==== 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 12-MAY-13 4KOW . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR K.A.MAJOREK,P.J.POREBSKI,M.CHRUSZCZ,M.GRABOWSKI,A.JOACHIMIAK . 159 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8556.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 110 69.2 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 . 7 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 8.8 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 . 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 0 125 0, 0.0 2,-0.4 0, 0.0 56,-0.0 0.000 360.0 360.0 360.0 119.1 -26.5 29.7 -5.8 2 2 A Q - 0 0 77 2,-0.0 56,-0.4 0, 0.0 2,-0.2 -0.744 360.0-176.8-122.5 79.3 -23.6 31.4 -7.5 3 3 A L + 0 0 37 -2,-0.4 2,-0.3 54,-0.1 54,-0.2 -0.548 9.6 176.4 -85.6 145.1 -21.1 28.6 -8.2 4 4 A S E -A 56 0A 61 52,-2.2 52,-2.8 -2,-0.2 2,-0.3 -0.827 12.4-148.5-130.4 171.4 -17.7 28.9 -9.7 5 5 A H E +A 55 0A 96 -2,-0.3 50,-0.2 50,-0.2 48,-0.0 -0.971 18.6 161.6-143.7 159.1 -15.0 26.3 -10.3 6 6 A R E -A 54 0A 73 48,-1.8 48,-2.8 -2,-0.3 3,-0.1 -0.967 49.1 -71.5-162.9 164.8 -11.2 26.0 -10.5 7 7 A P E -A 53 0A 94 0, 0.0 46,-0.3 0, 0.0 2,-0.1 -0.318 61.1 -97.0 -61.5 146.2 -8.6 23.2 -10.3 8 8 A A - 0 0 28 44,-2.4 2,-0.3 3,-0.0 44,-0.1 -0.383 43.4-160.9 -62.0 142.7 -8.1 21.6 -7.0 9 9 A E > - 0 0 114 -3,-0.1 3,-1.8 -2,-0.1 4,-0.5 -0.829 32.3-104.3-125.8 158.2 -5.2 23.0 -4.9 10 10 A T G > S+ 0 0 118 1,-0.3 3,-1.7 -2,-0.3 4,-0.4 0.885 119.0 59.5 -47.6 -44.0 -3.2 21.7 -1.9 11 11 A G G 3 S+ 0 0 66 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.680 99.2 56.9 -67.5 -15.9 -5.1 24.0 0.4 12 12 A D G <> S+ 0 0 13 -3,-1.8 4,-2.5 1,-0.1 -1,-0.3 0.565 83.8 88.3 -79.1 -17.7 -8.4 22.5 -0.5 13 13 A L H <> S+ 0 0 25 -3,-1.7 4,-2.5 -4,-0.5 5,-0.2 0.882 84.9 47.9 -59.0 -47.6 -7.4 19.0 0.5 14 14 A E H > S+ 0 0 145 -4,-0.4 4,-0.8 1,-0.2 -1,-0.2 0.917 114.4 48.7 -62.6 -39.6 -8.4 19.1 4.2 15 15 A T H >4 S+ 0 0 70 -4,-0.3 3,-1.0 2,-0.2 -2,-0.2 0.956 113.7 44.1 -61.7 -53.6 -11.8 20.5 3.3 16 16 A V H >< S+ 0 0 0 -4,-2.5 3,-2.2 1,-0.3 -2,-0.2 0.907 107.8 58.2 -61.4 -38.9 -12.5 18.0 0.6 17 17 A A H 3< S+ 0 0 13 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.704 99.8 61.4 -66.0 -18.3 -11.3 15.1 2.7 18 18 A G T << S+ 0 0 40 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.450 83.8 84.6 -78.8 -7.3 -13.9 16.1 5.3 19 19 A F < + 0 0 7 -3,-2.2 2,-0.3 -4,-0.2 -2,-0.2 0.947 66.9 79.6 -69.1 -46.2 -16.8 15.5 2.9 20 20 A P - 0 0 12 0, 0.0 17,-0.2 0, 0.0 3,-0.1 -0.466 59.3-169.5 -68.0 126.5 -17.4 11.8 3.3 21 21 A Q + 0 0 102 -2,-0.3 2,-0.3 1,-0.1 -2,-0.0 0.568 61.5 3.1 -94.7 -12.4 -19.5 11.3 6.4 22 22 A D S > S- 0 0 69 1,-0.0 4,-2.3 14,-0.0 5,-0.2 -0.951 84.4 -85.7-161.7 173.8 -19.3 7.6 6.8 23 23 A R H > S+ 0 0 159 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 0.824 123.2 54.0 -58.6 -37.1 -17.8 4.4 5.3 24 24 A D H > S+ 0 0 96 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.951 108.0 47.9 -63.4 -50.2 -20.7 4.1 2.8 25 25 A E H > S+ 0 0 48 1,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.910 112.7 49.1 -58.8 -42.2 -20.2 7.6 1.5 26 26 A L H X S+ 0 0 4 -4,-2.3 4,-2.0 1,-0.2 3,-0.4 0.927 110.7 51.2 -64.6 -43.9 -16.5 7.1 1.1 27 27 A F H < S+ 0 0 24 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.898 106.7 54.6 -56.8 -44.4 -17.1 3.7 -0.6 28 28 A Y H < S+ 0 0 63 -4,-2.6 90,-0.3 1,-0.2 -1,-0.2 0.796 120.7 29.4 -63.1 -31.7 -19.5 5.3 -3.1 29 29 A C H < S+ 0 0 19 -4,-1.3 51,-1.0 -3,-0.4 -1,-0.2 0.584 139.3 14.1-103.5 -15.0 -17.0 8.0 -4.2 30 30 A Y >< + 0 0 15 -4,-2.0 3,-1.7 -5,-0.2 -1,-0.2 -0.479 60.9 176.7-163.3 71.9 -13.7 6.2 -3.7 31 31 A P T 3 S+ 0 0 64 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.735 80.0 60.4 -66.2 -21.9 -14.0 2.5 -3.2 32 32 A K T 3 S+ 0 0 163 -5,-0.1 -5,-0.1 2,-0.1 -2,-0.0 0.724 88.6 96.0 -73.7 -22.9 -10.2 2.0 -3.1 33 33 A A < - 0 0 14 -3,-1.7 2,-0.4 -7,-0.2 4,-0.1 -0.244 69.6-136.4 -69.6 158.6 -9.9 4.3 -0.1 34 34 A I - 0 0 123 2,-0.2 7,-0.1 4,-0.0 -2,-0.1 -0.957 35.6 -83.0-116.0 127.9 -9.9 3.0 3.5 35 35 A W S S+ 0 0 81 -2,-0.4 2,-0.1 2,-0.1 -12,-0.0 -0.620 108.3 53.5 -69.0 134.0 -11.9 4.5 6.3 36 36 A P S S- 0 0 92 0, 0.0 -2,-0.2 0, 0.0 -1,-0.0 0.446 89.5-138.8 -79.8 147.7 -11.0 6.9 7.9 37 37 A F - 0 0 27 -17,-0.2 2,-0.3 -20,-0.1 3,-0.1 -0.205 25.1-174.0 -68.9 159.0 -10.4 9.1 4.9 38 38 A S > - 0 0 44 1,-0.1 4,-2.1 -3,-0.0 5,-0.2 -0.990 41.0-109.7-151.9 156.4 -7.3 11.3 4.9 39 39 A V H > S+ 0 0 40 -2,-0.3 4,-3.3 1,-0.2 5,-0.3 0.903 117.6 59.0 -58.7 -36.9 -5.6 14.0 3.0 40 40 A A H > S+ 0 0 75 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.927 106.6 47.0 -59.9 -40.4 -2.9 11.5 2.0 41 41 A Q H > S+ 0 0 40 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.915 113.4 48.7 -67.2 -39.1 -5.5 9.2 0.4 42 42 A L H X S+ 0 0 1 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.939 111.3 49.3 -67.4 -46.2 -7.1 12.2 -1.4 43 43 A A H X S+ 0 0 38 -4,-3.3 4,-2.4 1,-0.2 -1,-0.2 0.861 106.7 56.4 -61.4 -36.8 -3.7 13.4 -2.7 44 44 A A H X S+ 0 0 51 -4,-2.0 4,-1.4 -5,-0.3 -1,-0.2 0.894 108.7 46.8 -61.9 -41.4 -2.8 10.0 -4.0 45 45 A A H X S+ 0 0 0 -4,-1.7 4,-1.0 2,-0.2 3,-0.4 0.941 111.2 51.1 -65.2 -45.7 -6.0 9.9 -6.1 46 46 A I H >< S+ 0 0 49 -4,-2.5 3,-0.9 1,-0.2 -2,-0.2 0.925 107.5 54.2 -55.7 -43.4 -5.3 13.4 -7.4 47 47 A A H 3< S+ 0 0 82 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.844 114.4 39.7 -65.1 -31.9 -1.8 12.4 -8.4 48 48 A E H 3< S+ 0 0 120 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.483 114.4 58.2 -98.0 1.4 -2.9 9.4 -10.4 49 49 A R S << S- 0 0 33 -4,-1.0 2,-0.3 -3,-0.9 19,-0.2 -0.403 73.7-123.0-116.8-173.8 -6.0 11.0 -12.0 50 50 A R E S+ B 0 67A 108 17,-2.0 17,-3.0 -2,-0.1 19,-0.1 -0.962 74.7 22.2-131.6 153.4 -6.8 14.0 -14.2 51 51 A G E - 0 0 25 -2,-0.3 2,-0.3 1,-0.2 14,-0.1 0.753 61.7-177.8 75.7 21.4 -8.9 17.1 -14.0 52 52 A S E + 0 0 15 -6,-0.2 -44,-2.4 14,-0.1 2,-0.3 -0.477 15.6 175.6 -62.3 124.4 -9.4 17.4 -10.2 53 53 A T E -AB 7 65A 11 12,-2.4 12,-1.6 -2,-0.3 2,-0.3 -0.949 22.1-149.2-137.9 141.6 -11.7 20.3 -9.9 54 54 A V E -AB 6 64A 0 -48,-2.8 -48,-1.8 -2,-0.3 2,-0.4 -0.874 9.4-141.3-111.7 148.9 -13.5 22.1 -7.0 55 55 A A E -AB 5 63A 0 8,-2.0 7,-2.9 -2,-0.3 8,-1.3 -0.919 22.5-164.3-103.6 137.5 -16.8 23.9 -7.0 56 56 A V E +AB 4 61A 20 -52,-2.8 -52,-2.2 -2,-0.4 2,-0.3 -0.962 15.2 173.7-126.5 140.2 -17.0 27.1 -4.8 57 57 A H E > S- B 0 60A 53 3,-2.3 3,-2.0 -2,-0.4 -54,-0.1 -0.979 74.3 -9.6-144.7 128.8 -19.9 29.2 -3.5 58 58 A D T 3 S- 0 0 138 -56,-0.4 3,-0.1 -2,-0.3 -55,-0.1 0.859 129.9 -52.8 54.2 41.4 -19.6 32.1 -1.1 59 59 A G T 3 S+ 0 0 65 1,-0.2 2,-0.5 0, 0.0 -1,-0.3 0.442 114.4 116.4 75.6 8.5 -15.9 31.3 -0.4 60 60 A Q E < -B 57 0A 118 -3,-2.0 -3,-2.3 2,-0.0 2,-0.6 -0.870 65.7-132.5-113.7 129.9 -16.6 27.7 0.5 61 61 A V E +B 56 0A 21 -2,-0.5 -5,-0.3 -5,-0.2 3,-0.1 -0.709 36.2 165.5 -74.5 119.6 -15.3 24.7 -1.4 62 62 A L E + 0 0 22 -7,-2.9 22,-2.6 -2,-0.6 2,-0.3 0.537 51.9 28.8-115.8 -14.6 -18.5 22.6 -1.8 63 63 A G E -BC 55 83A 0 -8,-1.3 -8,-2.0 20,-0.2 2,-0.3 -0.990 51.8-173.0-150.7 159.0 -17.7 20.0 -4.4 64 64 A F E +BC 54 82A 2 18,-2.0 18,-2.3 -2,-0.3 2,-0.3 -0.989 12.9 156.1-149.6 146.0 -14.9 17.9 -5.9 65 65 A A E +B 53 0A 0 -12,-1.6 -12,-2.4 -2,-0.3 2,-0.3 -0.973 7.3 175.3-162.1 165.8 -14.6 15.5 -8.8 66 66 A N E - C 0 79A 0 13,-2.1 13,-2.7 -2,-0.3 2,-0.5 -0.912 33.7 -95.6-157.2 179.9 -12.0 14.1 -11.3 67 67 A F E -BC 50 78A 0 -17,-3.0 -17,-2.0 -2,-0.3 11,-0.2 -0.949 22.5-179.7-108.2 130.8 -11.5 11.7 -14.1 68 68 A Y E S+ 0 0 77 9,-2.0 2,-0.3 -2,-0.5 10,-0.1 0.576 79.7 35.4-101.7 -9.6 -10.1 8.2 -13.3 69 69 A Q E + C 0 77A 82 8,-1.0 8,-2.4 45,-0.1 2,-0.3 -0.991 66.5 170.5-137.1 144.6 -10.1 7.2 -17.0 70 70 A W E + C 0 76A 64 -2,-0.3 2,-0.4 6,-0.2 6,-0.2 -0.967 7.9 176.6-155.8 131.5 -9.4 9.4 -20.0 71 71 A Q E >> - C 0 75A 107 4,-2.2 3,-2.2 -2,-0.3 4,-1.1 -0.914 35.2-120.6-144.6 109.1 -9.0 8.5 -23.6 72 72 A H T 34 S+ 0 0 133 -2,-0.4 37,-0.2 1,-0.3 36,-0.1 -0.224 96.6 10.0 -56.2 133.3 -8.5 11.3 -26.1 73 73 A G T 34 S+ 0 0 28 35,-3.2 -1,-0.3 1,-0.1 36,-0.2 0.462 130.7 57.1 79.1 0.6 -11.1 11.5 -28.8 74 74 A D T <4 S- 0 0 84 -3,-2.2 37,-2.3 34,-0.4 38,-1.2 0.614 100.4 -45.2-128.5 -84.0 -13.1 8.8 -26.9 75 75 A F E < -Cd 71 112A 25 -4,-1.1 -4,-2.2 35,-0.2 2,-0.3 -0.987 29.3-140.6-154.5 165.9 -14.4 9.2 -23.3 76 76 A C E -Cd 70 113A 0 36,-1.4 38,-2.8 -2,-0.3 2,-0.5 -0.931 16.7-139.7-128.6 154.1 -13.7 10.1 -19.8 77 77 A A E -Cd 69 114A 0 -8,-2.4 -9,-2.0 -2,-0.3 -8,-1.0 -0.988 19.1-146.9-114.5 122.0 -14.9 8.4 -16.6 78 78 A L E +C 67 0A 4 36,-2.4 38,-0.5 -2,-0.5 -11,-0.2 -0.765 32.0 143.6 -93.8 129.4 -15.9 10.7 -13.8 79 79 A G E +C 66 0A 11 -13,-2.7 -13,-2.1 -2,-0.4 3,-0.2 -0.761 37.5 64.4-148.6-168.0 -15.3 9.8 -10.2 80 80 A N E + 0 0 2 -51,-1.0 2,-0.7 -2,-0.2 -1,-0.1 0.828 63.9 175.5 50.5 37.5 -14.4 11.0 -6.6 81 81 A M E + 0 0 24 -53,-0.2 2,-0.4 -3,-0.1 -16,-0.2 -0.638 5.9 168.4 -78.2 112.8 -17.7 13.0 -6.8 82 82 A M E -C 64 0A 7 -18,-2.3 -18,-2.0 -2,-0.7 2,-0.4 -0.983 19.0-168.1-131.3 143.3 -18.0 14.5 -3.3 83 83 A V E -C 63 0A 18 -2,-0.4 -20,-0.2 -20,-0.2 5,-0.1 -0.978 33.4-103.3-134.5 135.6 -20.2 17.2 -1.9 84 84 A A > - 0 0 10 -22,-2.6 3,-1.8 -2,-0.4 -65,-0.1 -0.321 31.8-124.5 -52.9 134.4 -20.0 19.1 1.4 85 85 A P G > S+ 0 0 59 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 0.844 109.9 52.3 -62.6 -28.9 -22.6 17.8 3.9 86 86 A A G 3 S+ 0 0 102 1,-0.2 -2,-0.1 0, 0.0 -24,-0.0 0.626 110.4 50.7 -78.4 -7.6 -24.1 21.2 4.5 87 87 A A G X S+ 0 0 3 -3,-1.8 3,-1.0 -25,-0.1 5,-0.5 0.090 77.0 136.6-116.1 22.2 -24.5 21.7 0.7 88 88 A R T < S+ 0 0 98 -3,-0.9 -4,-0.0 1,-0.2 -26,-0.0 -0.446 70.3 12.8 -74.2 141.4 -26.3 18.4 -0.3 89 89 A G T 3 S+ 0 0 69 -2,-0.1 -1,-0.2 1,-0.1 -2,-0.0 0.574 95.1 106.5 74.4 12.0 -29.2 18.6 -2.7 90 90 A L S < S- 0 0 94 -3,-1.0 -2,-0.1 0, 0.0 -1,-0.1 0.290 98.8 -93.5-106.7 7.0 -28.6 22.2 -3.7 91 91 A G S > S+ 0 0 18 -4,-0.1 4,-2.5 3,-0.0 5,-0.2 0.484 86.7 124.6 97.4 5.5 -27.2 21.5 -7.2 92 92 A V H > S+ 0 0 3 -5,-0.5 4,-2.5 2,-0.2 5,-0.2 0.924 78.6 44.5 -66.2 -45.4 -23.5 21.4 -6.5 93 93 A A H > S+ 0 0 16 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.928 113.3 50.8 -67.6 -42.9 -23.0 18.0 -8.1 94 94 A R H > S+ 0 0 122 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.932 112.5 47.9 -55.2 -43.8 -25.2 18.8 -11.1 95 95 A Y H X S+ 0 0 67 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.959 114.1 45.2 -61.2 -50.4 -23.1 22.0 -11.6 96 96 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.897 109.0 55.2 -70.5 -35.6 -19.8 20.2 -11.3 97 97 A I H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.923 108.1 50.6 -61.6 -40.9 -20.8 17.4 -13.5 98 98 A G H X S+ 0 0 24 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.905 109.7 49.5 -61.7 -40.4 -21.6 20.0 -16.2 99 99 A V H X S+ 0 0 18 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.915 111.1 49.8 -61.9 -44.0 -18.2 21.6 -15.8 100 100 A M H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.851 107.2 54.8 -69.1 -33.7 -16.6 18.2 -16.1 101 101 A E H X S+ 0 0 16 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.927 108.9 48.3 -59.8 -45.3 -18.6 17.4 -19.3 102 102 A N H X S+ 0 0 64 -4,-2.0 4,-2.9 2,-0.2 5,-0.3 0.903 112.1 49.7 -60.4 -42.8 -17.3 20.6 -20.8 103 103 A L H X>S+ 0 0 41 -4,-2.4 4,-2.7 1,-0.2 5,-0.9 0.930 109.9 49.9 -62.0 -43.9 -13.7 19.7 -19.7 104 104 A A H X5S+ 0 0 0 -4,-2.7 6,-2.2 3,-0.2 4,-1.0 0.929 116.1 42.5 -59.5 -46.2 -14.0 16.2 -21.2 105 105 A R H X5S+ 0 0 59 -4,-2.3 4,-0.9 4,-0.3 -2,-0.2 0.973 122.6 38.0 -61.5 -51.0 -15.3 17.7 -24.5 106 106 A E H <5S+ 0 0 130 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.929 128.3 26.9 -73.0 -49.7 -12.8 20.6 -24.7 107 107 A Q H <5S+ 0 0 108 -4,-2.7 -3,-0.2 -5,-0.3 -1,-0.1 0.875 134.5 27.8 -84.8 -38.5 -9.6 19.1 -23.3 108 108 A Y H < - 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