==== 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 PROTEASE INHIBITOR 22-APR-08 3CWM . COMPND 2 MOLECULE: ALPHA-1-ANTITRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.J.MORTON,G.HANSEN,S.C.FEIL,J.J.ADAMS,M.W.PARKER . 370 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17180.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 264 71.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 73 19.7 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 . 2 0.5 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 . 43 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 23.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 0 2 0 1 1 2 0 0 0 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 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 PARALLEL BRIDGES PER LADDER . 1 0 1 0 1 2 1 3 1 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 1 1 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 24 A N > 0 0 74 0, 0.0 3,-2.1 0, 0.0 71,-0.1 0.000 360.0 360.0 360.0 150.4 -11.5 20.3 85.2 2 25 A K T 3 + 0 0 138 1,-0.3 4,-0.2 2,-0.1 67,-0.1 0.530 360.0 51.3 -66.7 -12.2 -10.0 22.3 88.1 3 26 A I T 3> S+ 0 0 0 1,-0.1 4,-2.5 2,-0.1 -1,-0.3 0.457 82.1 96.9 -98.7 -3.0 -6.5 20.7 88.0 4 27 A T H <> S+ 0 0 6 -3,-2.1 4,-2.6 1,-0.2 5,-0.2 0.872 79.2 53.5 -54.7 -47.0 -6.1 21.4 84.2 5 28 A P H > S+ 0 0 71 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.935 111.7 45.8 -54.7 -48.0 -4.1 24.7 84.7 6 29 A N H > S+ 0 0 35 -4,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.904 111.1 52.7 -60.6 -45.4 -1.6 22.9 86.9 7 30 A L H X S+ 0 0 2 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.912 110.6 48.4 -54.1 -45.1 -1.4 20.0 84.5 8 31 A A H X S+ 0 0 2 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.895 110.2 50.1 -64.4 -41.4 -0.6 22.5 81.7 9 32 A E H X S+ 0 0 85 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.869 111.4 50.3 -64.1 -35.1 2.1 24.3 83.8 10 33 A F H X S+ 0 0 1 -4,-2.3 4,-2.7 47,-0.3 5,-0.3 0.899 106.0 55.2 -67.6 -43.8 3.6 20.9 84.4 11 34 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.922 113.5 41.2 -53.0 -49.0 3.6 20.0 80.7 12 35 A F H X S+ 0 0 4 -4,-2.0 4,-3.7 2,-0.2 5,-0.3 0.914 112.2 53.9 -68.9 -47.0 5.5 23.2 80.0 13 36 A S H X S+ 0 0 38 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.917 114.7 41.8 -52.3 -47.1 7.9 22.8 82.9 14 37 A L H X S+ 0 0 3 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.905 116.2 48.9 -68.3 -42.2 8.8 19.3 81.8 15 38 A Y H X S+ 0 0 2 -4,-2.4 4,-3.2 -5,-0.3 5,-0.2 0.930 110.9 48.9 -64.4 -48.2 9.0 20.3 78.1 16 39 A R H X S+ 0 0 85 -4,-3.7 4,-0.6 2,-0.2 -1,-0.2 0.856 111.2 52.1 -58.8 -38.8 11.2 23.3 78.8 17 40 A Q H >X S+ 0 0 37 -4,-1.7 4,-2.3 -5,-0.3 3,-0.8 0.958 113.9 42.3 -58.3 -54.9 13.4 21.1 80.9 18 41 A L H 3X S+ 0 0 6 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.866 112.0 53.7 -60.6 -40.1 13.7 18.5 78.1 19 42 A A H 3< S+ 0 0 6 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.605 110.8 49.0 -72.6 -11.9 14.1 21.2 75.4 20 43 A H H << S+ 0 0 149 -3,-0.8 -2,-0.2 -4,-0.6 -1,-0.2 0.851 107.8 53.3 -88.5 -45.2 17.0 22.5 77.6 21 44 A Q H < S+ 0 0 99 -4,-2.3 2,-0.4 1,-0.2 -2,-0.2 0.962 127.8 4.4 -53.9 -62.2 18.6 19.1 77.9 22 45 A S < + 0 0 40 -4,-2.1 -1,-0.2 3,-0.1 3,-0.0 -0.995 48.4 178.8-131.2 138.9 18.8 18.4 74.2 23 46 A N S S+ 0 0 98 -2,-0.4 -1,-0.1 -3,-0.2 -4,-0.1 0.300 85.1 60.1-110.5 3.4 17.9 20.6 71.2 24 47 A S S S+ 0 0 95 2,-0.1 2,-0.4 343,-0.0 -1,-0.1 0.364 92.4 76.2-112.4 1.5 18.9 17.9 68.6 25 48 A T S S- 0 0 57 341,-0.1 -3,-0.1 340,-0.0 339,-0.0 -0.915 83.7-105.6-119.1 142.3 16.5 15.1 69.6 26 49 A N - 0 0 15 -2,-0.4 2,-0.4 341,-0.2 339,-0.2 -0.291 35.5-148.4 -51.3 141.2 12.8 14.5 69.1 27 50 A I E +A 364 0A 3 337,-2.4 337,-2.1 245,-0.1 2,-0.3 -0.984 26.4 157.6-120.5 131.3 10.7 15.0 72.3 28 51 A F E +A 363 0A 1 -2,-0.4 285,-0.3 335,-0.2 2,-0.3 -0.864 11.6 139.1-154.9 121.8 7.5 13.1 73.2 29 52 A F E -A 362 0A 1 333,-2.2 333,-2.1 -2,-0.3 244,-0.0 -0.979 46.5-112.6-153.3 161.1 5.9 12.5 76.6 30 53 A S > - 0 0 0 -2,-0.3 4,-1.7 331,-0.2 5,-0.2 -0.892 17.4-174.0-100.7 112.3 2.6 12.4 78.5 31 54 A P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 5,-0.3 0.946 93.2 46.9 -61.8 -45.5 2.1 15.2 81.0 32 55 A V H > S+ 0 0 5 327,-1.2 4,-2.9 1,-0.2 5,-0.3 0.937 110.8 51.5 -57.8 -50.8 -1.1 13.5 82.2 33 56 A S H > S+ 0 0 4 327,-0.4 4,-1.1 1,-0.2 -1,-0.2 0.819 115.4 40.5 -59.1 -40.7 0.5 10.0 82.3 34 57 A I H X S+ 0 0 2 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.893 117.0 46.9 -76.3 -44.8 3.4 11.1 84.5 35 58 A A H X S+ 0 0 1 -4,-2.3 4,-3.0 -5,-0.2 5,-0.3 0.972 111.9 51.6 -62.8 -52.5 1.5 13.5 86.8 36 59 A T H X S+ 0 0 10 -4,-2.9 4,-1.9 -5,-0.3 -1,-0.2 0.865 110.4 49.4 -48.6 -44.3 -1.2 10.9 87.3 37 60 A A H X S+ 0 0 0 -4,-1.1 4,-2.3 -5,-0.3 -1,-0.2 0.891 114.7 42.7 -67.8 -39.9 1.4 8.3 88.3 38 61 A F H X S+ 0 0 0 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.769 110.1 56.9 -82.5 -23.6 3.1 10.5 90.8 39 62 A A H < S+ 0 0 0 -4,-3.0 4,-0.5 -5,-0.2 -1,-0.2 0.918 110.4 46.0 -60.0 -46.7 -0.2 11.8 92.1 40 63 A M H >< S+ 0 0 0 -4,-1.9 3,-1.8 -5,-0.3 4,-0.4 0.939 110.6 51.1 -66.8 -48.4 -1.0 8.1 92.8 41 64 A L H >< S+ 0 0 0 -4,-2.3 3,-1.9 1,-0.3 -1,-0.2 0.841 99.3 67.7 -53.4 -37.1 2.5 7.4 94.4 42 65 A S G >< S+ 0 0 0 -4,-1.6 3,-1.4 1,-0.3 -1,-0.3 0.698 84.1 71.5 -61.1 -20.9 1.9 10.5 96.6 43 66 A L G < S+ 0 0 49 -3,-1.8 -1,-0.3 -4,-0.5 -2,-0.2 0.775 99.1 48.7 -64.5 -25.5 -0.9 8.5 98.4 44 67 A G G < S+ 0 0 0 -3,-1.9 253,-1.3 -4,-0.4 254,-0.9 0.198 104.5 76.9 -98.2 15.0 1.8 6.4 100.0 45 68 A T < - 0 0 7 -3,-1.4 2,-0.3 252,-0.2 250,-0.2 -0.723 59.7-156.0-119.5 169.2 3.9 9.3 101.1 46 69 A K >> - 0 0 111 248,-1.0 4,-1.3 -2,-0.2 3,-0.9 -0.963 47.5 -20.4-142.2 160.3 3.8 11.9 103.9 47 70 A A H 3> S+ 0 0 64 -2,-0.3 4,-3.2 1,-0.2 5,-0.3 -0.065 125.3 3.1 51.3-129.1 5.1 15.4 104.8 48 71 A D H 3> S+ 0 0 109 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.900 134.6 52.9 -56.1 -45.2 8.1 16.7 102.8 49 72 A T H <> S+ 0 0 1 -3,-0.9 4,-1.1 1,-0.2 239,-0.3 0.941 115.2 41.8 -54.3 -51.3 8.2 13.6 100.6 50 73 A H H X S+ 0 0 15 -4,-1.3 4,-1.6 1,-0.2 3,-0.5 0.937 115.8 46.7 -59.7 -55.3 4.5 14.1 99.8 51 74 A D H X S+ 0 0 59 -4,-3.2 4,-2.4 1,-0.2 5,-0.3 0.852 105.7 60.4 -63.1 -34.8 4.5 17.9 99.4 52 75 A E H X S+ 0 0 57 -4,-2.7 4,-1.9 -5,-0.3 -1,-0.2 0.876 105.1 49.0 -61.0 -39.1 7.6 17.8 97.2 53 76 A I H X S+ 0 0 0 -4,-1.1 4,-0.9 -3,-0.5 -1,-0.2 0.939 113.5 43.6 -66.1 -49.8 5.8 15.6 94.6 54 77 A L H <>S+ 0 0 0 -4,-1.6 5,-1.7 1,-0.2 -2,-0.2 0.836 115.5 48.7 -70.8 -32.5 2.6 17.7 94.3 55 78 A E H ><5S+ 0 0 87 -4,-2.4 3,-1.6 3,-0.2 -1,-0.2 0.855 108.4 55.3 -69.1 -36.4 4.6 20.9 94.2 56 79 A G H 3<5S+ 0 0 5 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.666 102.7 56.3 -68.9 -18.3 6.8 19.3 91.6 57 80 A L T 3<5S- 0 0 1 -4,-0.9 -47,-0.3 2,-0.1 -1,-0.3 0.136 129.4-101.1 -95.9 16.5 3.5 18.7 89.6 58 81 A N T < 5S+ 0 0 47 -3,-1.6 2,-0.5 1,-0.2 -3,-0.2 0.853 75.5 141.8 68.9 40.0 3.0 22.5 89.8 59 82 A F < - 0 0 3 -5,-1.7 2,-0.8 -6,-0.1 -1,-0.2 -0.948 46.0-143.1-109.2 133.9 0.5 22.5 92.7 60 83 A N >> - 0 0 61 -2,-0.5 4,-2.5 1,-0.1 3,-2.2 -0.845 10.2-162.7 -93.8 105.7 0.6 25.3 95.3 61 84 A L T 34 S+ 0 0 37 -2,-0.8 -1,-0.1 1,-0.3 5,-0.1 0.504 86.7 61.7 -73.7 -3.0 -0.4 23.5 98.5 62 85 A T T 34 S+ 0 0 122 3,-0.1 -1,-0.3 1,-0.0 -2,-0.0 0.439 116.4 31.7 -95.4 -2.6 -1.2 26.8 100.3 63 86 A E T <4 S+ 0 0 160 -3,-2.2 -2,-0.2 1,-0.3 -1,-0.0 0.701 116.6 49.3-117.4 -42.3 -3.9 27.5 97.7 64 87 A I S < S- 0 0 22 -4,-2.5 -1,-0.3 3,-0.0 2,-0.1 -0.912 75.3-134.3-110.0 122.7 -5.3 24.1 96.6 65 88 A P > - 0 0 78 0, 0.0 4,-1.5 0, 0.0 3,-0.4 -0.358 24.5-116.4 -68.0 154.0 -6.4 21.4 99.1 66 89 A E H > S+ 0 0 91 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.782 109.7 63.5 -68.1 -30.1 -5.3 17.8 98.5 67 90 A A H > S+ 0 0 59 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.913 102.9 49.0 -57.0 -48.4 -8.9 16.5 98.0 68 91 A Q H > S+ 0 0 70 -3,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.954 108.7 54.6 -56.6 -52.1 -9.4 18.7 94.9 69 92 A I H X S+ 0 0 0 -4,-1.5 4,-1.9 1,-0.2 -2,-0.2 0.925 114.5 38.6 -45.4 -57.2 -6.1 17.5 93.5 70 93 A H H X S+ 0 0 22 -4,-2.3 4,-3.1 1,-0.2 -1,-0.2 0.899 114.3 52.1 -68.4 -41.4 -7.0 13.8 93.8 71 94 A E H X S+ 0 0 103 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.804 108.4 56.4 -63.5 -28.0 -10.7 14.3 92.7 72 95 A G H X S+ 0 0 2 -4,-2.5 4,-1.9 -5,-0.3 -2,-0.2 0.935 109.7 41.4 -65.2 -51.2 -9.2 16.1 89.7 73 96 A F H X S+ 0 0 0 -4,-1.9 4,-2.9 2,-0.2 5,-0.2 0.911 113.7 55.9 -64.1 -42.1 -7.1 13.2 88.7 74 97 A Q H X S+ 0 0 24 -4,-3.1 4,-2.3 2,-0.2 -2,-0.2 0.962 108.7 45.7 -46.7 -63.1 -10.0 10.9 89.5 75 98 A E H X S+ 0 0 96 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.845 114.9 48.6 -50.7 -42.4 -12.4 12.8 87.1 76 99 A L H X S+ 0 0 0 -4,-1.9 4,-1.0 2,-0.2 -1,-0.2 0.859 111.4 48.4 -69.9 -39.0 -9.7 12.8 84.4 77 100 A L H X S+ 0 0 13 -4,-2.9 4,-1.9 2,-0.2 -2,-0.2 0.792 108.8 55.9 -70.8 -29.8 -9.0 9.1 84.8 78 101 A R H < S+ 0 0 130 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.926 110.0 43.6 -65.1 -46.2 -12.7 8.4 84.6 79 102 A T H < S+ 0 0 31 -4,-1.8 3,-0.4 1,-0.2 -2,-0.2 0.649 115.1 49.9 -77.6 -15.8 -13.0 10.2 81.2 80 103 A L H < S+ 0 0 16 -4,-1.0 2,-0.4 1,-0.2 -1,-0.2 0.864 108.9 49.7 -86.6 -41.2 -9.9 8.6 79.8 81 104 A N S < S+ 0 0 74 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.1 -0.296 75.0 144.3 -98.4 47.1 -10.7 5.0 80.6 82 105 A Q > - 0 0 105 -2,-0.4 3,-0.8 -3,-0.4 -3,-0.1 -0.626 52.3-133.3 -77.5 142.8 -14.2 4.9 79.2 83 106 A P T 3 S+ 0 0 124 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.928 104.5 50.1 -60.6 -46.0 -15.2 1.5 77.7 84 107 A D T 3 S+ 0 0 160 2,-0.0 2,-0.7 -3,-0.0 139,-0.1 -0.212 79.5 136.9 -91.2 44.5 -16.7 3.1 74.6 85 108 A S < - 0 0 41 -3,-0.8 4,-0.2 -2,-0.7 137,-0.0 -0.835 41.1-164.9 -98.7 110.8 -13.7 5.3 73.9 86 109 A Q + 0 0 108 -2,-0.7 2,-0.5 2,-0.1 84,-0.2 0.522 59.3 115.1 -65.4 -6.3 -12.7 5.5 70.2 87 110 A L S S- 0 0 17 1,-0.1 2,-2.6 -7,-0.1 136,-0.1 -0.567 70.7-136.2 -74.4 119.1 -9.4 7.0 71.5 88 111 A Q + 0 0 64 -2,-0.5 80,-1.0 134,-0.3 2,-0.6 -0.404 50.7 148.3 -76.2 69.5 -6.5 4.6 70.7 89 112 A L E +G 167 0B 32 -2,-2.6 2,-0.7 -4,-0.2 78,-0.2 -0.911 26.8 178.8-119.7 112.4 -5.0 5.0 74.1 90 113 A T E +G 166 0B 28 76,-2.2 76,-1.4 -2,-0.6 2,-0.3 -0.856 20.6 166.5-112.4 93.1 -3.0 2.2 75.8 91 114 A T E +G 165 0B 48 -2,-0.7 2,-0.3 74,-0.2 74,-0.2 -0.852 5.2 169.7-113.8 145.0 -1.8 3.6 79.1 92 115 A G E -G 164 0B 8 72,-2.3 72,-2.3 -2,-0.3 2,-0.4 -0.997 23.6-153.9-158.4 148.7 -0.4 1.8 82.1 93 116 A N E -G 163 0B 10 -2,-0.3 25,-2.2 23,-0.3 2,-0.5 -0.981 12.0-166.4-126.7 120.0 1.4 2.0 85.5 94 117 A G E -Gh 162 118B 0 68,-3.2 68,-2.8 -2,-0.4 2,-0.5 -0.921 2.0-170.2-108.8 122.3 3.5 -0.7 87.0 95 118 A L E -Gh 161 119B 0 23,-2.5 25,-3.6 -2,-0.5 2,-0.5 -0.960 8.1-172.7-107.0 125.7 4.6 -0.6 90.6 96 119 A F E +Gh 160 120B 1 64,-2.8 64,-2.8 -2,-0.5 2,-0.4 -0.952 5.2 178.5-127.3 110.4 7.2 -3.2 91.4 97 120 A L E -Gh 159 121B 0 23,-2.7 25,-1.9 -2,-0.5 62,-0.2 -0.898 36.7-100.1-116.9 143.4 8.2 -3.7 95.0 98 121 A S E > - h 0 122B 30 60,-3.0 3,-1.1 -2,-0.4 2,-0.2 -0.328 42.3-117.0 -58.1 131.0 10.7 -6.2 96.6 99 122 A E T 3 S+ 0 0 106 23,-1.8 25,-0.1 1,-0.2 3,-0.1 -0.535 97.5 59.2 -72.2 139.6 8.9 -9.1 98.0 100 123 A G T 3 S+ 0 0 85 1,-0.5 2,-0.5 -2,-0.2 -1,-0.2 0.110 77.2 113.7 120.4 -17.9 9.4 -9.4 101.8 101 124 A L < - 0 0 38 -3,-1.1 2,-0.9 -4,-0.0 -1,-0.5 -0.747 69.9-129.6 -84.5 128.8 7.9 -6.0 102.5 102 125 A K - 0 0 148 -2,-0.5 198,-0.5 -3,-0.1 2,-0.3 -0.728 33.7-151.0 -75.1 108.5 4.7 -5.9 104.5 103 126 A L - 0 0 20 -2,-0.9 2,-0.2 196,-0.1 196,-0.2 -0.677 15.5-111.1 -90.8 137.5 2.6 -3.7 102.2 104 127 A V > - 0 0 24 194,-2.7 4,-1.6 -2,-0.3 3,-0.2 -0.476 20.2-145.2 -63.8 125.9 -0.3 -1.4 103.4 105 128 A D H > S+ 0 0 115 -2,-0.2 4,-2.4 1,-0.2 -1,-0.1 0.882 97.0 55.9 -60.0 -40.4 -3.6 -2.8 102.1 106 129 A K H > S+ 0 0 123 1,-0.2 4,-3.2 2,-0.2 -1,-0.2 0.838 105.1 51.1 -66.6 -35.3 -5.0 0.7 101.7 107 130 A F H > S+ 0 0 7 190,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.897 113.4 44.6 -67.6 -40.5 -2.2 1.8 99.5 108 131 A L H X S+ 0 0 27 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.835 116.5 48.3 -68.8 -33.4 -2.7 -1.2 97.2 109 132 A E H X S+ 0 0 122 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.897 112.5 46.7 -72.6 -44.0 -6.4 -0.6 97.4 110 133 A D H < S+ 0 0 23 -4,-3.2 5,-0.5 2,-0.2 -2,-0.2 0.880 113.4 50.6 -63.4 -40.9 -6.1 3.1 96.6 111 134 A V H >X S+ 0 0 0 -4,-2.2 4,-1.4 -5,-0.2 6,-1.2 0.969 119.4 34.4 -60.3 -55.8 -3.7 2.3 93.7 112 135 A K H 3X S+ 0 0 109 -4,-2.1 4,-1.5 4,-0.2 2,-0.4 0.988 125.1 35.9 -67.1 -63.5 -6.0 -0.3 92.1 113 136 A K H 3< S+ 0 0 177 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.1 -0.132 128.7 32.1 -94.4 40.0 -9.5 1.0 92.8 114 137 A L H <4 S+ 0 0 60 -3,-0.6 -1,-0.2 -2,-0.4 -3,-0.2 0.295 132.5 24.0-152.3 -25.1 -8.8 4.7 92.4 115 138 A Y H < S- 0 0 4 -4,-1.4 -3,-0.2 -5,-0.5 -2,-0.2 0.308 92.4-127.4-129.2 4.4 -6.0 4.9 89.8 116 139 A H < + 0 0 96 -4,-1.5 -23,-0.3 1,-0.2 2,-0.3 0.839 58.3 145.7 50.1 45.2 -6.4 1.6 87.9 117 140 A S - 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