==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 24-FEB-10 3LWU . COMPND 2 MOLECULE: SUCCINYLGLUTAMATE DESUCCINYLASE/ASPARTOACYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SHEWANELLA FRIGIDIMARINA; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 372 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17317.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 263 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 8.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 60 16.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 38 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 77 20.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 1 0 0 0 1 0 0 0 0 2 0 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 2 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 PARALLEL BRIDGES PER LADDER . 4 3 2 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 2 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 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 X 0 0 154 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 76.1 36.1 -4.3 10.3 2 2 A T - 0 0 87 1,-0.1 57,-0.1 2,-0.0 56,-0.0 -0.252 360.0-144.9 -58.1 142.3 38.6 -1.6 11.5 3 3 A K S S+ 0 0 90 2,-0.1 25,-0.3 24,-0.0 -1,-0.1 0.662 70.1 107.2 -75.1 -20.4 42.3 -2.4 12.0 4 4 A A - 0 0 13 23,-0.1 2,-0.5 54,-0.1 23,-0.2 -0.365 64.6-143.8 -66.5 134.1 42.5 -0.1 15.0 5 5 A I E -A 26 0A 94 21,-2.3 21,-2.1 -2,-0.1 2,-0.4 -0.910 23.1-147.4 -91.0 125.3 42.7 -1.4 18.6 6 6 A Q E +A 25 0A 126 -2,-0.5 19,-0.2 19,-0.2 2,-0.2 -0.815 30.4 148.4 -98.3 129.2 40.6 1.0 20.8 7 7 A S E -A 24 0A 65 17,-3.3 17,-2.6 -2,-0.4 2,-0.3 -0.750 30.4-129.4-137.0-168.9 41.4 1.7 24.4 8 8 A S E -A 23 0A 79 15,-0.2 2,-0.4 -2,-0.2 13,-0.0 -0.993 5.0-150.8-149.8 153.8 41.1 4.6 26.8 9 9 A V E -A 22 0A 39 13,-2.4 13,-2.3 -2,-0.3 2,-0.5 -0.990 18.3-131.2-126.9 134.1 43.2 6.6 29.3 10 10 A Q E +A 21 0A 110 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.754 26.8 171.9 -87.8 124.6 42.1 8.4 32.4 11 11 A V E - 0 0 6 9,-2.9 2,-0.3 -2,-0.5 10,-0.2 0.470 60.9 -31.6-112.3 -5.7 43.3 12.0 32.6 12 12 A G E -A 20 0A 13 8,-1.0 8,-2.5 142,-0.1 2,-0.3 -0.960 59.0-107.1 171.6-168.8 41.4 13.3 35.6 13 13 A E E -A 19 0A 141 -2,-0.3 6,-0.2 6,-0.3 2,-0.2 -0.994 18.6-132.8-153.3 138.6 38.2 13.1 37.6 14 14 A L > - 0 0 57 4,-3.2 3,-2.5 -2,-0.3 6,-0.0 -0.570 32.1-107.7 -92.9 160.1 35.1 15.3 38.2 15 15 A A T 3 S+ 0 0 113 1,-0.3 -1,-0.1 -2,-0.2 0, 0.0 0.802 119.2 58.7 -56.2 -36.4 33.5 16.2 41.5 16 16 A T T 3 S- 0 0 124 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.555 123.9-104.3 -71.4 -7.3 30.5 13.8 40.8 17 17 A G S < S+ 0 0 47 -3,-2.5 2,-0.3 1,-0.3 -2,-0.2 0.351 73.6 144.4 102.2 -5.1 33.1 10.9 40.5 18 18 A Q - 0 0 134 1,-0.1 -4,-3.2 -5,-0.1 -1,-0.3 -0.536 49.2-123.4 -69.1 129.7 33.0 10.7 36.7 19 19 A A E -A 13 0A 39 -2,-0.3 2,-0.7 -6,-0.2 -6,-0.3 -0.465 10.9-133.4 -67.6 141.0 36.3 9.9 35.1 20 20 A L E +A 12 0A 15 -8,-2.5 -9,-2.9 -2,-0.2 -8,-1.0 -0.922 38.8 179.9 -94.1 116.0 37.7 12.2 32.6 21 21 A T E -A 10 0A 64 -2,-0.7 -11,-0.2 -11,-0.2 56,-0.0 -0.867 25.4-153.6-124.5 151.7 38.8 9.8 29.8 22 22 A V E -A 9 0A 0 -13,-2.3 -13,-2.4 -2,-0.3 2,-0.3 -0.991 24.1-127.0-119.5 130.0 40.4 10.1 26.3 23 23 A P E -A 8 0A 26 0, 0.0 2,-0.4 0, 0.0 -15,-0.2 -0.609 23.6-159.1 -79.3 137.6 39.8 7.5 23.7 24 24 A I E -A 7 0A 9 -17,-2.6 -17,-3.3 -2,-0.3 2,-0.4 -0.972 7.5-169.4-122.5 131.7 43.0 5.9 22.1 25 25 A Y E -AB 6 72A 52 47,-2.1 47,-3.0 -2,-0.4 2,-0.5 -0.979 7.1-165.6-121.1 133.7 43.1 4.2 18.7 26 26 A S E -AB 5 71A 30 -21,-2.1 -21,-2.3 -2,-0.4 2,-0.7 -0.982 14.5-164.5-127.8 122.4 46.2 2.3 17.7 27 27 A F E - B 0 70A 1 43,-3.1 43,-2.1 -2,-0.5 2,-0.2 -0.931 30.3-135.6 -99.0 109.7 47.2 1.0 14.3 28 28 A X - 0 0 135 -2,-0.7 2,-0.2 -25,-0.3 38,-0.2 -0.462 13.2-126.7 -67.2 135.1 49.9 -1.5 14.9 29 29 A G - 0 0 17 -2,-0.2 38,-0.3 1,-0.1 39,-0.2 -0.554 4.7-147.5 -79.1 145.2 52.9 -1.3 12.7 30 30 A S S S+ 0 0 81 36,-1.8 2,-0.5 -2,-0.2 37,-0.2 0.539 84.3 60.5 -86.4 -11.4 54.0 -4.6 10.9 31 31 A E > - 0 0 92 36,-2.2 3,-1.6 35,-0.1 38,-0.2 -0.968 63.5-157.7-119.9 119.6 57.8 -3.6 11.0 32 32 A N T 3 S+ 0 0 169 -2,-0.5 -1,-0.1 1,-0.3 37,-0.1 0.753 95.2 70.1 -64.4 -16.7 59.6 -3.0 14.3 33 33 A S T 3 S+ 0 0 89 34,-0.1 -1,-0.3 -3,-0.1 35,-0.1 0.779 81.0 93.8 -61.5 -31.0 61.9 -1.0 12.0 34 34 A A S < S- 0 0 14 -3,-1.6 35,-0.4 33,-0.5 237,-0.1 -0.350 80.7-105.4 -88.2 147.2 59.5 1.8 11.3 35 35 A P - 0 0 27 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.324 37.0-133.7 -56.7 142.8 59.1 5.2 13.0 36 36 A S - 0 0 22 32,-0.2 132,-1.5 129,-0.1 131,-1.3 -0.704 15.3-148.1-103.0 160.7 56.1 5.5 15.3 37 37 A V E -cd 70 168A 1 32,-2.6 34,-2.7 -2,-0.3 2,-0.4 -0.962 11.7-164.6-135.2 140.1 53.6 8.3 15.5 38 38 A Y E -cd 71 169A 2 130,-2.5 132,-2.6 -2,-0.4 2,-0.4 -0.996 14.6-178.1-125.7 124.2 51.4 10.0 18.1 39 39 A I E +cd 72 170A 0 32,-2.8 34,-2.9 -2,-0.4 2,-0.3 -0.996 3.7 174.9-126.5 126.0 48.6 12.2 16.9 40 40 A Q E -cd 73 171A 0 130,-2.3 132,-2.9 -2,-0.4 2,-0.3 -0.927 6.3-168.6-129.4 154.6 46.3 14.2 19.3 41 41 A A E + d 0 172A 0 32,-1.9 35,-2.2 -2,-0.3 36,-0.2 -0.967 54.6 25.0-133.4 155.3 43.5 16.7 18.8 42 42 A N + 0 0 1 130,-1.3 35,-0.4 5,-0.4 39,-0.1 0.677 52.4 143.3 77.5 27.6 41.4 19.2 20.7 43 43 A V S S+ 0 0 1 129,-0.4 2,-0.7 33,-0.1 37,-0.1 0.859 77.1 59.0 -61.9 -36.5 43.4 20.0 23.8 44 44 A H S > S- 0 0 8 3,-0.2 3,-1.7 1,-0.1 48,-0.2 -0.897 96.9-141.7 -87.6 118.8 42.0 23.4 23.3 45 45 A G T 3 S+ 0 0 0 46,-2.3 -1,-0.1 -2,-0.7 47,-0.1 0.659 93.2 52.6 -70.3 -21.1 38.3 22.5 23.6 46 46 A A T 3 S+ 0 0 6 43,-0.2 202,-3.0 1,-0.2 2,-1.8 0.598 88.0 87.4 -79.3 -16.3 36.9 24.8 20.9 47 47 A E < + 0 0 10 -3,-1.7 3,-0.5 200,-0.2 -5,-0.4 -0.523 49.7 149.3 -90.1 71.0 39.4 23.5 18.4 48 48 A V >> + 0 0 28 -2,-1.8 3,-1.9 1,-0.2 4,-0.6 0.631 42.9 87.2 -85.4 -14.3 37.3 20.6 17.2 49 49 A Q H >> S+ 0 0 0 1,-0.3 4,-2.0 197,-0.3 3,-1.0 0.811 77.8 69.8 -61.6 -31.3 38.4 20.2 13.5 50 50 A G H 3> S+ 0 0 0 -3,-0.5 4,-2.4 1,-0.3 -1,-0.3 0.759 92.2 58.9 -54.1 -30.2 41.3 17.9 14.5 51 51 A N H <> S+ 0 0 28 -3,-1.9 4,-2.0 2,-0.2 -1,-0.3 0.861 105.1 48.2 -65.3 -40.4 38.7 15.2 15.4 52 52 A A H < S+ 0 0 42 -4,-2.2 3,-2.3 1,-0.2 4,-0.3 0.939 106.7 59.2 -66.8 -45.3 42.3 6.3 5.0 61 61 A L H >< S+ 0 0 0 -4,-3.0 3,-1.2 1,-0.3 -1,-0.2 0.749 87.7 73.8 -59.6 -23.0 44.6 4.2 7.1 62 62 A E T 3< S+ 0 0 68 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.812 105.8 39.6 -56.9 -27.7 42.2 1.2 6.8 63 63 A G T < S+ 0 0 62 -3,-2.3 2,-0.3 -4,-0.4 -1,-0.2 0.327 104.2 77.1-104.9 3.9 43.5 0.9 3.2 64 64 A Y S < S- 0 0 64 -3,-1.2 2,-0.7 -4,-0.3 208,-0.0 -0.835 84.2-112.1-111.0 151.4 47.2 1.6 3.7 65 65 A Q - 0 0 108 -2,-0.3 208,-2.2 -36,-0.0 2,-0.6 -0.777 30.6-145.5 -84.5 116.1 49.8 -0.8 5.0 66 66 A V B +J 272 0B 8 -2,-0.7 -36,-1.8 206,-0.2 206,-0.2 -0.694 24.6 172.5 -88.0 117.0 51.0 0.6 8.4 67 67 A L + 0 0 20 204,-2.6 -36,-2.2 -2,-0.6 -33,-0.5 0.846 67.3 40.9 -90.9 -40.1 54.7 -0.1 9.0 68 68 A G S S- 0 0 1 203,-1.9 -32,-0.2 -39,-0.2 -1,-0.1 -0.822 99.1 -89.2-111.9 152.3 55.1 1.9 12.2 69 69 A D - 0 0 77 -35,-0.4 -32,-2.6 -2,-0.3 2,-0.5 -0.274 38.5-163.2 -58.0 137.8 52.8 2.2 15.1 70 70 A I E -Bc 27 37A 0 -43,-2.1 -43,-3.1 -34,-0.2 2,-0.5 -0.992 5.2-172.6-126.4 121.2 50.2 5.0 14.9 71 71 A T E -Bc 26 38A 37 -34,-2.7 -32,-2.8 -2,-0.5 2,-0.4 -0.957 3.3-166.9-115.6 127.9 48.5 6.1 18.0 72 72 A L E -Bc 25 39A 0 -47,-3.0 -47,-2.1 -2,-0.5 -32,-0.2 -0.964 10.2-174.5-122.5 133.2 45.7 8.6 17.8 73 73 A A E + c 0 40A 0 -34,-2.9 -32,-1.9 -2,-0.4 3,-0.4 -0.784 13.7 174.7-125.4 81.6 44.1 10.6 20.7 74 74 A P + 0 0 11 0, 0.0 -32,-0.1 0, 0.0 -23,-0.1 -0.375 67.6 29.1 -77.6 170.0 41.1 12.6 19.6 75 75 A L S S+ 0 0 79 1,-0.1 -33,-0.2 -53,-0.1 -27,-0.0 0.913 77.0 168.8 50.6 49.9 39.0 14.4 22.1 76 76 A A + 0 0 0 -35,-2.2 -33,-0.1 -3,-0.4 -1,-0.1 0.533 63.1 42.8 -81.4 -6.7 42.1 14.8 24.2 77 77 A N > + 0 0 4 -35,-0.4 4,-2.7 -36,-0.2 -1,-0.3 -0.590 60.8 171.5-135.5 75.1 40.8 17.3 26.8 78 78 A P H > S+ 0 0 16 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.862 79.0 56.5 -56.3 -34.4 37.2 16.3 27.7 79 79 A L H 4 S+ 0 0 36 1,-0.2 4,-0.2 2,-0.2 -2,-0.1 0.957 114.2 38.8 -61.5 -48.6 37.0 18.9 30.5 80 80 A G H >4 S+ 0 0 2 -3,-0.2 3,-1.1 1,-0.2 -1,-0.2 0.881 114.5 53.2 -67.4 -41.0 37.8 21.7 28.1 81 81 A I H 3< S+ 0 0 25 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.857 111.8 46.3 -64.5 -37.1 35.7 20.3 25.2 82 82 A N T 3< S+ 0 0 123 -4,-2.3 2,-0.9 -5,-0.3 -1,-0.3 0.346 85.8 108.3 -87.9 3.6 32.6 20.0 27.4 83 83 A Q < - 0 0 57 -3,-1.1 7,-2.3 -4,-0.2 2,-0.3 -0.716 48.7-177.1 -90.2 104.0 33.0 23.5 28.9 84 84 A K B +K 89 0C 126 -2,-0.9 2,-0.3 5,-0.2 5,-0.2 -0.714 18.9 176.0-100.9 149.3 30.2 25.8 27.5 85 85 A S S S- 0 0 71 3,-2.5 3,-0.2 1,-0.4 -2,-0.0 -0.834 73.9 -40.7-146.0 105.4 29.7 29.5 28.2 86 86 A G S S- 0 0 72 -2,-0.3 2,-1.1 1,-0.2 -1,-0.4 -0.397 121.3 -28.1 63.2-148.7 26.8 30.7 26.1 87 87 A E S S+ 0 0 207 -3,-0.1 2,-0.3 2,-0.1 -1,-0.2 -0.307 124.5 84.9 -91.0 49.1 26.9 29.2 22.6 88 88 A F S S- 0 0 82 -2,-1.1 -3,-2.5 -3,-0.2 2,-0.7 -0.994 80.0-116.4-156.2 142.6 30.6 28.9 22.7 89 89 A T B -K 84 0C 4 -2,-0.3 2,-1.9 -5,-0.2 -5,-0.2 -0.756 15.9-157.2 -86.0 112.7 33.2 26.4 24.0 90 90 A L + 0 0 51 -7,-2.3 3,-0.1 -2,-0.7 -1,-0.1 -0.562 48.0 136.0 -84.3 74.4 35.3 28.0 26.8 91 91 A G + 0 0 1 -2,-1.9 -46,-2.3 1,-0.1 -1,-0.2 0.379 35.9 82.6-109.1 1.6 38.0 25.4 26.0 92 92 A R S S+ 0 0 122 -48,-0.2 9,-2.0 -3,-0.2 10,-0.5 0.829 96.1 14.4 -82.7 -33.2 41.2 27.3 26.0 93 93 A F B S-L 100 0D 73 7,-0.3 7,-0.3 8,-0.1 6,-0.1 -0.917 90.3 -78.0-141.8 160.1 42.1 27.4 29.7 94 94 A D > - 0 0 10 5,-2.8 4,-2.8 -2,-0.3 5,-0.1 -0.482 39.8-143.7 -54.9 122.3 41.2 26.0 33.1 95 95 A P T 4 S+ 0 0 53 0, 0.0 -1,-0.2 0, 0.0 -4,-0.0 0.761 96.9 50.0 -68.9 -18.2 37.9 27.8 34.0 96 96 A I T 4 S+ 0 0 148 1,-0.1 -2,-0.0 3,-0.1 -3,-0.0 0.931 128.0 15.1 -81.6 -47.7 39.0 27.9 37.6 97 97 A T T 4 S- 0 0 87 2,-0.1 3,-0.1 0, 0.0 -1,-0.1 0.589 90.9-123.9-106.9 -20.3 42.6 29.3 37.3 98 98 A G < + 0 0 42 -4,-2.8 2,-0.3 1,-0.3 3,-0.0 0.411 56.3 151.5 87.9 -1.9 42.9 30.7 33.8 99 99 A V - 0 0 58 -5,-0.1 -5,-2.8 -6,-0.1 -1,-0.3 -0.478 50.5-118.4 -73.5 126.6 45.9 28.5 32.9 100 100 A N B > -L 93 0D 23 -2,-0.3 3,-2.0 -7,-0.3 -7,-0.3 -0.446 13.9-139.6 -62.0 125.2 46.1 27.7 29.2 101 101 A W G > S+ 0 0 3 -9,-2.0 3,-1.1 1,-0.3 -1,-0.1 0.847 102.5 56.9 -60.9 -33.6 45.9 24.0 28.8 102 102 A N G 3 S+ 0 0 11 -10,-0.5 -1,-0.3 1,-0.2 109,-0.1 0.259 100.4 58.1 -82.3 13.1 48.6 24.2 26.1 103 103 A R G < S+ 0 0 119 -3,-2.0 -1,-0.2 107,-0.1 107,-0.2 0.099 86.0 83.0-119.3 17.0 51.1 25.8 28.6 104 104 A E < + 0 0 14 -3,-1.1 53,-0.2 48,-0.1 106,-0.1 0.318 58.5 120.8-107.5 3.3 50.9 23.0 31.1 105 105 A Y - 0 0 10 104,-2.3 2,-0.5 51,-0.1 52,-0.1 -0.228 65.9-102.5 -74.6 162.9 53.4 20.5 29.6 106 106 A F - 0 0 49 50,-0.1 2,-0.6 47,-0.1 -1,-0.1 -0.779 19.7-154.3 -97.7 126.6 56.5 19.3 31.5 107 107 A D - 0 0 70 -2,-0.5 107,-0.1 1,-0.1 106,-0.0 -0.858 8.3-156.4 -92.8 116.6 60.1 20.6 30.9 108 108 A H - 0 0 24 -2,-0.6 3,-0.1 106,-0.2 -1,-0.1 0.712 9.9-151.1 -71.2 -21.2 62.5 17.9 32.1 109 109 A N - 0 0 83 1,-0.2 2,-0.2 2,-0.0 -1,-0.1 0.933 23.8-160.7 46.9 51.5 65.5 20.2 32.7 110 110 A V - 0 0 25 1,-0.1 2,-1.4 2,-0.0 -1,-0.2 -0.433 22.8-127.8 -65.6 131.0 67.8 17.3 31.9 111 111 A D > - 0 0 93 1,-0.2 4,-2.7 -2,-0.2 5,-0.2 -0.690 36.6-176.0 -76.5 97.5 71.3 17.6 33.2 112 112 A I H > S+ 0 0 30 -2,-1.4 4,-2.3 1,-0.2 5,-0.2 0.865 71.0 53.0 -77.5 -38.1 72.6 16.9 29.7 113 113 A Q H > S+ 0 0 126 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.908 116.7 41.5 -58.8 -45.2 76.3 16.9 30.3 114 114 A N H > S+ 0 0 79 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.926 113.9 48.9 -70.3 -47.7 75.8 14.3 33.1 115 115 A W H X S+ 0 0 26 -4,-2.7 4,-0.6 1,-0.2 -2,-0.2 0.922 113.6 48.5 -60.1 -44.4 73.2 12.1 31.4 116 116 A Y H >X S+ 0 0 15 -4,-2.3 4,-1.4 1,-0.2 3,-0.7 0.850 107.2 55.2 -64.1 -41.5 75.4 11.9 28.3 117 117 A A H 3< S+ 0 0 55 -4,-1.7 4,-0.3 1,-0.2 3,-0.2 0.883 108.9 48.9 -58.4 -39.5 78.5 11.1 30.2 118 118 A E H 3< S+ 0 0 116 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.614 124.4 29.1 -75.5 -14.7 76.7 8.1 31.8 119 119 A H H X< S+ 0 0 44 -3,-0.7 3,-1.6 -4,-0.6 -2,-0.2 0.384 82.5 105.8-130.3 5.4 75.4 6.8 28.5 120 120 A Q T 3< S+ 0 0 105 -4,-1.4 -3,-0.1 1,-0.3 -2,-0.1 0.778 74.1 66.7 -59.4 -31.1 78.0 7.8 25.8 121 121 A H T 3 S+ 0 0 140 -4,-0.3 -1,-0.3 6,-0.0 -2,-0.1 0.690 84.6 92.7 -64.8 -22.6 79.3 4.2 25.5 122 122 A L S < S- 0 0 45 -3,-1.6 -3,-0.0 1,-0.1 2,-0.0 -0.363 86.6-105.1 -68.0 151.1 75.9 3.2 24.0 123 123 A T > - 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