==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-APR-08 2VSW . COMPND 2 MOLECULE: DUAL SPECIFICITY PROTEIN PHOSPHATASE 16; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.W.MURRAY,A.BARR,A.C.W.PIKE,J.ELKINS,C.PHILLIPS,J.WANG,P.SA . 268 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13238.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 195 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 13.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 2.2 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 33 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 27.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 3 2 4 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 2 2 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 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 2 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 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 5 A M 0 0 113 0, 0.0 104,-0.1 0, 0.0 105,-0.0 0.000 360.0 360.0 360.0 128.9 -11.6 -1.5 -4.2 2 6 A I - 0 0 143 102,-0.1 103,-0.1 103,-0.1 102,-0.0 0.956 360.0-153.4 -82.3 -65.0 -8.4 -3.2 -3.0 3 7 A G + 0 0 16 111,-0.2 2,-0.3 101,-0.1 112,-0.1 0.750 17.6 177.1 90.2 106.0 -7.1 -0.6 -0.5 4 8 A T E -a 115 0A 54 110,-0.5 112,-2.9 87,-0.1 2,-0.3 -0.879 14.2-138.0-133.8 168.4 -3.5 -0.2 0.4 5 9 A Q E -a 116 0A 83 -2,-0.3 2,-0.3 110,-0.3 112,-0.2 -0.821 6.9-159.5-126.0 162.9 -1.5 2.1 2.6 6 10 A I E -a 117 0A 28 110,-2.2 112,-2.4 -2,-0.3 2,-0.2 -0.988 24.2-129.7-135.6 138.3 1.8 4.1 2.7 7 11 A V >> - 0 0 71 -2,-0.3 4,-2.2 110,-0.2 3,-0.6 -0.560 26.4-106.4 -89.5 159.1 3.5 5.3 5.9 8 12 A T H 3> S+ 0 0 2 110,-0.5 4,-2.5 1,-0.3 5,-0.3 0.889 118.3 51.7 -46.1 -54.6 4.7 8.8 6.5 9 13 A E H 3> S+ 0 0 149 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.862 112.2 46.7 -53.5 -40.8 8.4 8.0 6.2 10 14 A R H <> S+ 0 0 155 -3,-0.6 4,-1.9 2,-0.2 -1,-0.2 0.821 109.0 53.9 -75.7 -31.4 7.7 6.3 2.8 11 15 A L H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.927 110.8 46.9 -63.7 -44.9 5.5 9.2 1.5 12 16 A V H X S+ 0 0 15 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.879 110.0 52.8 -65.4 -37.7 8.3 11.6 2.3 13 17 A A H < S+ 0 0 33 -4,-1.8 4,-0.5 -5,-0.3 -1,-0.2 0.889 111.9 47.9 -59.5 -38.9 10.8 9.3 0.6 14 18 A L H >< S+ 0 0 31 -4,-1.9 3,-0.7 2,-0.2 6,-0.5 0.898 112.7 46.2 -69.3 -44.6 8.4 9.4 -2.4 15 19 A L H 3< S+ 0 0 62 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.904 108.4 56.6 -65.3 -41.7 8.1 13.2 -2.3 16 20 A E T 3< S+ 0 0 168 -4,-2.8 2,-0.4 -5,-0.2 -1,-0.2 0.585 96.6 80.2 -69.4 -10.7 11.9 13.7 -2.0 17 21 A S S X S- 0 0 35 -3,-0.7 3,-0.5 -4,-0.5 -4,-0.0 -0.778 70.6-145.7-101.5 141.9 12.6 11.7 -5.1 18 22 A G T 3 S+ 0 0 94 -2,-0.4 3,-0.1 1,-0.2 -1,-0.1 0.026 83.5 98.1 -83.8 26.3 12.4 12.9 -8.7 19 23 A T T 3 S+ 0 0 106 -5,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.917 85.7 15.5 -80.6 -49.0 11.3 9.3 -9.3 20 24 A E < - 0 0 80 -3,-0.5 2,-0.5 -6,-0.5 -1,-0.2 -0.930 68.7-123.2-131.5 151.4 7.5 9.7 -9.3 21 25 A K - 0 0 115 -2,-0.3 59,-2.1 57,-0.2 2,-0.4 -0.844 34.6-152.7 -92.5 126.2 4.9 12.5 -9.6 22 26 A V E -b 80 0A 11 -2,-0.5 2,-0.7 57,-0.2 59,-0.2 -0.829 15.8-156.0-108.8 136.2 2.6 12.5 -6.6 23 27 A L E -b 81 0A 8 57,-2.9 59,-2.1 -2,-0.4 2,-0.5 -0.944 18.6-161.3-105.0 110.5 -1.0 13.6 -6.3 24 28 A L E -b 82 0A 7 -2,-0.7 18,-3.2 16,-0.5 2,-0.5 -0.835 7.4-169.7 -97.4 123.0 -1.6 14.5 -2.6 25 29 A I E -bc 83 42A 0 57,-2.6 59,-1.5 -2,-0.5 2,-0.6 -0.959 13.4-159.0-122.3 125.0 -5.3 14.6 -1.6 26 30 A D E -bc 84 43A 0 16,-2.9 18,-2.8 -2,-0.5 59,-0.2 -0.893 7.3-175.2-102.3 113.9 -6.7 15.9 1.8 27 31 A S + 0 0 2 57,-2.7 58,-0.1 -2,-0.6 59,-0.1 0.125 47.6 105.4-100.2 20.6 -10.1 14.5 2.3 28 32 A R S S- 0 0 8 56,-0.2 18,-0.3 1,-0.2 16,-0.1 -0.457 83.9 -73.9 -92.8 168.5 -10.9 16.4 5.5 29 33 A P >> - 0 0 56 0, 0.0 4,-1.9 0, 0.0 3,-0.8 -0.296 48.1-113.0 -56.7 148.0 -13.2 19.4 6.1 30 34 A F H 3> S+ 0 0 117 1,-0.3 4,-3.7 2,-0.2 5,-0.3 0.753 112.6 62.3 -62.7 -30.6 -11.8 22.7 4.7 31 35 A V H 3> S+ 0 0 87 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.913 108.5 44.5 -61.3 -41.2 -11.4 24.4 8.1 32 36 A E H <> S+ 0 0 65 -3,-0.8 4,-2.7 2,-0.2 -2,-0.2 0.959 116.2 46.3 -63.7 -53.3 -8.9 21.6 8.9 33 37 A Y H < S+ 0 0 40 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.2 0.964 115.1 45.1 -53.0 -59.0 -7.2 21.9 5.6 34 38 A N H < S+ 0 0 91 -4,-3.7 -1,-0.2 1,-0.2 -2,-0.2 0.825 112.0 55.0 -57.0 -33.6 -7.0 25.7 5.6 35 39 A T H < S- 0 0 97 -4,-1.8 2,-0.3 -5,-0.3 -1,-0.2 0.942 132.9 -31.9 -64.1 -49.6 -5.8 25.4 9.2 36 40 A S < + 0 0 32 -4,-2.7 -1,-0.3 -5,-0.1 2,-0.3 -0.895 68.1 157.8-171.6 142.3 -3.0 23.1 8.3 37 41 A H E -E 133 0B 14 96,-1.4 96,-3.0 -2,-0.3 2,-0.2 -0.953 49.2 -70.6-157.7 172.3 -2.2 20.4 5.7 38 42 A I E > S-E 132 0B 0 -2,-0.3 3,-1.3 94,-0.3 94,-0.3 -0.523 70.3 -84.3 -73.0 137.7 0.6 18.6 4.0 39 43 A L T 3 S+ 0 0 50 92,-2.8 -1,-0.1 1,-0.3 -15,-0.1 -0.055 111.1 3.9 -46.3 134.3 2.4 20.9 1.4 40 44 A E T 3 S+ 0 0 158 1,-0.2 -16,-0.5 -3,-0.1 2,-0.4 0.829 89.7 155.4 58.7 34.5 0.7 21.0 -2.0 41 45 A A < - 0 0 3 -3,-1.3 2,-0.5 -18,-0.1 -16,-0.2 -0.789 40.2-131.8 -91.4 137.9 -2.2 18.8 -0.8 42 46 A I E -c 25 0A 23 -18,-3.2 -16,-2.9 -2,-0.4 2,-0.6 -0.777 17.9-130.4 -91.0 126.2 -5.4 19.2 -2.8 43 47 A N E -c 26 0A 24 -2,-0.5 2,-0.6 25,-0.4 -16,-0.2 -0.658 21.7-172.6 -81.1 118.8 -8.5 19.7 -0.7 44 48 A I - 0 0 0 -18,-2.8 21,-0.1 -2,-0.6 20,-0.0 -0.926 33.0-115.8-112.6 106.8 -11.4 17.3 -1.6 45 49 A N - 0 0 70 -2,-0.6 2,-1.3 1,-0.2 -17,-0.1 -0.079 12.7-141.8 -46.2 124.4 -14.5 18.3 0.3 46 50 A C + 0 0 54 -18,-0.3 -1,-0.2 4,-0.1 53,-0.1 -0.149 46.3 158.4 -80.4 43.1 -15.6 15.5 2.7 47 51 A S > - 0 0 35 -2,-1.3 4,-1.9 1,-0.1 5,-0.1 -0.392 49.1-144.4 -81.3 144.1 -19.3 16.3 1.9 48 52 A K H > S+ 0 0 90 2,-0.2 4,-1.3 1,-0.2 -1,-0.1 0.802 107.9 50.3 -69.3 -30.2 -22.2 13.9 2.4 49 53 A L H > S+ 0 0 129 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.921 109.1 49.2 -69.8 -47.2 -23.7 15.4 -0.7 50 54 A M H > S+ 0 0 27 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.842 107.0 56.8 -63.8 -33.4 -20.5 15.0 -2.7 51 55 A K H X S+ 0 0 37 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.915 107.3 49.0 -61.4 -43.2 -20.3 11.4 -1.6 52 56 A R H X S+ 0 0 150 -4,-1.3 4,-1.8 1,-0.2 -2,-0.2 0.895 111.2 48.5 -63.0 -42.2 -23.8 10.8 -3.1 53 57 A R H <>S+ 0 0 116 -4,-2.0 5,-2.7 2,-0.2 6,-1.1 0.850 110.5 51.4 -71.4 -33.7 -22.9 12.4 -6.4 54 58 A L H ><5S+ 0 0 0 -4,-2.1 3,-0.7 3,-0.2 -1,-0.2 0.911 113.7 43.3 -66.9 -44.1 -19.7 10.4 -6.7 55 59 A Q H 3<5S+ 0 0 61 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.750 111.3 54.1 -75.8 -22.9 -21.5 7.1 -6.1 56 60 A Q T 3<5S- 0 0 108 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.526 111.3-130.3 -77.4 -7.1 -24.3 8.3 -8.4 57 61 A D T < 5S+ 0 0 74 -3,-0.7 -3,-0.2 2,-0.2 -2,-0.1 0.780 74.1 124.8 59.7 30.0 -21.5 8.8 -10.9 58 62 A K S > - 0 0 18 -2,-0.4 4,-2.6 1,-0.1 3,-0.7 -0.822 15.7-130.9 -98.3 140.4 -16.1 12.2 -11.8 61 65 A I H 3> S+ 0 0 4 -2,-0.4 4,-2.7 1,-0.3 5,-0.2 0.881 112.4 53.4 -56.5 -38.1 -13.2 12.0 -9.3 62 66 A T H 3> S+ 0 0 6 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.824 110.2 48.7 -63.5 -31.6 -10.9 13.5 -12.0 63 67 A E H <> S+ 0 0 61 -3,-0.7 4,-1.7 2,-0.2 -2,-0.2 0.888 111.6 47.9 -73.0 -41.5 -13.5 16.3 -12.3 64 68 A L H X S+ 0 0 15 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.912 108.6 54.9 -66.9 -43.5 -13.6 16.9 -8.6 65 69 A I H < S+ 0 0 0 -4,-2.7 4,-0.4 1,-0.2 -1,-0.2 0.905 111.7 42.8 -54.8 -48.6 -9.8 16.9 -8.2 66 70 A Q H < S+ 0 0 39 -4,-1.3 3,-0.5 1,-0.2 7,-0.3 0.811 113.5 51.0 -71.1 -33.6 -9.3 19.7 -10.9 67 71 A H H < S+ 0 0 83 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.767 110.1 52.1 -73.2 -25.7 -12.3 21.8 -9.6 68 72 A S S < S+ 0 0 37 -4,-1.7 2,-0.5 -5,-0.2 -25,-0.4 0.524 91.0 98.4 -87.4 -8.7 -10.8 21.5 -6.1 69 73 A A - 0 0 19 -3,-0.5 4,-0.1 -4,-0.4 -27,-0.1 -0.710 52.3-167.2 -91.2 125.2 -7.4 22.7 -7.2 70 74 A K S S+ 0 0 131 -2,-0.5 -1,-0.2 2,-0.1 -28,-0.0 0.913 89.0 55.1 -65.5 -45.2 -6.3 26.3 -6.8 71 75 A H S S- 0 0 74 -3,-0.1 2,-1.0 1,-0.1 -2,-0.1 -0.245 112.6 -95.1 -70.0 169.3 -3.5 25.4 -9.1 72 76 A K - 0 0 96 -2,-0.0 2,-0.1 -5,-0.0 -2,-0.1 -0.837 53.3-141.4 -87.0 102.6 -4.3 23.8 -12.5 73 77 A V - 0 0 15 -2,-1.0 2,-0.7 -7,-0.3 -7,-0.1 -0.368 2.2-127.1 -73.6 141.8 -4.0 20.2 -11.4 74 78 A D - 0 0 64 -2,-0.1 2,-0.6 2,-0.1 -1,-0.1 -0.787 19.7-162.3 -85.9 116.9 -2.4 17.5 -13.6 75 79 A I + 0 0 18 -2,-0.7 2,-0.3 3,-0.0 -13,-0.0 -0.912 28.3 146.6 -99.4 123.5 -4.7 14.5 -14.0 76 80 A D > - 0 0 37 -2,-0.6 3,-2.6 169,-0.1 169,-0.2 -0.878 48.7-136.2-161.7 118.3 -2.7 11.6 -15.2 77 81 A C T 3 S+ 0 0 5 167,-2.3 35,-2.0 -2,-0.3 36,-0.3 0.502 101.9 64.9 -65.9 -1.6 -3.4 8.0 -14.3 78 82 A S T 3 S+ 0 0 60 166,-0.3 -1,-0.3 33,-0.1 2,-0.2 0.546 76.1 110.9 -94.6 -10.5 0.3 7.3 -13.7 79 83 A Q S < S- 0 0 3 -3,-2.6 2,-0.6 1,-0.1 34,-0.5 -0.453 75.7-121.6 -64.2 131.1 0.5 9.7 -10.8 80 84 A K E -b 22 0A 55 -59,-2.1 -57,-2.9 -2,-0.2 2,-0.6 -0.671 32.6-154.3 -72.6 119.5 1.0 8.1 -7.4 81 85 A V E -bd 23 114A 0 32,-2.5 34,-2.6 -2,-0.6 2,-0.5 -0.884 13.3-172.4-105.1 120.9 -2.0 9.3 -5.4 82 86 A V E -bd 24 115A 1 -59,-2.1 -57,-2.6 -2,-0.6 2,-0.3 -0.959 6.4-168.7-112.7 122.6 -1.9 9.4 -1.6 83 87 A V E +bd 25 116A 0 32,-2.7 34,-2.5 -2,-0.5 2,-0.3 -0.799 7.6 177.7-107.6 151.9 -5.1 10.2 0.2 84 88 A Y E -b 26 0A 0 -59,-1.5 -57,-2.7 -2,-0.3 -56,-0.2 -0.996 15.0-176.8-151.8 147.0 -5.4 11.1 3.9 85 89 A D - 0 0 32 -2,-0.3 36,-2.7 32,-0.3 37,-0.2 -0.364 56.1 -70.4-116.1-152.3 -8.0 12.0 6.5 86 90 A Q S S- 0 0 72 34,-0.2 36,-2.4 -2,-0.2 37,-0.3 0.925 108.9 -20.7 -75.2 -43.8 -7.4 13.0 10.2 87 91 A S S S+ 0 0 69 33,-0.2 2,-0.4 34,-0.2 33,-0.2 0.125 74.4 150.3-161.7 32.5 -6.4 9.7 11.8 88 92 A S - 0 0 17 1,-0.2 31,-2.1 29,-0.1 32,-0.4 -0.615 27.5-161.3 -75.8 128.5 -7.4 6.5 9.8 89 93 A Q - 0 0 107 -2,-0.4 2,-0.3 1,-0.2 -1,-0.2 0.877 66.2 -16.0 -79.3 -40.6 -4.8 3.8 10.5 90 94 A D > - 0 0 57 28,-0.1 3,-0.9 29,-0.1 -1,-0.2 -0.968 66.8-100.3-156.4 169.5 -5.7 1.6 7.5 91 95 A V G > S+ 0 0 17 -2,-0.3 3,-1.6 1,-0.2 -1,-0.1 0.843 115.3 62.9 -62.4 -33.8 -8.4 1.0 4.9 92 96 A A G 3 S+ 0 0 91 1,-0.3 -1,-0.2 -89,-0.1 -89,-0.0 0.751 92.9 63.4 -67.0 -23.9 -9.8 -2.0 6.8 93 97 A S G < S+ 0 0 74 -3,-0.9 -1,-0.3 2,-0.1 2,-0.3 0.293 88.4 96.0 -85.2 11.1 -10.7 0.2 9.8 94 98 A L S < S- 0 0 33 -3,-1.6 2,-0.3 -6,-0.1 -3,-0.0 -0.697 80.8-110.9-100.0 153.7 -13.2 2.2 7.6 95 99 A S > - 0 0 73 -2,-0.3 3,-1.4 1,-0.1 6,-0.2 -0.618 29.6-118.5 -81.6 144.9 -16.9 1.7 7.2 96 100 A S T 3 S+ 0 0 116 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.652 108.3 37.8 -60.0 -17.8 -18.0 0.3 3.8 97 101 A D T 3 S+ 0 0 93 4,-0.1 -1,-0.3 5,-0.0 5,-0.0 0.341 85.8 116.8-120.2 4.0 -20.1 3.3 3.0 98 102 A C S <> S- 0 0 35 -3,-1.4 4,-2.0 1,-0.1 5,-0.1 -0.158 74.6-106.2 -73.4 172.2 -18.2 6.3 4.3 99 103 A F H > S+ 0 0 14 2,-0.2 4,-3.4 1,-0.2 5,-0.2 0.944 116.5 50.6 -66.8 -52.2 -16.9 9.1 2.1 100 104 A L H > S+ 0 0 10 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.887 111.8 50.0 -51.7 -44.6 -13.2 8.2 2.3 101 105 A T H > S+ 0 0 17 -6,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.900 112.8 46.1 -61.1 -46.0 -14.0 4.6 1.3 102 106 A V H X S+ 0 0 17 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.895 111.5 53.6 -60.3 -42.7 -16.1 5.9 -1.6 103 107 A L H X S+ 0 0 0 -4,-3.4 4,-2.2 1,-0.2 -2,-0.2 0.903 106.4 51.4 -60.8 -43.8 -13.3 8.2 -2.5 104 108 A L H X S+ 0 0 2 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.878 107.9 52.6 -62.9 -39.8 -10.7 5.4 -2.6 105 109 A G H X S+ 0 0 17 -4,-1.6 4,-1.1 2,-0.2 -2,-0.2 0.960 111.3 44.8 -60.2 -53.1 -12.9 3.3 -4.9 106 110 A K H X S+ 0 0 39 -4,-2.0 4,-1.0 1,-0.2 3,-0.3 0.876 115.9 48.4 -58.5 -39.5 -13.3 6.1 -7.5 107 111 A L H >X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 3,-0.5 0.887 105.3 56.0 -70.4 -40.8 -9.6 6.9 -7.3 108 112 A E H 3< S+ 0 0 46 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.728 107.7 52.4 -65.7 -19.9 -8.5 3.3 -7.7 109 113 A K H 3< S+ 0 0 86 -4,-1.1 103,-2.6 -3,-0.3 104,-0.4 0.763 117.1 35.3 -83.5 -29.0 -10.5 3.3 -10.9 110 114 A S H << S+ 0 0 13 -4,-1.0 2,-0.4 -3,-0.5 -2,-0.2 0.612 120.5 47.8-101.2 -16.8 -8.9 6.4 -12.4 111 115 A F < - 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