==== 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 02-NOV-10 3PGP . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN PA4794; . 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) . 8538.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 111 69.8 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 . 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 . 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 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 0 102 0, 0.0 2,-0.4 0, 0.0 56,-0.0 0.000 360.0 360.0 360.0 88.8 -2.6 28.9 -13.8 2 2 A Q - 0 0 104 0, 0.0 2,-0.3 0, 0.0 56,-0.2 -0.710 360.0-174.4 -73.9 130.2 -5.0 31.0 -11.8 3 3 A L - 0 0 28 -2,-0.4 2,-0.3 54,-0.1 54,-0.2 -0.943 18.2-169.6-134.2 145.2 -8.0 28.7 -11.4 4 4 A S E -A 56 0A 63 52,-2.4 52,-2.8 -2,-0.3 2,-0.3 -0.843 11.2-148.1-123.6 173.2 -11.5 29.0 -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 19.9 158.0-144.0 152.9 -14.2 26.4 -9.3 6 6 A R E -A 54 0A 71 48,-1.5 48,-2.7 -2,-0.3 3,-0.1 -0.960 50.0 -73.2-160.7 162.6 -18.0 26.0 -9.2 7 7 A P E -A 53 0A 95 0, 0.0 46,-0.3 0, 0.0 45,-0.1 -0.301 61.7 -95.4 -57.8 145.8 -20.5 23.2 -9.4 8 8 A A - 0 0 27 44,-2.5 2,-0.3 3,-0.0 44,-0.1 -0.352 42.9-160.3 -64.1 143.2 -20.9 21.7 -12.8 9 9 A E >> - 0 0 112 -3,-0.1 3,-1.4 1,-0.1 4,-0.6 -0.848 31.6-101.5-122.6 162.8 -23.7 23.0 -15.0 10 10 A T G >4 S+ 0 0 125 -2,-0.3 3,-1.6 1,-0.3 4,-0.4 0.872 118.8 54.7 -52.7 -43.4 -25.6 21.7 -18.0 11 11 A G G 34 S+ 0 0 63 1,-0.3 4,-0.5 2,-0.2 3,-0.3 0.760 100.6 61.5 -72.1 -16.4 -23.7 23.7 -20.4 12 12 A D G <> S+ 0 0 11 -3,-1.4 4,-2.4 1,-0.2 -1,-0.3 0.683 84.7 79.2 -73.9 -21.3 -20.4 22.4 -19.2 13 13 A L H S+ 0 0 160 -4,-0.4 4,-0.7 -3,-0.3 -1,-0.2 0.922 113.2 44.2 -59.7 -43.5 -20.4 18.9 -23.7 15 15 A T H >4 S+ 0 0 64 -4,-0.5 3,-1.1 -3,-0.2 4,-0.3 0.946 115.1 47.1 -66.1 -47.6 -16.9 20.2 -23.0 16 16 A V H >< S+ 0 0 0 -4,-2.4 3,-2.1 1,-0.3 -2,-0.2 0.902 105.8 58.6 -65.3 -39.6 -16.3 17.8 -20.1 17 17 A A H 3< S+ 0 0 15 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.733 101.2 58.9 -67.4 -14.1 -17.5 14.8 -22.2 18 18 A G T << S+ 0 0 41 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.488 83.1 86.4 -81.4 -5.6 -14.7 15.8 -24.7 19 19 A F < + 0 0 7 -3,-2.1 2,-0.4 -4,-0.3 -2,-0.1 0.945 69.4 76.0 -69.2 -45.4 -11.9 15.4 -22.1 20 20 A P - 0 0 8 0, 0.0 17,-0.2 0, 0.0 3,-0.1 -0.499 64.3-166.4 -72.5 125.4 -11.3 11.6 -22.5 21 21 A Q + 0 0 101 -2,-0.4 2,-0.3 1,-0.1 -2,-0.0 0.618 61.1 1.2 -88.1 -14.3 -9.3 11.2 -25.7 22 22 A D S > S- 0 0 66 1,-0.0 4,-2.2 14,-0.0 5,-0.2 -0.949 86.1 -82.4-161.3 175.6 -9.5 7.6 -26.2 23 23 A R H > S+ 0 0 158 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.792 123.4 55.0 -60.3 -33.6 -11.0 4.3 -24.8 24 24 A D H > S+ 0 0 95 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.953 107.8 46.8 -68.3 -48.8 -8.1 4.0 -22.3 25 25 A E H > S+ 0 0 45 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.901 113.1 49.6 -60.7 -41.5 -8.6 7.5 -20.8 26 26 A L H X S+ 0 0 4 -4,-2.2 4,-2.0 1,-0.2 3,-0.4 0.946 110.3 50.8 -63.0 -42.0 -12.3 6.9 -20.5 27 27 A F H < S+ 0 0 21 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.912 109.3 52.8 -59.5 -43.4 -11.7 3.5 -18.8 28 28 A Y H < S+ 0 0 54 -4,-2.6 90,-0.3 1,-0.2 -1,-0.2 0.821 120.6 29.1 -65.2 -36.5 -9.3 5.2 -16.3 29 29 A C H < S+ 0 0 20 -4,-1.4 51,-0.9 -3,-0.4 -1,-0.2 0.540 139.5 15.6-103.8 -8.3 -11.7 7.9 -15.2 30 30 A Y >< + 0 0 23 -4,-2.0 3,-1.6 -5,-0.2 -1,-0.2 -0.486 63.8 177.4-162.2 73.4 -15.1 6.1 -15.6 31 31 A P T 3 S+ 0 0 61 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.762 79.5 57.9 -69.0 -17.7 -14.7 2.4 -16.1 32 32 A K T 3 S+ 0 0 111 -5,-0.1 -5,-0.1 2,-0.1 -2,-0.0 0.677 89.0 95.4 -81.8 -13.1 -18.4 1.7 -16.3 33 33 A A < - 0 0 14 -3,-1.6 2,-0.4 -7,-0.2 4,-0.1 -0.266 69.1-136.7 -70.9 160.1 -18.8 4.0 -19.3 34 34 A I - 0 0 128 2,-0.2 7,-0.1 4,-0.0 -2,-0.1 -0.965 36.8 -76.8-119.2 135.7 -18.7 2.7 -22.8 35 35 A W S S+ 0 0 83 -2,-0.4 2,-0.1 2,-0.1 3,-0.0 -0.596 108.5 51.6 -73.3 138.5 -16.8 4.4 -25.7 36 36 A P S S- 0 0 90 0, 0.0 -2,-0.2 0, 0.0 -1,-0.0 0.443 88.2-136.4 -78.3 149.6 -17.7 6.8 -27.1 37 37 A F - 0 0 25 -17,-0.2 2,-0.3 -20,-0.1 3,-0.1 -0.230 27.4-173.7 -69.0 151.1 -18.3 9.0 -24.2 38 38 A S > - 0 0 43 1,-0.1 4,-2.3 -3,-0.0 5,-0.2 -0.990 41.0-111.0-144.3 161.0 -21.4 11.1 -24.3 39 39 A V H > S+ 0 0 61 -2,-0.3 4,-3.5 1,-0.2 5,-0.3 0.918 117.4 58.5 -62.2 -35.7 -23.2 13.7 -22.4 40 40 A A H > S+ 0 0 76 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.920 107.3 46.9 -62.1 -43.2 -25.9 11.2 -21.5 41 41 A Q H > S+ 0 0 45 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.904 115.0 46.4 -66.2 -38.1 -23.3 9.0 -19.8 42 42 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.938 111.6 50.4 -67.5 -47.0 -21.8 12.0 -18.0 43 43 A A H X S+ 0 0 41 -4,-3.5 4,-2.3 1,-0.2 -2,-0.2 0.876 108.7 53.4 -58.1 -36.7 -25.2 13.3 -16.9 44 44 A A H X S+ 0 0 46 -4,-2.0 4,-1.1 -5,-0.3 -1,-0.2 0.909 108.6 48.9 -68.5 -40.0 -26.1 9.8 -15.5 45 45 A A H >X S+ 0 0 0 -4,-1.8 3,-0.9 1,-0.2 4,-0.8 0.948 109.9 51.7 -62.9 -48.0 -22.9 9.7 -13.5 46 46 A I H >< S+ 0 0 45 -4,-2.6 3,-1.1 1,-0.3 -2,-0.2 0.925 107.3 53.6 -53.8 -45.3 -23.6 13.2 -12.1 47 47 A A H 3< S+ 0 0 83 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.739 112.8 42.8 -64.0 -24.8 -27.1 12.2 -11.1 48 48 A E H << S+ 0 0 143 -4,-1.1 -1,-0.3 -3,-0.9 -2,-0.2 0.428 115.3 56.7 -97.7 -3.8 -25.8 9.2 -9.1 49 49 A R S << S- 0 0 40 -3,-1.1 2,-0.3 -4,-0.8 19,-0.2 -0.409 71.7-126.4-119.9-175.0 -22.9 11.0 -7.5 50 50 A R E S+ B 0 67A 109 17,-1.9 17,-2.9 -2,-0.1 19,-0.1 -0.973 75.2 25.3-133.4 154.7 -22.2 14.1 -5.4 51 51 A G E - 0 0 24 -2,-0.3 2,-0.4 1,-0.2 14,-0.1 0.751 62.1-178.3 72.8 28.5 -19.9 17.1 -5.6 52 52 A S E + 0 0 14 -6,-0.2 -44,-2.5 14,-0.1 2,-0.3 -0.451 16.3 175.4 -68.7 119.6 -19.6 17.4 -9.3 53 53 A T E -AB 7 65A 10 12,-2.6 12,-1.7 -2,-0.4 2,-0.3 -0.944 23.3-149.5-135.5 139.2 -17.3 20.4 -9.8 54 54 A V E -AB 6 64A 0 -48,-2.7 -48,-1.5 -2,-0.3 2,-0.4 -0.869 9.9-141.6-107.9 149.4 -15.5 22.1 -12.6 55 55 A A E -AB 5 63A 0 8,-2.0 7,-3.0 -2,-0.3 8,-1.3 -0.934 22.8-163.4-104.0 132.0 -12.2 24.0 -12.6 56 56 A V E +AB 4 61A 21 -52,-2.8 -52,-2.4 -2,-0.4 2,-0.3 -0.938 15.0 175.1-123.8 138.4 -12.1 27.1 -14.8 57 57 A H E > S- B 0 60A 41 3,-2.2 3,-1.7 -2,-0.4 -54,-0.1 -0.970 73.7 -11.8-141.5 129.2 -9.3 29.2 -16.2 58 58 A D T 3 S- 0 0 130 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.905 130.0 -51.2 49.3 46.6 -9.6 32.2 -18.5 59 59 A G T 3 S+ 0 0 76 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.567 114.6 115.8 71.0 11.3 -13.2 31.4 -19.2 60 60 A Q E < -B 57 0A 105 -3,-1.7 -3,-2.2 0, 0.0 2,-0.6 -0.951 66.0-131.6-114.6 132.7 -12.5 27.7 -20.1 61 61 A V E +B 56 0A 22 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.725 37.7 164.0 -74.9 113.2 -13.8 24.7 -18.2 62 62 A L E + 0 0 9 -7,-3.0 22,-2.5 -2,-0.6 2,-0.3 0.548 51.9 28.9-112.7 -16.4 -10.5 22.6 -17.9 63 63 A G E -BC 55 83A 0 -8,-1.3 -8,-2.0 20,-0.3 2,-0.3 -0.989 52.1-171.7-150.4 156.3 -11.2 20.0 -15.2 64 64 A F E +BC 54 82A 0 18,-2.0 18,-2.2 -2,-0.3 2,-0.3 -0.990 12.8 157.1-145.8 143.6 -14.0 17.9 -13.6 65 65 A A E +B 53 0A 0 -12,-1.7 -12,-2.6 -2,-0.3 2,-0.3 -0.973 6.4 173.1-156.8 165.6 -14.3 15.6 -10.6 66 66 A N E - C 0 79A 0 13,-2.0 13,-2.8 -2,-0.3 2,-0.5 -0.928 33.0 -97.6-156.1-177.7 -16.9 14.2 -8.3 67 67 A F E -BC 50 78A 0 -17,-2.9 -17,-1.9 -2,-0.3 11,-0.2 -0.942 20.1-177.6-108.5 132.6 -17.5 11.8 -5.4 68 68 A Y E S+ 0 0 75 9,-2.1 2,-0.3 -2,-0.5 10,-0.1 0.527 80.0 34.8-103.9 -8.1 -18.9 8.3 -6.0 69 69 A Q E + C 0 77A 85 8,-1.1 8,-2.4 45,-0.1 2,-0.3 -0.986 64.4 172.0-137.5 146.5 -18.9 7.4 -2.4 70 70 A W E + C 0 76A 62 -2,-0.3 2,-0.3 6,-0.2 6,-0.2 -0.976 5.0 176.2-150.6 132.3 -19.6 9.7 0.5 71 71 A Q E >> - C 0 75A 106 4,-1.8 3,-2.2 -2,-0.3 4,-1.4 -0.882 35.4-119.3-144.4 110.2 -20.0 8.7 4.1 72 72 A H T 34 S+ 0 0 140 -2,-0.3 37,-0.2 1,-0.3 36,-0.1 -0.184 95.3 6.8 -56.4 133.3 -20.5 11.5 6.6 73 73 A G T 34 S+ 0 0 27 35,-2.7 -1,-0.3 1,-0.1 36,-0.2 0.503 130.7 59.5 75.4 6.2 -17.8 11.7 9.3 74 74 A D T <4 S- 0 0 86 -3,-2.2 37,-1.6 34,-0.4 38,-0.7 0.681 100.4 -44.8-128.8 -79.3 -15.9 9.0 7.5 75 75 A F E < -Cd 71 112A 23 -4,-1.4 -4,-1.8 35,-0.2 2,-0.3 -0.987 29.7-142.9-157.2 163.2 -14.6 9.2 3.9 76 76 A C E -Cd 70 113A 0 36,-1.5 38,-2.8 -2,-0.3 2,-0.5 -0.935 16.2-141.3-126.5 156.3 -15.3 10.2 0.4 77 77 A A E -Cd 69 114A 0 -8,-2.4 -9,-2.1 -2,-0.3 -8,-1.1 -0.987 17.9-144.9-119.2 119.5 -14.1 8.4 -2.8 78 78 A L E +C 67 0A 5 36,-2.2 38,-0.4 -2,-0.5 -11,-0.3 -0.742 30.2 154.2 -88.8 128.7 -13.1 10.7 -5.6 79 79 A G E +C 66 0A 11 -13,-2.8 -13,-2.0 -2,-0.4 3,-0.1 -0.772 41.5 51.7-143.4-176.3 -13.8 9.7 -9.2 80 80 A N E + 0 0 2 -51,-0.9 2,-0.6 -2,-0.2 -51,-0.1 0.789 64.5 171.4 55.5 34.3 -14.4 11.0 -12.8 81 81 A M E + 0 0 29 -53,-0.1 2,-0.3 -16,-0.1 -16,-0.2 -0.623 9.5 154.4 -78.4 117.0 -11.2 13.1 -12.5 82 82 A M E -C 64 0A 11 -18,-2.2 -18,-2.0 -2,-0.6 2,-0.3 -0.997 25.4-164.1-151.1 143.4 -10.5 14.4 -16.0 83 83 A V E -C 63 0A 13 -2,-0.3 -20,-0.3 -20,-0.2 5,-0.1 -0.949 37.3 -92.7-130.0 143.9 -8.7 17.4 -17.5 84 84 A A > - 0 0 14 -22,-2.5 3,-2.0 -2,-0.3 -65,-0.1 -0.279 35.2-127.5 -54.1 136.4 -8.9 19.0 -21.0 85 85 A P G > S+ 0 0 50 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.889 107.6 53.6 -61.8 -33.3 -6.1 17.6 -23.2 86 86 A A G 3 S+ 0 0 108 1,-0.3 -2,-0.1 0, 0.0 -24,-0.0 0.550 111.1 49.3 -73.9 -8.4 -4.8 20.9 -24.2 87 87 A A G X S+ 0 0 7 -3,-2.0 3,-0.7 -25,-0.1 5,-0.4 0.122 80.0 129.5-119.9 20.1 -4.4 21.9 -20.5 88 88 A R T < + 0 0 101 -3,-1.4 -4,-0.0 1,-0.2 -26,-0.0 -0.396 64.4 26.0 -79.2 148.9 -2.7 18.9 -19.0 89 89 A G T 3 S+ 0 0 83 -2,-0.1 -1,-0.2 1,-0.1 -2,-0.0 0.618 91.9 103.0 78.9 21.4 0.4 19.2 -16.9 90 90 A L S < S- 0 0 85 -3,-0.7 -2,-0.1 -89,-0.0 -1,-0.1 0.278 101.1 -94.1-113.6 5.4 -0.5 22.7 -15.7 91 91 A G S > S+ 0 0 33 3,-0.0 4,-2.3 -4,-0.0 5,-0.2 0.598 84.7 127.9 95.7 6.3 -1.8 21.9 -12.2 92 92 A V H > S+ 0 0 2 -5,-0.4 4,-2.8 2,-0.2 5,-0.2 0.951 78.5 43.1 -63.2 -49.2 -5.5 21.6 -13.0 93 93 A A H > S+ 0 0 18 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.924 113.4 52.5 -63.9 -44.3 -5.9 18.2 -11.4 94 94 A R H > S+ 0 0 126 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.930 113.0 45.2 -55.2 -44.4 -3.8 19.2 -8.4 95 95 A Y H X S+ 0 0 64 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.942 114.6 47.2 -64.4 -51.1 -6.0 22.3 -7.9 96 96 A L H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.903 108.7 54.1 -62.6 -35.9 -9.2 20.3 -8.3 97 97 A I H X S+ 0 0 0 -4,-3.0 4,-2.8 1,-0.2 -1,-0.2 0.934 108.6 50.4 -64.7 -42.5 -8.2 17.5 -5.9 98 98 A G H X S+ 0 0 23 -4,-1.9 4,-2.2 -5,-0.3 -1,-0.2 0.906 109.3 50.0 -60.6 -40.4 -7.4 20.2 -3.3 99 99 A V H X S+ 0 0 18 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.934 112.8 47.9 -63.4 -41.0 -10.9 21.7 -3.8 100 100 A M H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.858 108.8 53.2 -71.1 -35.1 -12.4 18.2 -3.5 101 101 A E H X S+ 0 0 16 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.916 110.2 48.4 -60.4 -43.9 -10.4 17.5 -0.3 102 102 A N H X S+ 0 0 70 -4,-2.2 4,-3.2 -5,-0.2 5,-0.3 0.915 111.4 49.7 -63.7 -43.2 -11.7 20.7 1.2 103 103 A L H X>S+ 0 0 52 -4,-2.3 4,-2.5 2,-0.2 5,-1.2 0.935 109.7 51.6 -65.4 -41.4 -15.3 19.8 0.2 104 104 A A H X5S+ 0 0 0 -4,-2.7 6,-2.6 1,-0.2 4,-0.7 0.945 115.3 41.9 -55.8 -47.5 -14.9 16.3 1.8 105 105 A R H X5S+ 0 0 78 -4,-2.3 4,-0.9 4,-0.3 -2,-0.2 0.950 123.3 36.2 -64.7 -51.0 -13.7 17.9 5.0 106 106 A E H <5S+ 0 0 128 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.901 129.2 26.0 -79.2 -46.1 -16.2 20.7 5.2 107 107 A Q H <5S+ 0 0 65 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.1 0.852 135.1 29.6 -86.3 -35.1 -19.4 19.3 3.8 108 108 A Y H < - 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