==== 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 4KLV . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR K.A.MAJOREK,M.CHRUSZCZ,A.JOACHIMIAK,W.MINOR,MIDWEST CENTER F . 159 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8654.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 114 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 43 27.0 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 . 8 5.0 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 . 40 25.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.3 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 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 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 1 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,-0.7 0, 0.0 56,-0.0 0.000 360.0 360.0 360.0 110.9 2.4 -29.3 -14.2 2 2 A Q - 0 0 166 2,-0.0 56,-0.5 0, 0.0 2,-0.3 -0.764 360.0-173.4-110.9 85.6 5.2 -31.3 -12.5 3 3 A L E +A 57 0A 38 -2,-0.7 2,-0.3 54,-0.1 54,-0.2 -0.577 13.2 172.3 -89.8 142.7 7.7 -28.5 -11.5 4 4 A S E -A 56 0A 60 52,-2.3 52,-2.6 -2,-0.3 2,-0.3 -0.826 14.6-147.9-131.8 169.3 11.2 -28.9 -10.0 5 5 A H E +A 55 0A 98 -2,-0.3 50,-0.2 50,-0.2 48,-0.0 -0.976 18.8 161.4-139.9 157.8 13.9 -26.4 -9.4 6 6 A R E -A 54 0A 73 48,-1.7 48,-2.8 -2,-0.3 3,-0.1 -0.964 49.6 -73.1-161.1 163.8 17.7 -26.1 -9.2 7 7 A P E -A 53 0A 94 0, 0.0 46,-0.3 0, 0.0 45,-0.1 -0.327 61.5 -98.1 -58.1 146.4 20.3 -23.4 -9.3 8 8 A A - 0 0 26 44,-2.4 2,-0.3 2,-0.0 44,-0.1 -0.367 42.4-158.9 -64.1 147.2 20.8 -21.8 -12.8 9 9 A E >> - 0 0 111 -3,-0.1 3,-1.9 1,-0.1 4,-0.5 -0.825 31.6-105.2-126.2 158.3 23.6 -23.2 -14.8 10 10 A T G >4 S+ 0 0 119 1,-0.3 3,-1.7 -2,-0.3 4,-0.4 0.884 118.8 60.7 -47.0 -43.5 25.6 -21.8 -17.8 11 11 A G G 34 S+ 0 0 66 1,-0.3 4,-0.4 2,-0.1 -1,-0.3 0.665 99.0 56.1 -64.6 -19.7 23.8 -24.1 -20.1 12 12 A D G <> S+ 0 0 13 -3,-1.9 4,-2.6 1,-0.1 -1,-0.3 0.603 83.9 89.9 -83.0 -16.0 20.5 -22.5 -19.2 13 13 A L H S+ 0 0 140 -4,-0.4 4,-1.0 1,-0.2 -1,-0.2 0.913 113.9 48.1 -61.8 -43.6 20.5 -19.0 -23.8 15 15 A T H >4 S+ 0 0 70 -4,-0.4 3,-0.9 2,-0.2 4,-0.2 0.957 115.0 44.1 -58.0 -53.7 17.1 -20.4 -23.0 16 16 A V H >< S+ 0 0 1 -4,-2.6 3,-2.2 1,-0.2 -2,-0.2 0.913 107.9 57.6 -62.3 -39.9 16.4 -18.0 -20.2 17 17 A A H 3< S+ 0 0 12 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.752 101.0 60.8 -65.9 -16.3 17.7 -15.0 -22.3 18 18 A G T << S+ 0 0 40 -4,-1.0 -1,-0.3 -3,-0.9 -2,-0.2 0.461 83.8 84.2 -80.2 -8.3 15.1 -16.0 -24.9 19 19 A F < + 0 0 7 -3,-2.2 2,-0.3 -4,-0.2 -1,-0.2 0.937 66.7 79.3 -70.3 -46.9 12.2 -15.5 -22.5 20 20 A P - 0 0 13 0, 0.0 17,-0.2 0, 0.0 3,-0.1 -0.479 59.6-170.5 -65.7 127.0 11.5 -11.7 -22.8 21 21 A Q + 0 0 102 -2,-0.3 2,-0.3 1,-0.1 -2,-0.0 0.572 61.7 6.1 -98.6 -12.8 9.5 -11.2 -26.0 22 22 A D S > S- 0 0 66 1,-0.1 4,-2.2 14,-0.0 5,-0.2 -0.961 85.1 -87.8-158.6 175.2 9.6 -7.5 -26.3 23 23 A R H > S+ 0 0 162 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 0.833 122.7 54.1 -63.6 -32.3 11.1 -4.4 -24.8 24 24 A D H > S+ 0 0 95 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.946 108.3 48.2 -66.6 -50.4 8.3 -4.1 -22.3 25 25 A E H > S+ 0 0 47 1,-0.2 4,-1.2 2,-0.2 -2,-0.2 0.903 112.8 48.5 -57.0 -43.3 8.8 -7.6 -21.0 26 26 A L H X S+ 0 0 4 -4,-2.2 4,-1.8 2,-0.2 3,-0.5 0.938 111.7 50.2 -64.0 -46.2 12.5 -7.0 -20.7 27 27 A F H < S+ 0 0 21 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.921 106.6 54.8 -59.4 -39.4 11.9 -3.7 -18.9 28 28 A Y H < S+ 0 0 65 -4,-2.6 90,-0.3 1,-0.2 -1,-0.2 0.787 120.5 30.4 -68.5 -30.0 9.5 -5.3 -16.4 29 29 A C H < S+ 0 0 18 -4,-1.2 51,-1.0 -3,-0.5 -1,-0.2 0.548 139.3 13.8-104.5 -10.4 12.0 -8.0 -15.3 30 30 A Y >< + 0 0 22 -4,-1.8 3,-1.7 -3,-0.2 -1,-0.2 -0.490 63.6 180.0-165.3 70.4 15.3 -6.2 -15.8 31 31 A P T 3 S+ 0 0 60 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.749 81.2 56.2 -66.8 -18.0 14.9 -2.4 -16.2 32 32 A K T 3 S+ 0 0 109 -5,-0.1 -5,-0.1 2,-0.1 -2,-0.0 0.608 88.3 102.2 -82.2 -15.3 18.7 -1.7 -16.6 33 33 A A < - 0 0 14 -3,-1.7 2,-0.4 -7,-0.2 4,-0.1 -0.279 67.3-134.1 -68.3 157.4 19.0 -4.1 -19.5 34 34 A I - 0 0 126 2,-0.2 7,-0.1 4,-0.0 4,-0.1 -0.908 34.5 -85.2-114.3 136.2 19.2 -3.0 -23.1 35 35 A W S S+ 0 0 81 -2,-0.4 2,-0.1 2,-0.1 -12,-0.0 -0.716 108.1 50.9 -82.0 134.8 17.2 -4.5 -25.9 36 36 A P S S- 0 0 93 0, 0.0 -2,-0.2 0, 0.0 -1,-0.1 0.486 89.9-140.4 -80.8 148.9 18.0 -6.9 -27.5 37 37 A F - 0 0 27 -17,-0.2 2,-0.3 -20,-0.1 -2,-0.1 -0.232 23.7-172.8 -70.6 161.0 18.7 -9.0 -24.5 38 38 A S > - 0 0 44 1,-0.1 4,-2.1 -4,-0.1 5,-0.2 -0.984 39.9-107.9-152.5 161.0 21.7 -11.3 -24.5 39 39 A V H > S+ 0 0 54 -2,-0.3 4,-3.4 1,-0.2 5,-0.3 0.910 117.9 57.2 -60.2 -40.9 23.4 -14.0 -22.6 40 40 A A H > S+ 0 0 70 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.912 107.3 47.6 -60.2 -42.5 26.2 -11.6 -21.6 41 41 A Q H > S+ 0 0 42 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.919 113.9 47.8 -66.5 -38.9 23.6 -9.2 -20.0 42 42 A L H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.944 111.7 49.2 -67.7 -43.3 22.0 -12.1 -18.2 43 43 A A H X S+ 0 0 39 -4,-3.4 4,-2.4 1,-0.2 -1,-0.2 0.871 107.8 54.6 -65.8 -34.2 25.3 -13.5 -16.9 44 44 A A H X S+ 0 0 57 -4,-2.1 4,-1.2 -5,-0.3 -1,-0.2 0.902 109.5 47.7 -65.9 -40.5 26.3 -10.1 -15.7 45 45 A A H >X S+ 0 0 0 -4,-1.8 4,-0.8 2,-0.2 3,-0.7 0.952 110.9 51.6 -62.3 -48.4 23.1 -9.8 -13.6 46 46 A I H >< S+ 0 0 48 -4,-2.6 3,-1.1 1,-0.3 -2,-0.2 0.926 106.2 54.6 -55.3 -42.3 23.7 -13.3 -12.2 47 47 A A H 3< S+ 0 0 81 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.782 114.1 39.9 -68.2 -29.8 27.2 -12.4 -11.2 48 48 A E H << S+ 0 0 135 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.399 114.5 59.4-100.6 7.7 26.0 -9.4 -9.1 49 49 A R S << S- 0 0 32 -3,-1.1 2,-0.3 -4,-0.8 19,-0.2 -0.446 74.3-124.9-118.5-175.5 23.0 -11.0 -7.7 50 50 A R E S+ B 0 67A 111 17,-2.0 17,-3.0 -2,-0.2 19,-0.1 -0.964 73.5 23.8-134.0 154.6 22.2 -14.1 -5.5 51 51 A G E - 0 0 26 -2,-0.3 2,-0.3 1,-0.2 14,-0.1 0.725 62.1-175.5 72.5 31.5 20.0 -17.1 -5.7 52 52 A S E + 0 0 16 -6,-0.2 -44,-2.4 15,-0.1 2,-0.3 -0.417 16.4 175.1 -66.8 122.0 19.6 -17.5 -9.5 53 53 A T E -AB 7 65A 11 12,-2.4 12,-1.6 -2,-0.3 2,-0.3 -0.956 22.3-150.4-136.3 142.3 17.2 -20.4 -9.8 54 54 A V E -AB 6 64A 0 -48,-2.8 -48,-1.7 -2,-0.3 2,-0.4 -0.864 9.1-142.1-112.9 150.7 15.4 -22.1 -12.6 55 55 A A E -AB 5 63A 0 8,-1.9 7,-3.0 -2,-0.3 8,-1.4 -0.929 21.1-162.9-106.3 136.3 12.1 -24.0 -12.7 56 56 A V E +AB 4 61A 21 -52,-2.6 -52,-2.3 -2,-0.4 2,-0.3 -0.942 14.5 173.8-125.6 138.1 11.9 -27.1 -14.9 57 57 A H E > S-AB 3 60A 45 3,-2.2 3,-1.9 -2,-0.4 -54,-0.1 -0.976 74.0 -8.6-144.4 131.8 8.9 -29.1 -16.2 58 58 A D T 3 S- 0 0 136 -56,-0.5 3,-0.1 -2,-0.3 -55,-0.1 0.888 130.7 -53.2 50.9 41.1 9.0 -32.0 -18.7 59 59 A G T 3 S+ 0 0 75 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.576 114.6 114.4 74.3 13.4 12.7 -31.4 -19.2 60 60 A Q E < -B 57 0A 115 -3,-1.9 -3,-2.2 0, 0.0 2,-0.6 -0.945 67.8-127.6-120.2 133.1 12.3 -27.8 -20.1 61 61 A V E +B 56 0A 21 -2,-0.4 -5,-0.3 -5,-0.2 3,-0.1 -0.702 37.8 165.6 -72.3 119.6 13.5 -24.7 -18.3 62 62 A L E + 0 0 11 -7,-3.0 22,-2.7 -2,-0.6 2,-0.3 0.532 52.9 26.3-115.0 -16.7 10.4 -22.6 -18.0 63 63 A G E -BC 55 83A 0 -8,-1.4 -8,-1.9 20,-0.2 2,-0.3 -0.990 51.7-170.9-152.9 158.7 11.2 -20.0 -15.4 64 64 A F E +BC 54 82A 2 18,-2.0 18,-2.3 -2,-0.3 2,-0.3 -0.987 12.8 158.3-148.2 145.9 14.0 -18.0 -13.8 65 65 A A E +B 53 0A 0 -12,-1.6 -12,-2.4 -2,-0.3 2,-0.3 -0.975 5.6 172.6-160.0 162.8 14.4 -15.7 -10.8 66 66 A N E - C 0 79A 0 13,-2.1 13,-2.9 -2,-0.3 2,-0.4 -0.900 34.6 -94.8-153.4-176.5 17.0 -14.3 -8.4 67 67 A F E -BC 50 78A 0 -17,-3.0 -17,-2.0 -2,-0.3 11,-0.2 -0.952 21.8-178.6-107.7 131.4 17.5 -11.7 -5.6 68 68 A Y E S+ 0 0 86 9,-2.1 2,-0.3 -2,-0.4 10,-0.1 0.541 80.6 34.6-103.1 -8.2 18.9 -8.2 -6.3 69 69 A Q E + C 0 77A 82 8,-1.0 8,-2.4 45,-0.1 2,-0.3 -0.989 66.3 170.9-134.8 146.9 18.8 -7.2 -2.7 70 70 A W E + C 0 76A 65 -2,-0.3 2,-0.4 6,-0.2 6,-0.2 -0.974 6.9 177.6-154.0 131.4 19.5 -9.5 0.3 71 71 A Q E >> - C 0 75A 108 4,-2.2 3,-2.3 -2,-0.3 4,-1.1 -0.898 34.5-120.9-141.2 107.3 20.0 -8.5 3.9 72 72 A H T 34 S+ 0 0 131 -2,-0.4 37,-0.2 1,-0.3 36,-0.1 -0.207 95.8 9.0 -55.5 131.7 20.5 -11.3 6.3 73 73 A G T 34 S+ 0 0 28 35,-3.3 -1,-0.3 1,-0.1 36,-0.2 0.439 130.7 57.1 80.3 4.4 17.9 -11.4 9.1 74 74 A D T <4 S- 0 0 85 -3,-2.3 37,-2.0 34,-0.4 38,-0.9 0.610 101.4 -44.1-131.0 -82.2 15.8 -8.8 7.3 75 75 A F E < -Cd 71 112A 23 -4,-1.1 -4,-2.2 35,-0.2 2,-0.3 -0.984 29.7-142.5-156.0 163.0 14.6 -9.2 3.7 76 76 A C E -Cd 70 113A 0 36,-1.5 38,-2.9 -2,-0.3 2,-0.5 -0.942 17.5-141.0-125.0 158.7 15.3 -10.2 0.1 77 77 A A E -Cd 69 114A 2 -8,-2.4 -9,-2.1 -2,-0.3 -8,-1.0 -0.984 18.7-135.9-120.4 122.1 14.0 -8.4 -3.0 78 78 A L E +C 67 0A 8 36,-2.3 38,-0.5 -2,-0.5 2,-0.3 -0.583 33.5 158.7 -76.4 138.1 13.0 -10.6 -6.0 79 79 A G E +C 66 0A 11 -13,-2.9 -13,-2.1 -2,-0.3 3,-0.1 -0.882 43.2 43.4-149.2-179.6 14.1 -9.8 -9.5 80 80 A N E + 0 0 1 -51,-1.0 2,-0.7 -2,-0.3 -1,-0.1 0.799 64.4 175.6 49.9 38.8 14.6 -11.0 -13.0 81 81 A M E + 0 0 30 -53,-0.2 2,-0.4 -16,-0.1 -16,-0.2 -0.618 8.9 166.6 -76.9 113.3 11.4 -13.0 -12.8 82 82 A M E -C 64 0A 8 -18,-2.3 -18,-2.0 -2,-0.7 2,-0.4 -0.982 20.3-167.4-134.3 146.4 11.0 -14.5 -16.3 83 83 A V E -C 63 0A 19 -2,-0.4 -20,-0.2 -20,-0.2 5,-0.1 -0.972 33.7-101.6-135.2 138.9 8.8 -17.2 -17.7 84 84 A A > - 0 0 10 -22,-2.7 3,-1.9 -2,-0.4 -65,-0.1 -0.326 32.9-123.2 -56.5 142.1 9.0 -19.1 -21.1 85 85 A P G > S+ 0 0 62 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 0.816 110.2 52.7 -64.6 -26.3 6.4 -17.7 -23.6 86 86 A A G 3 S+ 0 0 102 1,-0.2 -2,-0.1 0, 0.0 -24,-0.0 0.546 110.1 50.9 -82.2 -6.3 4.8 -21.1 -24.2 87 87 A A G X S+ 0 0 4 -3,-1.9 3,-1.0 -25,-0.1 5,-0.5 0.048 75.7 136.7-120.3 23.4 4.3 -21.6 -20.4 88 88 A R T < S+ 0 0 97 -3,-0.9 -4,-0.0 1,-0.2 -26,-0.0 -0.506 71.6 14.7 -74.1 139.9 2.7 -18.3 -19.4 89 89 A G T 3 S+ 0 0 87 -2,-0.2 -1,-0.2 1,-0.1 -2,-0.0 0.604 93.9 109.0 79.3 11.8 -0.2 -18.5 -16.9 90 90 A L S < S- 0 0 87 -3,-1.0 -2,-0.1 0, 0.0 -1,-0.1 0.285 97.7 -94.8-104.7 8.4 0.5 -22.1 -15.9 91 91 A G S > S+ 0 0 31 -4,-0.1 4,-2.4 3,-0.0 5,-0.2 0.503 86.8 125.4 92.9 6.8 1.8 -21.5 -12.4 92 92 A V H > S+ 0 0 3 -5,-0.5 4,-2.6 2,-0.2 5,-0.2 0.936 78.2 42.5 -66.2 -46.6 5.5 -21.3 -13.1 93 93 A A H > S+ 0 0 18 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.929 114.0 51.6 -66.4 -41.0 6.0 -17.8 -11.6 94 94 A R H > S+ 0 0 116 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.924 112.6 47.9 -59.4 -45.4 3.8 -18.7 -8.6 95 95 A Y H X S+ 0 0 65 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.948 113.3 45.5 -57.8 -51.1 5.9 -21.9 -8.1 96 96 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.884 108.4 56.4 -68.7 -37.7 9.2 -20.1 -8.4 97 97 A I H X S+ 0 0 1 -4,-3.0 4,-2.5 2,-0.2 -1,-0.2 0.919 107.4 50.0 -57.2 -41.9 8.2 -17.3 -6.0 98 98 A G H X S+ 0 0 24 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.913 110.4 49.9 -64.6 -39.9 7.3 -19.9 -3.4 99 99 A V H X S+ 0 0 19 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.928 111.9 48.0 -60.0 -41.6 10.8 -21.5 -3.9 100 100 A M H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.835 107.5 55.3 -71.7 -36.4 12.4 -18.1 -3.6 101 101 A E H X S+ 0 0 16 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.896 110.0 47.5 -58.4 -48.1 10.4 -17.3 -0.4 102 102 A N H X S+ 0 0 64 -4,-2.1 4,-2.8 2,-0.2 5,-0.3 0.905 111.6 49.7 -58.8 -44.2 11.7 -20.6 1.1 103 103 A L H X>S+ 0 0 41 -4,-2.4 4,-2.6 1,-0.2 5,-1.0 0.917 110.5 49.8 -62.5 -41.6 15.3 -19.7 0.1 104 104 A A H X5S+ 0 0 0 -4,-2.6 6,-2.3 1,-0.2 4,-0.8 0.918 116.1 43.5 -60.9 -46.2 15.0 -16.2 1.6 105 105 A R H X5S+ 0 0 57 -4,-2.3 4,-0.6 4,-0.2 -2,-0.2 0.901 122.0 37.3 -60.5 -49.7 13.7 -17.7 4.9 106 106 A E H <5S+ 0 0 129 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.927 128.5 27.0 -80.3 -48.7 16.1 -20.5 5.1 107 107 A Q H <5S+ 0 0 109 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.1 0.871 134.1 28.6 -81.9 -41.6 19.4 -19.1 3.7 108 108 A Y H < - 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