==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE INHIBITOR 11-OCT-99 1D5S . COMPND 2 MOLECULE: P1-ARG ANTITRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.A.DUNSTONE,W.DAI,J.C.WHISSTOCK,J.ROSSJOHN,R.N.PIKE, . 375 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17258.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 268 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 87 23.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 0.3 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-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 . 34 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 24.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 0 1 1 0 1 2 0 1 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 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 . 2 1 1 0 1 1 4 1 1 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 1 0 1 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 20 A H 0 0 238 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -51.4 13.2 63.5 -4.4 2 21 A P - 0 0 58 0, 0.0 74,-0.1 0, 0.0 3,-0.0 -0.222 360.0-145.4 -60.3 143.1 13.0 64.1 -0.6 3 22 A T S > S+ 0 0 28 1,-0.2 3,-2.1 72,-0.1 4,-0.3 0.887 85.4 67.7 -80.4 -41.2 12.6 67.7 0.7 4 23 A F G >> S+ 0 0 24 1,-0.3 3,-3.1 2,-0.2 4,-2.2 0.831 85.8 68.7 -51.9 -39.7 14.6 67.7 3.9 5 24 A N G 34 S+ 0 0 86 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.521 92.3 66.2 -61.8 3.0 18.0 67.2 2.2 6 25 A K G <4 S+ 0 0 109 -3,-2.1 -1,-0.3 2,-0.1 -2,-0.2 0.653 113.7 26.7 -93.8 -20.6 17.3 70.7 1.0 7 26 A I T X> S+ 0 0 1 -3,-3.1 4,-2.4 -4,-0.3 3,-0.9 0.573 98.5 86.9-115.3 -17.0 17.6 72.1 4.5 8 27 A T H 3X S+ 0 0 9 -4,-2.2 4,-2.6 1,-0.3 5,-0.2 0.864 90.3 50.4 -53.5 -43.4 19.9 69.6 6.3 9 28 A P H 3> S+ 0 0 40 0, 0.0 4,-1.6 0, 0.0 -1,-0.3 0.782 110.5 52.6 -67.3 -23.5 23.1 71.4 5.2 10 29 A N H <> S+ 0 0 36 -3,-0.9 4,-2.1 2,-0.2 -2,-0.2 0.931 111.2 43.7 -74.5 -48.0 21.5 74.6 6.5 11 30 A L H X S+ 0 0 1 -4,-2.4 4,-2.6 1,-0.2 -3,-0.2 0.908 114.6 52.4 -62.0 -42.7 20.8 73.1 9.9 12 31 A A H X S+ 0 0 10 -4,-2.6 4,-1.4 -5,-0.2 -1,-0.2 0.856 112.5 42.3 -63.7 -37.6 24.2 71.5 9.9 13 32 A E H X S+ 0 0 45 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.822 113.9 53.3 -79.0 -27.4 26.0 74.8 9.2 14 33 A F H X S+ 0 0 0 -4,-2.1 4,-2.6 47,-0.3 5,-0.3 0.879 105.2 56.3 -68.2 -38.5 23.7 76.5 11.7 15 34 A A H X S+ 0 0 2 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.897 111.5 40.7 -59.6 -44.2 24.8 73.8 14.2 16 35 A F H X S+ 0 0 7 -4,-1.4 4,-2.8 2,-0.2 -1,-0.2 0.860 113.1 54.6 -73.6 -37.5 28.4 74.7 13.8 17 36 A S H X S+ 0 0 39 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.950 114.1 40.4 -60.1 -50.7 27.8 78.4 13.7 18 37 A L H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.863 112.8 57.0 -65.6 -39.3 25.9 78.3 17.0 19 38 A Y H X S+ 0 0 5 -4,-1.9 4,-2.2 -5,-0.3 5,-0.2 0.956 105.0 50.5 -56.2 -55.4 28.5 75.8 18.4 20 39 A R H X S+ 0 0 48 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.895 109.0 51.8 -51.3 -47.0 31.4 78.2 17.7 21 40 A Q H >X S+ 0 0 44 -4,-1.7 4,-1.0 1,-0.2 3,-0.8 0.956 110.2 48.0 -56.8 -51.4 29.6 81.0 19.5 22 41 A L H 3X S+ 0 0 7 -4,-2.2 4,-0.9 1,-0.3 3,-0.3 0.831 110.1 53.1 -58.9 -33.7 28.9 78.9 22.6 23 42 A A H 3< S+ 0 0 9 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.759 102.5 59.3 -73.4 -24.9 32.6 77.8 22.6 24 43 A H H << S+ 0 0 114 -4,-1.5 -1,-0.2 -3,-0.8 -2,-0.2 0.744 97.1 61.9 -76.2 -24.4 33.7 81.5 22.6 25 44 A Q H < S- 0 0 115 -4,-1.0 2,-0.4 -3,-0.3 -2,-0.2 0.986 123.0 -2.2 -65.1 -77.4 31.9 82.3 25.8 26 45 A S < - 0 0 43 -4,-0.9 3,-0.3 1,-0.1 -1,-0.3 -0.917 53.5-164.7-116.5 145.7 33.8 79.9 28.1 27 46 A N S S+ 0 0 128 -2,-0.4 -1,-0.1 1,-0.2 -4,-0.1 0.447 88.1 56.2-102.7 -0.7 36.5 77.4 27.1 28 47 A S S S+ 0 0 78 2,-0.1 2,-0.4 164,-0.0 -1,-0.2 0.019 88.6 89.8-118.4 24.9 36.4 75.4 30.3 29 48 A T S S- 0 0 52 -3,-0.3 -3,-0.1 -6,-0.1 2,-0.1 -0.976 78.4-111.2-127.4 138.2 32.7 74.4 30.3 30 49 A N - 0 0 5 -2,-0.4 2,-0.4 342,-0.2 340,-0.2 -0.380 32.8-152.6 -64.1 140.3 31.1 71.4 28.8 31 50 A I E +A 369 0A 4 338,-2.1 338,-1.9 245,-0.1 2,-0.2 -0.920 25.7 152.6-117.3 143.2 28.8 72.1 25.8 32 51 A F E +A 368 0A 0 -2,-0.4 285,-0.3 336,-0.2 2,-0.3 -0.710 9.7 144.6-171.6 115.2 25.8 70.1 24.7 33 52 A F E -A 367 0A 0 334,-2.1 334,-2.2 -2,-0.2 244,-0.0 -0.849 46.3-108.3-142.9 177.6 22.7 71.3 22.8 34 53 A S > - 0 0 0 -2,-0.3 4,-2.0 332,-0.2 5,-0.3 -0.867 18.7-166.6-118.8 98.5 20.3 70.1 20.2 35 54 A P H > S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.924 90.8 49.8 -43.1 -56.8 20.7 71.8 16.8 36 55 A V H > S+ 0 0 2 328,-1.1 4,-2.9 329,-0.3 5,-0.3 0.885 108.7 50.8 -50.8 -50.8 17.3 70.4 15.6 37 56 A S H > S+ 0 0 1 328,-0.4 4,-1.4 1,-0.2 -1,-0.2 0.915 111.2 46.8 -57.2 -48.5 15.3 71.5 18.6 38 57 A I H X S+ 0 0 0 -4,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.829 116.9 45.8 -64.7 -33.0 16.5 75.1 18.6 39 58 A A H X S+ 0 0 0 -4,-1.9 4,-1.7 -5,-0.3 -2,-0.2 0.904 107.5 50.5 -81.0 -44.6 15.9 75.3 14.9 40 59 A T H X S+ 0 0 1 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.846 109.3 56.5 -65.7 -27.6 12.4 73.8 14.5 41 60 A A H X S+ 0 0 0 -4,-1.4 4,-0.6 -5,-0.3 -1,-0.2 0.944 111.2 39.0 -67.5 -50.0 11.2 76.0 17.2 42 61 A F H X S+ 0 0 0 -4,-1.2 4,-1.7 2,-0.2 -1,-0.2 0.734 111.8 62.6 -70.7 -23.0 12.3 79.3 15.6 43 62 A A H X S+ 0 0 1 -4,-1.7 4,-0.6 1,-0.2 -2,-0.2 0.964 107.2 40.9 -66.3 -50.9 11.1 77.8 12.3 44 63 A M H < S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.2 4,-0.2 0.565 111.3 58.7 -76.1 -6.2 7.6 77.5 13.5 45 64 A L H >< S+ 0 0 1 -4,-0.6 3,-2.0 2,-0.2 -1,-0.2 0.840 94.7 62.1 -86.0 -38.1 7.8 81.0 15.2 46 65 A S H >< S+ 0 0 1 -4,-1.7 3,-2.1 1,-0.3 -2,-0.2 0.775 89.6 72.4 -56.9 -27.7 8.6 82.8 12.0 47 66 A L T 3< S+ 0 0 30 -4,-0.6 -1,-0.3 1,-0.3 -2,-0.2 0.839 102.3 42.1 -55.7 -34.7 5.2 81.6 10.7 48 67 A G T < S+ 0 0 0 -3,-2.0 253,-0.8 -4,-0.2 254,-0.7 0.114 107.0 79.5-101.7 20.8 3.7 84.2 13.1 49 68 A T < - 0 0 9 -3,-2.1 2,-0.3 252,-0.2 250,-0.2 -0.685 58.0-156.3-120.2 176.0 6.2 87.0 12.4 50 69 A K >> - 0 0 101 248,-1.2 3,-1.1 -2,-0.2 4,-0.5 -0.994 45.3 -7.1-154.4 155.5 6.6 89.6 9.7 51 70 A A H 3> S- 0 0 58 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 -0.348 120.1 -8.0 66.1-134.9 9.2 91.9 8.1 52 71 A D H 3> S+ 0 0 90 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.645 135.6 56.2 -71.1 -18.4 12.7 92.3 9.4 53 72 A T H <> S+ 0 0 2 -3,-1.1 4,-1.2 2,-0.2 -1,-0.2 0.830 111.9 44.0 -81.7 -32.2 11.8 90.2 12.5 54 73 A H H X S+ 0 0 18 -4,-0.5 4,-2.1 2,-0.2 5,-0.2 0.956 114.5 47.6 -72.6 -52.4 10.7 87.4 10.2 55 74 A D H X S+ 0 0 60 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.855 107.7 55.2 -59.4 -40.2 13.6 87.6 7.8 56 75 A E H X S+ 0 0 51 -4,-1.3 4,-2.0 2,-0.2 -1,-0.2 0.949 108.6 49.3 -58.6 -49.6 16.3 87.7 10.6 57 76 A I H >X S+ 0 0 0 -4,-1.2 4,-1.4 2,-0.2 3,-0.7 0.974 115.4 40.9 -54.0 -61.7 14.9 84.5 12.0 58 77 A L H 3<>S+ 0 0 1 -4,-2.1 5,-1.0 1,-0.3 3,-0.3 0.880 119.2 46.4 -56.3 -41.1 14.9 82.6 8.7 59 78 A E H ><5S+ 0 0 118 -4,-2.9 3,-0.8 -5,-0.2 -1,-0.3 0.709 106.8 59.9 -74.4 -20.3 18.2 84.1 7.7 60 79 A G H <<5S+ 0 0 4 -4,-2.0 -1,-0.2 -3,-0.7 -2,-0.2 0.791 97.6 57.1 -77.3 -27.0 19.6 83.3 11.1 61 80 A L T 3<5S- 0 0 3 -4,-1.4 -47,-0.3 -3,-0.3 -1,-0.2 0.314 129.6 -97.2 -84.0 7.9 19.0 79.6 10.8 62 81 A N T < 5S+ 0 0 62 -3,-0.8 2,-0.6 1,-0.2 -3,-0.2 0.868 74.6 144.3 78.8 45.2 21.2 79.8 7.6 63 82 A F < - 0 0 3 -5,-1.0 2,-2.4 -53,-0.0 -1,-0.2 -0.926 45.2-145.8-117.5 111.1 18.6 80.1 4.8 64 83 A N >> - 0 0 82 -2,-0.6 3,-2.2 1,-0.2 4,-1.6 -0.502 18.2-157.6 -74.9 82.2 19.4 82.3 1.8 65 84 A L T 34 S+ 0 0 41 -2,-2.4 5,-0.3 1,-0.3 -1,-0.2 0.634 85.7 58.0 -32.4 -31.2 15.8 83.4 1.4 66 85 A T T 34 S+ 0 0 127 1,-0.2 -1,-0.3 3,-0.1 -2,-0.1 0.900 110.2 41.4 -72.7 -42.0 16.5 84.3 -2.3 67 86 A E T <4 S+ 0 0 151 -3,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.821 121.2 41.5 -76.4 -33.3 17.6 80.8 -3.2 68 87 A I S < S- 0 0 14 -4,-1.6 2,-0.2 4,-0.0 -1,-0.2 -0.917 82.1-131.8-127.0 112.1 15.0 79.0 -1.2 69 88 A P >> - 0 0 70 0, 0.0 3,-3.1 0, 0.0 4,-1.1 -0.376 22.6-124.8 -60.8 119.4 11.3 80.1 -1.0 70 89 A E H 3> S+ 0 0 76 1,-0.3 4,-1.9 -5,-0.3 5,-0.3 0.722 108.8 66.4 -32.7 -35.3 10.1 80.1 2.5 71 90 A A H 3> S+ 0 0 75 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.886 101.0 46.2 -61.2 -40.8 7.3 77.8 1.4 72 91 A Q H <> S+ 0 0 65 -3,-3.1 4,-3.5 2,-0.2 5,-0.3 0.929 107.3 60.5 -67.4 -43.4 9.8 75.0 0.7 73 92 A I H X S+ 0 0 3 -4,-1.1 4,-2.1 1,-0.2 -2,-0.2 0.938 108.5 39.9 -44.3 -66.8 11.5 75.6 4.1 74 93 A H H X S+ 0 0 5 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.829 116.6 53.9 -55.4 -33.9 8.5 74.9 6.3 75 94 A E H X S+ 0 0 84 -4,-1.3 4,-1.5 -5,-0.3 -2,-0.2 0.904 108.5 46.1 -69.1 -45.0 7.6 72.1 3.9 76 95 A G H X S+ 0 0 1 -4,-3.5 4,-2.5 1,-0.2 -2,-0.2 0.804 113.2 52.6 -68.0 -28.2 11.0 70.4 4.2 77 96 A F H X S+ 0 0 0 -4,-2.1 4,-2.4 -5,-0.3 -2,-0.2 0.895 104.6 53.7 -71.8 -41.5 10.7 70.9 8.0 78 97 A Q H X S+ 0 0 42 -4,-2.1 4,-1.1 1,-0.2 -2,-0.2 0.833 114.8 43.2 -59.9 -35.7 7.3 69.2 8.1 79 98 A E H X S+ 0 0 69 -4,-1.5 4,-2.2 2,-0.2 5,-0.2 0.893 108.8 55.9 -75.8 -47.4 8.9 66.2 6.3 80 99 A L H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.888 109.1 48.2 -55.1 -41.9 12.1 66.2 8.4 81 100 A L H X S+ 0 0 3 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.906 107.9 56.8 -64.8 -41.8 9.9 66.0 11.5 82 101 A R H X S+ 0 0 118 -4,-1.1 4,-0.9 1,-0.2 3,-0.4 0.961 110.4 42.0 -49.0 -64.5 7.9 63.1 9.9 83 102 A T H >< S+ 0 0 30 -4,-2.2 3,-0.8 1,-0.2 -1,-0.2 0.861 112.1 53.5 -54.0 -46.7 11.0 60.9 9.3 84 103 A L H 3< S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.857 108.1 52.5 -61.2 -34.8 12.6 61.6 12.7 85 104 A N H 3< S+ 0 0 61 -4,-2.1 -1,-0.2 -3,-0.4 -2,-0.2 0.654 99.1 64.4 -77.9 -16.4 9.3 60.6 14.4 86 105 A Q S << S- 0 0 142 -4,-0.9 -1,-0.2 -3,-0.8 8,-0.1 -0.750 80.8-178.7-105.7 80.3 9.2 57.3 12.6 87 106 A P - 0 0 41 0, 0.0 5,-0.1 0, 0.0 -3,-0.1 -0.299 32.9 -91.5 -76.2 164.6 12.3 55.7 14.0 88 107 A D - 0 0 72 1,-0.1 5,-0.1 3,-0.1 138,-0.0 0.070 45.5-101.4 -60.1-175.5 13.7 52.3 13.2 89 108 A S S S+ 0 0 105 1,-0.2 -1,-0.1 3,-0.1 138,-0.1 0.831 119.4 45.1 -85.0 -31.7 12.6 49.4 15.5 90 109 A Q S S+ 0 0 99 1,-0.1 2,-0.4 135,-0.1 136,-0.2 0.523 111.3 61.9 -87.5 -5.2 15.7 49.2 17.7 91 110 A L - 0 0 1 82,-0.1 2,-0.4 134,-0.1 82,-0.2 -0.931 67.3-154.3-129.8 113.2 15.9 53.0 18.1 92 111 A Q E +G 172 0B 95 80,-1.0 80,-2.0 -2,-0.4 2,-0.3 -0.667 20.1 167.7 -86.8 136.6 13.3 55.3 19.8 93 112 A L E +G 171 0B 1 -2,-0.4 2,-0.3 78,-0.2 78,-0.2 -0.825 3.5 169.7-151.7 105.9 13.3 58.9 18.7 94 113 A T E +G 170 0B 55 76,-1.5 76,-3.7 -2,-0.3 2,-0.3 -0.875 6.7 174.6-120.6 151.8 10.5 61.4 19.5 95 114 A T E -G 169 0B 10 -2,-0.3 2,-0.3 74,-0.3 74,-0.3 -0.974 9.4-171.7-148.5 150.3 10.1 65.2 19.2 96 115 A G E -G 168 0B 10 72,-1.9 72,-1.5 -2,-0.3 2,-0.5 -0.997 17.1-147.8-152.7 146.1 7.1 67.4 19.8 97 116 A N E -Gh 167 121B 6 23,-0.5 25,-2.6 -2,-0.3 2,-0.4 -0.945 20.6-172.5-113.8 130.9 5.9 70.9 19.4 98 117 A G E -Gh 166 122B 0 68,-3.1 68,-3.0 -2,-0.5 2,-0.5 -0.976 11.9-154.4-129.2 138.6 3.5 72.5 21.9 99 118 A L E -Gh 165 123B 2 23,-1.3 25,-2.0 -2,-0.4 2,-0.5 -0.922 5.2-169.9-110.9 130.5 1.5 75.7 22.0 100 119 A F E +Gh 164 124B 3 64,-2.3 64,-2.7 -2,-0.5 2,-0.3 -0.939 14.8 176.5-122.0 105.6 0.5 77.4 25.2 101 120 A L E -Gh 163 125B 17 23,-2.6 25,-3.0 -2,-0.5 62,-0.2 -0.725 31.3-110.3-106.5 156.5 -2.0 80.3 24.7 102 121 A S E - h 0 126B 28 60,-1.6 25,-0.2 -2,-0.3 60,-0.1 -0.531 32.5-112.6 -83.5 156.1 -3.7 82.4 27.2 103 122 A E S S+ 0 0 125 23,-1.0 -1,-0.1 1,-0.2 24,-0.1 0.894 112.0 44.2 -55.9 -51.2 -7.5 82.0 27.6 104 123 A G S S+ 0 0 68 2,-0.1 -1,-0.2 -3,-0.0 -3,-0.0 0.927 89.1 119.6 -61.8 -40.7 -8.7 85.4 26.3 105 124 A L - 0 0 23 57,-0.1 2,-0.6 1,-0.1 -4,-0.1 0.166 48.1-161.1 -33.5 121.0 -6.3 85.2 23.4 106 125 A K - 0 0 117 2,-0.0 199,-0.4 0, 0.0 198,-0.4 -0.929 17.3-154.4-105.2 124.3 -7.7 85.3 19.9 107 126 A L - 0 0 23 -2,-0.6 2,-1.2 196,-0.1 196,-0.2 -0.567 29.6 -96.7 -97.8 164.8 -5.1 84.0 17.4 108 127 A V >> - 0 0 44 194,-1.1 4,-1.0 -2,-0.2 3,-0.5 -0.722 40.8-138.4 -79.8 101.5 -4.7 84.7 13.8 109 128 A D H 3> S+ 0 0 133 -2,-1.2 4,-1.5 1,-0.2 3,-0.4 0.763 96.9 57.5 -28.1 -53.7 -6.6 81.6 12.6 110 129 A K H >> S+ 0 0 134 1,-0.2 4,-2.5 2,-0.2 3,-0.9 0.956 99.3 58.2 -45.1 -67.0 -4.1 80.9 9.7 111 130 A F H <> S+ 0 0 6 -3,-0.5 4,-2.1 190,-0.3 5,-0.3 0.796 104.8 52.8 -29.3 -54.3 -1.1 80.7 12.1 112 131 A L H 3X S+ 0 0 38 -4,-1.0 4,-2.2 -3,-0.4 -1,-0.3 0.904 111.4 41.7 -55.9 -52.4 -2.8 77.9 14.0 113 132 A E H - 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