21.2 105 105 A R H X5S+ 0 0 71 -4,-2.1 4,-0.6 4,-0.3 -2,-0.2 0.900 121.8 36.9 -60.1 -50.3 -14.5 17.8 -24.5 106 106 A E H <5S+ 0 0 113 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.941 126.0 31.8 -74.6 -50.1 -11.9 20.5 -24.4 107 107 A Q H <5S+ 0 0 95 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.1 0.811 135.8 22.2 -79.1 -34.4 -8.8 18.7 -23.0 108 108 A Y H < - 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