==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-SEP-03 1QXA . COMPND 2 MOLECULE: NPQTN SPECIFIC SORTASE B; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR Y.ZONG,S.K.MAZMANIAN,O.SCHNEEWIND,S.V.NARAYANA . 217 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10720.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 143 65.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 19.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 16 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 43 19.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 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 PARALLEL BRIDGES PER LADDER . 1 1 1 0 1 2 0 0 0 1 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 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 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 31 A E >> 0 0 156 0, 0.0 4,-1.8 0, 0.0 3,-0.7 0.000 360.0 360.0 360.0 -28.3 10.5 27.6 -8.0 2 32 A D H 3> + 0 0 56 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.703 360.0 73.5 -48.8 -16.2 10.2 27.7 -4.2 3 33 A K H 3> S+ 0 0 174 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.994 99.0 36.3 -61.6 -66.2 6.5 27.8 -5.3 4 34 A Q H <> S+ 0 0 98 -3,-0.7 4,-3.1 1,-0.2 5,-0.2 0.841 111.4 63.5 -58.5 -34.9 6.3 24.1 -6.3 5 35 A E H X S+ 0 0 19 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.961 108.6 40.0 -53.7 -53.4 8.6 23.2 -3.4 6 36 A R H X S+ 0 0 129 -4,-2.0 4,-1.8 -3,-0.2 -1,-0.2 0.869 113.0 56.7 -63.4 -36.9 6.0 24.4 -1.0 7 37 A A H X S+ 0 0 36 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.905 103.1 54.4 -61.8 -42.5 3.2 22.9 -3.1 8 38 A N H X S+ 0 0 37 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.918 111.9 42.1 -58.6 -47.0 4.9 19.4 -2.9 9 39 A Y H X S+ 0 0 20 -4,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.812 113.0 56.7 -69.9 -26.6 4.9 19.5 0.9 10 40 A E H X S+ 0 0 112 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.887 108.1 45.1 -70.7 -40.3 1.4 21.0 0.7 11 41 A K H X S+ 0 0 146 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.951 115.7 48.0 -66.5 -47.7 0.1 18.0 -1.3 12 42 A L H X S+ 0 0 8 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.813 109.7 51.5 -63.3 -34.9 1.9 15.6 1.0 13 43 A Q H X S+ 0 0 41 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.925 111.2 47.8 -68.8 -43.1 0.6 17.3 4.2 14 44 A Q H X S+ 0 0 121 -4,-1.9 4,-1.2 1,-0.2 -2,-0.2 0.832 112.8 50.3 -64.8 -33.1 -3.0 17.1 2.8 15 45 A K H X S+ 0 0 80 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.915 108.9 50.1 -71.7 -43.8 -2.4 13.4 1.9 16 46 A F H X S+ 0 0 2 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.938 110.9 49.1 -59.5 -49.5 -1.0 12.5 5.4 17 47 A Q H < S+ 0 0 81 -4,-2.3 4,-0.5 1,-0.2 -1,-0.2 0.810 109.6 51.5 -62.1 -31.2 -4.0 14.1 7.2 18 48 A M H X S+ 0 0 81 -4,-1.2 4,-2.1 2,-0.2 3,-0.4 0.890 113.1 45.6 -73.1 -36.2 -6.5 12.3 4.9 19 49 A L H X>S+ 0 0 3 -4,-2.1 4,-3.6 2,-0.2 5,-0.7 0.869 108.3 56.2 -70.3 -37.0 -4.7 9.0 5.7 20 50 A M H <5S+ 0 0 64 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.653 116.7 37.9 -68.0 -15.2 -4.6 10.0 9.4 21 51 A S H 45S+ 0 0 98 -4,-0.5 -2,-0.2 -3,-0.4 -1,-0.2 0.659 118.0 49.2-104.6 -27.8 -8.4 10.3 9.0 22 52 A K H <5S+ 0 0 132 -4,-2.1 -2,-0.2 1,-0.1 -3,-0.2 0.888 130.6 18.6 -79.0 -44.2 -8.8 7.3 6.7 23 53 A H T ><5S+ 0 0 49 -4,-3.6 3,-2.4 1,-0.2 -3,-0.2 0.537 89.5 166.9-104.7 -11.0 -6.8 4.9 8.7 24 54 A Q T 3 < + 0 0 137 -5,-0.7 -1,-0.2 1,-0.3 6,-0.1 0.030 68.6 23.4 37.4-123.2 -7.0 6.8 12.0 25 55 A A T 3 S+ 0 0 61 -4,-0.1 2,-0.6 2,-0.1 -1,-0.3 0.770 113.0 82.4 -37.7 -37.4 -5.9 4.8 15.0 26 56 A H < + 0 0 128 -3,-2.4 4,-0.4 1,-0.2 -3,-0.1 -0.654 49.1 171.7 -81.4 118.0 -3.9 2.6 12.6 27 57 A V > + 0 0 12 -2,-0.6 4,-2.0 104,-0.1 5,-0.2 0.617 68.2 75.6 -96.5 -18.4 -0.5 4.1 11.7 28 58 A R H > S+ 0 0 111 1,-0.2 4,-1.5 2,-0.2 5,-0.2 0.965 99.5 41.8 -58.7 -54.9 0.7 1.0 9.9 29 59 A P H > S+ 0 0 39 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.868 110.1 60.2 -61.7 -36.3 -1.4 1.6 6.8 30 60 A Q H > S+ 0 0 0 -4,-0.4 4,-1.5 1,-0.2 3,-0.3 0.933 111.7 37.0 -57.2 -48.9 -0.6 5.4 6.9 31 61 A F H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.656 106.5 63.4 -82.2 -16.6 3.1 4.8 6.6 32 62 A E H < S+ 0 0 100 -4,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.743 107.6 49.0 -75.0 -21.4 3.0 1.9 4.1 33 63 A S H >X S+ 0 0 14 -4,-1.0 3,-1.6 -3,-0.3 4,-0.6 0.926 110.5 47.2 -78.0 -51.9 1.4 4.5 1.9 34 64 A L H >X S+ 0 0 0 -4,-1.5 3,-1.3 1,-0.3 4,-1.2 0.872 105.3 61.0 -58.0 -38.5 4.1 7.2 2.5 35 65 A E H 3< S+ 0 0 56 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.621 89.9 69.3 -66.8 -12.3 6.8 4.6 1.9 36 66 A K H <4 S+ 0 0 176 -3,-1.6 -1,-0.3 1,-0.2 3,-0.2 0.843 102.0 46.5 -71.6 -32.7 5.5 4.1 -1.7 37 67 A I H << S- 0 0 66 -3,-1.3 2,-0.2 -4,-0.6 -2,-0.2 0.851 140.8 -12.1 -74.2 -38.2 6.8 7.6 -2.4 38 68 A N >< - 0 0 14 -4,-1.2 3,-1.8 3,-0.1 -1,-0.3 -0.792 54.3-144.8-168.0 120.3 10.1 6.8 -0.7 39 69 A K T 3 S+ 0 0 153 1,-0.3 -4,-0.1 -2,-0.2 -3,-0.1 0.722 97.1 70.9 -61.2 -22.5 11.1 3.9 1.5 40 70 A D T 3 + 0 0 22 30,-0.1 2,-1.0 -5,-0.1 18,-0.9 0.486 68.2 107.2 -75.4 -2.0 13.3 6.2 3.6 41 71 A I E < +A 57 0A 0 -3,-1.8 16,-0.2 16,-0.2 -3,-0.1 -0.693 37.5 162.4 -81.0 106.7 10.2 7.9 5.1 42 72 A V E - 0 0 17 14,-2.1 89,-0.5 -2,-1.0 2,-0.3 0.494 55.7 -8.6-103.4 -7.7 10.3 6.5 8.6 43 73 A G E -A 56 0A 0 13,-1.3 13,-2.7 87,-0.2 2,-0.3 -0.959 54.2-118.1-168.9-174.9 8.0 9.0 10.4 44 74 A W E -AB 55 129A 2 85,-2.0 85,-2.4 11,-0.3 2,-0.5 -0.989 18.1-163.6-144.5 135.3 6.0 12.2 10.5 45 75 A I E +AB 54 128A 0 9,-3.0 9,-1.9 -2,-0.3 2,-0.4 -0.972 14.3 172.9-126.7 121.8 6.4 15.2 12.8 46 76 A K E -AB 53 127A 34 81,-2.3 81,-2.9 -2,-0.5 2,-0.5 -0.981 21.3-171.5-135.7 138.9 3.8 17.8 13.4 47 77 A L > - 0 0 2 5,-2.9 3,-1.3 -2,-0.4 5,-0.2 -0.969 35.8-123.0-123.8 109.9 3.2 20.8 15.7 48 78 A S T 3 S+ 0 0 79 -2,-0.5 3,-0.1 1,-0.2 4,-0.1 -0.161 91.1 20.6 -53.6 142.1 -0.3 22.2 15.4 49 79 A G T 3 S+ 0 0 81 1,-0.2 2,-0.3 2,-0.0 -1,-0.2 0.606 112.9 80.5 74.6 13.1 -0.6 25.9 14.4 50 80 A T S < S- 0 0 38 -3,-1.3 -1,-0.2 2,-0.3 -3,-0.2 -0.885 90.6-101.7-142.4 173.7 2.9 26.1 12.9 51 81 A S S S+ 0 0 27 -2,-0.3 2,-1.0 -3,-0.1 56,-0.3 0.657 89.3 104.0 -71.3 -17.0 4.9 25.3 9.8 52 82 A L + 0 0 3 -5,-0.2 -5,-2.9 54,-0.1 -2,-0.3 -0.577 40.2 116.0 -71.6 104.5 6.4 22.2 11.4 53 83 A N E +A 46 0A 15 -2,-1.0 -7,-0.2 -7,-0.3 -1,-0.1 -0.344 40.6 130.6-171.3 73.9 4.4 19.4 9.7 54 84 A Y E -A 45 0A 12 -9,-1.9 -9,-3.0 53,-0.1 2,-0.2 -0.819 56.4-100.7-133.5 169.2 6.7 17.2 7.7 55 85 A P E -A 44 0A 1 0, 0.0 25,-0.5 0, 0.0 2,-0.5 -0.602 37.9-129.7 -85.9 151.2 7.8 13.6 6.9 56 86 A V E -Ac 43 80A 0 -13,-2.7 -14,-2.1 -2,-0.2 -13,-1.3 -0.917 22.5-160.2-109.2 126.9 10.9 12.3 8.6 57 87 A L E -Ac 41 81A 0 23,-2.8 25,-3.2 -2,-0.5 2,-0.3 -0.579 10.6-171.2-101.0 165.0 13.6 10.6 6.5 58 88 A Q + 0 0 35 -18,-0.9 2,-0.1 23,-0.2 25,-0.1 -0.870 10.1 172.2-156.2 117.0 16.5 8.4 7.4 59 89 A G - 0 0 14 2,-0.5 6,-0.0 23,-0.3 23,-0.0 -0.312 53.3 -82.5-108.0-163.0 19.2 7.3 5.0 60 90 A K S S+ 0 0 173 -2,-0.1 2,-0.2 25,-0.0 -1,-0.0 0.802 110.4 23.5 -74.7 -29.7 22.5 5.4 5.6 61 91 A T S S- 0 0 41 22,-0.0 -2,-0.5 24,-0.0 3,-0.5 -0.736 83.6-106.3-128.1 177.7 24.3 8.5 6.8 62 92 A N S S+ 0 0 41 -2,-0.2 19,-0.1 1,-0.2 21,-0.0 0.121 116.9 49.6 -93.6 19.9 23.7 11.9 8.3 63 93 A H S > S+ 0 0 130 2,-0.0 3,-0.9 3,-0.0 4,-0.4 0.278 83.6 95.2-130.9 1.3 24.4 13.8 5.1 64 94 A D T 3 S+ 0 0 40 -3,-0.5 3,-0.2 1,-0.2 -2,-0.1 0.894 99.4 23.9 -61.0 -45.9 22.2 11.6 3.0 65 95 A Y T 3 S+ 0 0 2 -4,-0.3 14,-1.3 1,-0.1 3,-0.4 -0.002 90.0 110.3-112.1 29.6 19.1 13.9 3.2 66 96 A L S < S+ 0 0 4 -3,-0.9 -1,-0.1 1,-0.2 -2,-0.1 0.904 99.7 13.7 -67.4 -43.2 21.0 17.1 4.0 67 97 A N S S+ 0 0 52 -4,-0.4 8,-1.8 -3,-0.2 2,-0.4 -0.144 111.8 94.0-127.3 40.7 20.2 18.5 0.6 68 98 A L B -I 74 0B 17 -3,-0.4 6,-0.2 6,-0.3 8,-0.0 -0.998 59.5-143.1-135.4 133.0 17.4 16.2 -0.6 69 99 A D > - 0 0 4 4,-2.6 3,-1.5 -2,-0.4 10,-0.2 -0.119 46.6 -82.6 -79.4-174.5 13.6 16.5 -0.4 70 100 A F T 3 S+ 0 0 6 1,-0.3 -30,-0.1 8,-0.2 -29,-0.1 0.576 129.3 51.6 -71.5 -10.9 11.4 13.4 0.3 71 101 A E T 3 S- 0 0 59 2,-0.1 -1,-0.3 -33,-0.0 -2,-0.0 0.163 122.8-104.3-106.7 14.8 11.2 12.3 -3.4 72 102 A R S < S+ 0 0 120 -3,-1.5 2,-0.4 1,-0.2 -2,-0.1 0.886 74.1 138.1 65.1 46.4 15.0 12.4 -3.5 73 103 A E - 0 0 100 5,-0.1 -4,-2.6 -4,-0.0 -1,-0.2 -0.947 61.6 -93.1-119.4 141.5 15.5 15.6 -5.5 74 104 A H B +I 68 0B 161 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.3 -0.262 52.9 159.7 -57.4 132.5 18.1 18.3 -4.6 75 105 A R > - 0 0 23 -8,-1.8 3,-0.8 1,-0.1 4,-0.1 -0.977 43.6-134.0-150.6 144.5 16.9 21.1 -2.4 76 106 A R T 3 S+ 0 0 152 -2,-0.3 3,-0.1 1,-0.2 -8,-0.1 0.875 111.5 47.2 -69.8 -36.0 18.9 23.5 -0.2 77 107 A K T 3 S- 0 0 13 1,-0.2 23,-0.5 -10,-0.1 -1,-0.2 0.381 88.2-177.6 -85.1 2.8 16.5 23.0 2.7 78 108 A G < - 0 0 1 -3,-0.8 2,-0.3 21,-0.1 -1,-0.2 0.009 34.6 -76.0 36.2-124.4 16.7 19.2 2.2 79 109 A S - 0 0 2 -14,-1.3 2,-0.4 -10,-0.2 -11,-0.1 -0.957 43.1 -79.1-156.9 171.9 14.3 17.6 4.7 80 110 A I E -c 56 0A 0 -25,-0.5 -23,-2.8 -2,-0.3 2,-0.4 -0.676 56.5-179.5 -78.5 132.2 13.9 16.6 8.3 81 111 A F E -cD 57 98A 7 17,-1.9 17,-2.3 -2,-0.4 -23,-0.2 -0.989 26.1-125.8-141.4 149.1 15.8 13.4 9.0 82 112 A M E - D 0 97A 2 -25,-3.2 -23,-0.3 -2,-0.4 15,-0.3 -0.493 45.8 -88.4 -84.6 153.0 16.6 11.1 11.9 83 113 A D > - 0 0 1 13,-2.5 3,-2.4 -2,-0.2 -1,-0.1 -0.433 36.5-125.5 -61.9 132.9 20.2 10.2 12.9 84 114 A F T 3 S+ 0 0 94 1,-0.3 -1,-0.2 -2,-0.1 -2,-0.0 0.660 107.8 61.9 -55.7 -16.7 21.2 7.2 10.8 85 115 A R T 3 S+ 0 0 96 11,-0.1 -1,-0.3 2,-0.1 2,-0.3 0.576 80.9 102.6 -87.2 -12.2 22.0 5.4 14.0 86 116 A N < - 0 0 0 -3,-2.4 2,-0.3 10,-0.2 5,-0.1 -0.538 59.6-145.2 -82.2 138.2 18.5 5.4 15.5 87 117 A E - 0 0 120 -2,-0.3 5,-0.4 3,-0.2 2,-0.2 -0.707 8.3-143.1 -97.5 148.5 16.3 2.3 15.5 88 118 A L S S+ 0 0 33 -2,-0.3 2,-3.4 3,-0.1 -1,-0.0 -0.530 82.2 27.4 -99.5 173.3 12.5 2.4 15.0 89 119 A K S S+ 0 0 116 -2,-0.2 2,-0.5 1,-0.1 -1,-0.1 -0.278 128.0 46.7 72.0 -58.9 10.1 0.1 16.8 90 120 A N S S- 0 0 127 -2,-3.4 -3,-0.2 0, 0.0 -1,-0.1 -0.638 92.3-153.3-115.8 72.4 12.6 -0.2 19.6 91 121 A L - 0 0 22 -2,-0.5 -3,-0.1 -5,-0.1 2,-0.1 0.030 9.6-124.9 -44.8 144.4 13.7 3.4 20.3 92 122 A N - 0 0 21 -5,-0.4 3,-0.2 1,-0.1 95,-0.2 -0.314 37.3 -93.8 -82.2 173.2 17.1 4.2 21.7 93 123 A H S S+ 0 0 51 61,-0.3 94,-3.1 1,-0.3 2,-0.5 0.941 117.1 26.5 -53.1 -48.6 17.4 6.3 24.9 94 124 A N E S- e 0 187A 0 60,-2.4 2,-0.4 92,-0.2 -1,-0.3 -0.952 70.4-167.5-127.0 115.1 17.8 9.3 22.7 95 125 A T E - e 0 188A 2 92,-2.3 94,-3.5 -2,-0.5 2,-0.4 -0.811 14.5-154.9 -98.2 137.7 16.4 9.7 19.1 96 126 A I E - e 0 189A 0 -2,-0.4 -13,-2.5 92,-0.2 2,-0.3 -0.957 13.0-175.7-123.0 133.7 17.7 12.6 17.1 97 127 A L E -De 82 190A 0 92,-2.6 94,-2.9 -2,-0.4 2,-0.3 -0.873 9.7-160.9-118.2 152.0 16.1 14.5 14.2 98 128 A Y E +De 81 191A 14 -17,-2.3 -17,-1.9 -2,-0.3 2,-0.3 -0.897 14.3 162.3-130.6 160.7 17.8 17.3 12.1 99 129 A G E - e 0 192A 1 92,-1.0 94,-2.4 -2,-0.3 -19,-0.1 -0.955 36.5 -90.5-172.4 156.5 16.5 20.0 9.9 100 130 A H - 0 0 5 -23,-0.5 8,-2.0 -2,-0.3 2,-0.3 -0.330 21.5-161.3 -77.2 158.6 17.4 23.3 8.3 101 131 A H + 0 0 63 92,-0.4 6,-0.1 6,-0.1 91,-0.0 -0.836 31.2 144.3-140.9 93.1 16.9 26.8 9.7 102 132 A V - 0 0 45 -2,-0.3 -1,-0.1 4,-0.3 5,-0.1 0.523 67.6-107.5-110.9 -9.7 17.1 29.5 7.0 103 133 A G S S+ 0 0 61 3,-0.2 -2,-0.0 0, 0.0 0, 0.0 0.516 90.3 115.4 93.8 5.4 14.4 32.0 8.2 104 134 A D S S- 0 0 51 2,-0.1 3,-0.1 0, 0.0 -3,-0.0 0.595 90.8-113.6 -80.1 -10.4 12.0 31.0 5.4 105 135 A N S S+ 0 0 93 1,-0.3 2,-0.3 -53,-0.0 -4,-0.1 0.901 79.4 109.5 76.3 46.2 9.8 29.7 8.2 106 136 A T > + 0 0 14 -6,-0.1 3,-2.5 -54,-0.0 -1,-0.3 -0.868 64.4 4.6-141.9 174.1 10.1 26.1 7.2 107 137 A M T 3 S- 0 0 1 -56,-0.3 3,-0.5 1,-0.3 -6,-0.1 -0.236 134.5 -8.5 48.5-117.8 11.6 22.8 8.3 108 138 A F T > S+ 0 0 0 -8,-2.0 3,-1.5 1,-0.2 4,-0.3 0.135 98.6 113.2 -97.5 25.1 13.2 23.5 11.7 109 139 A D G X S+ 0 0 11 -3,-2.5 3,-1.1 1,-0.3 4,-0.3 0.814 70.8 64.8 -62.0 -29.1 12.7 27.3 11.7 110 140 A V G >> S+ 0 0 3 -3,-0.5 4,-0.8 1,-0.2 3,-0.8 0.599 79.3 80.7 -70.6 -13.2 10.2 26.9 14.6 111 141 A L G <4 S+ 0 0 2 -3,-1.5 3,-0.5 1,-0.2 -1,-0.2 0.824 86.4 59.7 -62.9 -28.4 12.9 25.6 16.9 112 142 A E G X4 S+ 0 0 87 -3,-1.1 3,-1.3 -4,-0.3 4,-0.3 0.774 95.8 60.5 -69.6 -28.3 14.0 29.2 17.5 113 143 A D G X4 S+ 0 0 49 -3,-0.8 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