==== 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 INHIBITOR 20-FEB-05 1YXA . COMPND 2 MOLECULE: SERINE (OR CYSTEINE) PROTEINASE INHIBITOR, CLADE . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR A.J.HORVATH,J.A.IRVING,R.H.LAW,J.ROSSJOHN,S.P.BOTTOMLEY,N.S. . 740 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32826.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 528 71.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 146 19.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 75 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 182 24.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.2 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 3 0 3 0 0 0 4 2 2 0 1 3 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 0 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 PARALLEL BRIDGES PER LADDER . 5 0 2 2 4 2 2 2 0 4 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 2 0 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 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 47 A L > 0 0 87 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -44.2 64.4 26.6 42.0 2 48 A A H > + 0 0 25 2,-0.2 4,-2.1 1,-0.2 360,-0.2 0.914 360.0 45.8 -59.8 -43.8 63.5 27.9 45.5 3 49 A S H > S+ 0 0 78 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.869 112.4 49.7 -69.8 -42.3 67.1 28.5 46.1 4 50 A I H > S+ 0 0 47 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.955 114.4 45.4 -57.9 -52.1 67.7 30.2 42.7 5 51 A N H X S+ 0 0 2 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.829 111.8 51.7 -65.0 -33.6 64.7 32.4 43.3 6 52 A T H X S+ 0 0 9 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.862 108.2 52.0 -69.0 -37.6 65.8 33.2 46.8 7 53 A D H X S+ 0 0 53 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.921 111.5 46.6 -65.6 -44.4 69.2 34.2 45.5 8 54 A F H X S+ 0 0 0 -4,-2.3 4,-2.9 47,-0.3 5,-0.3 0.928 109.6 56.6 -56.8 -46.1 67.5 36.5 43.0 9 55 A A H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.924 110.5 41.4 -54.0 -49.9 65.3 37.9 45.8 10 56 A F H X S+ 0 0 1 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.811 113.4 53.5 -73.1 -32.3 68.2 39.0 48.0 11 57 A S H X S+ 0 0 26 -4,-1.8 4,-1.6 -5,-0.2 -1,-0.2 0.941 113.7 42.8 -61.1 -51.2 70.2 40.3 45.1 12 58 A L H X S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.913 110.4 57.3 -62.1 -45.8 67.2 42.4 44.0 13 59 A Y H X S+ 0 0 2 -4,-2.8 4,-2.5 -5,-0.3 5,-0.2 0.924 107.0 47.9 -49.7 -52.9 66.5 43.5 47.6 14 60 A K H X S+ 0 0 51 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.867 111.7 49.4 -59.7 -41.3 70.0 44.9 48.1 15 61 A E H X S+ 0 0 40 -4,-1.6 4,-1.4 2,-0.2 -1,-0.2 0.870 111.6 50.0 -66.8 -36.1 69.8 46.8 44.8 16 62 A L H X S+ 0 0 4 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.890 110.2 48.8 -69.4 -41.4 66.4 48.2 45.8 17 63 A V H < S+ 0 0 23 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.871 108.0 55.0 -63.1 -41.4 67.7 49.4 49.3 18 64 A L H < S+ 0 0 125 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.864 113.0 43.4 -60.3 -37.0 70.7 51.0 47.6 19 65 A K H < S+ 0 0 93 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.911 127.5 27.9 -72.1 -44.1 68.3 53.0 45.4 20 66 A N S >< S- 0 0 63 -4,-2.5 3,-0.9 -5,-0.1 -1,-0.2 -0.687 79.4-167.6-124.4 75.2 65.8 53.8 48.2 21 67 A P T 3 S+ 0 0 77 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.260 71.0 9.1 -62.9 150.7 67.5 54.0 51.7 22 68 A D T 3 S+ 0 0 134 1,-0.2 2,-0.3 -5,-0.0 -5,-0.0 0.779 103.5 116.3 49.6 38.5 65.3 54.1 54.8 23 69 A T S < S- 0 0 69 -3,-0.9 -1,-0.2 -6,-0.1 -3,-0.1 -0.941 74.2 -91.5-130.3 154.5 62.1 53.4 53.0 24 70 A N - 0 0 34 -2,-0.3 2,-0.4 346,-0.2 344,-0.2 -0.317 41.4-162.3 -55.2 142.4 59.5 50.5 52.9 25 71 A I E +A 367 0A 0 342,-2.0 342,-2.3 247,-0.1 2,-0.3 -0.997 16.7 165.4-131.7 133.4 60.3 47.9 50.4 26 72 A V E +A 366 0A 0 -2,-0.4 2,-0.3 340,-0.2 287,-0.3 -0.914 13.5 139.5-146.6 122.6 57.8 45.3 49.1 27 73 A F E -A 365 0A 0 338,-2.1 338,-2.2 -2,-0.3 3,-0.1 -0.973 44.9-120.4-154.0 167.2 58.3 43.2 46.0 28 74 A S > - 0 0 0 -2,-0.3 4,-1.9 336,-0.2 5,-0.2 -0.962 12.7-171.3-111.1 115.0 57.7 39.7 44.7 29 75 A P H > S+ 0 0 0 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.789 92.1 53.1 -70.4 -27.2 60.8 37.8 43.6 30 76 A L H > S+ 0 0 3 332,-0.8 4,-2.3 2,-0.2 5,-0.2 0.968 112.7 39.1 -67.2 -57.0 58.5 35.2 42.3 31 77 A S H > S+ 0 0 0 332,-0.3 4,-2.0 2,-0.2 5,-0.1 0.856 116.1 51.5 -69.9 -34.2 56.2 37.4 40.2 32 78 A I H X S+ 0 0 2 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.946 111.4 47.8 -66.6 -46.6 59.1 39.6 38.9 33 79 A S H X S+ 0 0 1 -4,-1.6 4,-2.5 1,-0.2 -2,-0.2 0.892 111.5 51.0 -58.2 -42.3 61.0 36.5 37.8 34 80 A A H X S+ 0 0 1 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.856 109.4 50.2 -64.4 -36.8 57.9 35.1 36.1 35 81 A A H X S+ 0 0 2 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.907 112.5 46.0 -70.4 -41.0 57.4 38.4 34.2 36 82 A L H X S+ 0 0 7 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.878 110.5 53.3 -69.0 -37.1 61.0 38.5 33.0 37 83 A A H X S+ 0 0 0 -4,-2.5 4,-1.0 2,-0.2 -1,-0.2 0.856 104.3 57.1 -63.1 -37.0 60.8 34.8 32.0 38 84 A L H < S+ 0 0 2 -4,-1.8 3,-0.4 2,-0.2 4,-0.4 0.901 108.3 46.3 -58.0 -42.4 57.7 35.7 30.0 39 85 A V H >< S+ 0 0 2 -4,-1.5 3,-1.9 1,-0.2 -2,-0.2 0.914 105.1 60.5 -66.5 -39.8 59.9 38.2 28.1 40 86 A S H >< S+ 0 0 0 -4,-2.2 3,-1.0 1,-0.3 -1,-0.2 0.712 90.2 71.0 -60.7 -23.6 62.6 35.6 27.6 41 87 A L T 3< S+ 0 0 14 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.793 105.4 39.2 -58.9 -31.7 60.1 33.5 25.7 42 88 A G T < S+ 0 0 0 -3,-1.9 255,-1.6 -4,-0.4 256,-0.7 0.306 104.1 93.6-100.0 7.3 60.4 36.1 22.9 43 89 A A < - 0 0 5 -3,-1.0 2,-0.3 -4,-0.2 252,-0.2 -0.594 49.9-173.1-101.1 161.4 64.1 36.6 23.3 44 90 A K >> - 0 0 99 250,-1.5 3,-1.3 -2,-0.2 4,-1.1 -0.925 47.6 -1.1-142.6 165.2 67.1 35.0 21.5 45 91 A G H 3> S- 0 0 51 -2,-0.3 4,-2.4 1,-0.3 3,-0.2 -0.134 125.9 -9.9 59.4-140.8 70.9 35.0 21.7 46 92 A N H 3> S+ 0 0 72 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.701 134.1 61.6 -67.4 -19.7 72.6 37.1 24.3 47 93 A T H <> S+ 0 0 1 -3,-1.3 4,-1.3 2,-0.2 241,-0.3 0.953 110.8 38.4 -68.3 -49.5 69.3 38.8 25.1 48 94 A L H >X S+ 0 0 25 -4,-1.1 4,-1.9 2,-0.2 3,-0.7 0.974 115.6 52.5 -61.0 -57.7 67.7 35.5 26.2 49 95 A E H 3X S+ 0 0 90 -4,-2.4 4,-2.0 1,-0.3 5,-0.2 0.839 108.4 51.2 -49.9 -43.0 70.9 34.2 27.9 50 96 A E H 3X S+ 0 0 38 -4,-1.8 4,-2.0 2,-0.2 -1,-0.3 0.842 108.3 51.3 -67.3 -36.6 71.3 37.4 30.0 51 97 A I H S+ 0 0 2 -4,-1.9 5,-2.0 1,-0.2 -2,-0.2 0.862 117.5 45.3 -60.5 -40.3 67.9 33.7 32.5 53 99 A E H ><5S+ 0 0 92 -4,-2.0 3,-1.6 -5,-0.3 -1,-0.2 0.832 108.3 56.0 -72.1 -35.8 71.3 34.1 34.1 54 100 A G H 3<5S+ 0 0 6 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.801 101.4 59.1 -64.4 -28.2 70.2 37.4 35.7 55 101 A L T 3<5S- 0 0 1 -4,-1.6 -47,-0.3 -5,-0.1 -1,-0.3 0.409 126.6-108.4 -75.9 -0.6 67.4 35.4 37.3 56 102 A K T < 5S+ 0 0 61 -3,-1.6 2,-0.2 1,-0.3 -3,-0.2 0.552 71.6 142.4 80.0 16.7 70.3 33.3 38.8 57 103 A F < - 0 0 16 -5,-2.0 2,-0.7 -52,-0.0 -1,-0.3 -0.581 48.1-138.5 -78.7 147.0 69.8 30.2 36.6 58 104 A N >> - 0 0 86 -2,-0.2 4,-1.6 1,-0.1 3,-1.2 -0.949 11.6-161.1-103.0 110.9 72.8 28.2 35.4 59 105 A L T 34 S+ 0 0 51 -2,-0.7 5,-0.1 1,-0.3 -1,-0.1 0.606 86.9 62.6 -74.7 -13.0 72.0 27.3 31.8 60 106 A T T 34 S+ 0 0 138 1,-0.1 -1,-0.3 3,-0.1 3,-0.1 0.727 116.9 32.3 -76.0 -22.7 74.6 24.5 31.7 61 107 A E T <4 S+ 0 0 83 -3,-1.2 2,-0.4 1,-0.2 -2,-0.2 0.607 121.3 49.8-105.9 -18.8 72.5 22.8 34.4 62 108 A T S < S- 0 0 45 -4,-1.6 2,-0.2 4,-0.0 -1,-0.2 -0.983 73.0-132.4-131.7 134.2 69.0 24.0 33.5 63 109 A S > - 0 0 71 -2,-0.4 4,-1.7 1,-0.1 3,-0.1 -0.543 18.6-128.6 -79.9 145.1 67.0 24.0 30.3 64 110 A E H > S+ 0 0 77 1,-0.2 4,-1.5 -2,-0.2 5,-0.1 0.853 113.2 55.3 -55.9 -37.7 65.1 27.0 29.0 65 111 A A H > S+ 0 0 76 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.886 105.2 50.7 -64.6 -41.8 62.1 24.7 28.6 66 112 A D H > S+ 0 0 45 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.841 105.1 58.3 -64.2 -34.6 62.4 23.6 32.3 67 113 A I H X S+ 0 0 4 -4,-1.7 4,-2.0 1,-0.2 5,-0.3 0.922 109.3 43.1 -62.1 -44.8 62.5 27.2 33.4 68 114 A H H X S+ 0 0 7 -4,-1.5 4,-1.3 1,-0.2 -1,-0.2 0.810 114.8 49.1 -71.2 -32.3 59.1 28.0 31.7 69 115 A Q H X S+ 0 0 56 -4,-1.7 4,-2.6 3,-0.2 5,-0.2 0.789 109.9 56.2 -72.5 -26.4 57.5 24.7 33.0 70 116 A G H X S+ 0 0 23 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.980 116.1 30.8 -72.0 -61.0 58.8 25.6 36.4 71 117 A F H X S+ 0 0 3 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.779 118.5 63.1 -62.0 -30.6 57.2 29.1 36.8 72 118 A G H X S+ 0 0 10 -4,-1.3 4,-1.8 -5,-0.3 -2,-0.2 0.954 105.9 39.1 -63.6 -55.6 54.4 27.6 34.6 73 119 A H H X S+ 0 0 68 -4,-2.6 4,-1.0 2,-0.2 -1,-0.2 0.908 116.8 53.0 -59.1 -44.0 53.2 24.9 37.0 74 120 A L H >X S+ 0 0 9 -4,-1.7 4,-1.7 -5,-0.2 3,-0.6 0.928 111.4 43.4 -60.6 -49.0 53.8 27.2 40.0 75 121 A L H 3X S+ 0 0 12 -4,-2.6 4,-1.2 1,-0.2 -1,-0.2 0.814 108.9 57.2 -69.6 -33.0 51.7 30.1 38.7 76 122 A Q H 3< S+ 0 0 55 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.753 114.4 42.0 -64.9 -23.6 48.9 27.8 37.5 77 123 A R H << S+ 0 0 75 -4,-1.0 -2,-0.2 -3,-0.6 -1,-0.2 0.781 109.2 55.8 -91.6 -31.7 48.7 26.5 41.1 78 124 A L H < S+ 0 0 11 -4,-1.7 9,-1.3 1,-0.2 4,-0.2 0.894 99.3 52.1 -81.3 -44.4 49.0 29.8 43.1 79 125 A N S < S+ 0 0 49 -4,-1.2 -1,-0.2 7,-0.2 -2,-0.1 0.688 92.0 94.0 -66.6 -19.3 46.2 32.1 41.8 80 126 A Q S S- 0 0 132 -5,-0.2 7,-0.2 -3,-0.2 2,-0.2 -0.657 88.8-115.5 -73.2 121.8 43.8 29.2 42.5 81 127 A P + 0 0 92 0, 0.0 2,-0.3 0, 0.0 5,-0.2 -0.419 44.9 166.8 -63.8 127.2 42.2 29.5 46.0 82 128 A K B > -I 85 0B 73 3,-1.5 3,-1.2 -2,-0.2 141,-0.4 -0.945 63.9 -14.1-148.7 122.3 43.3 26.6 48.2 83 129 A D T 3 S- 0 0 108 -2,-0.3 3,-0.1 1,-0.2 -1,-0.0 0.770 124.2 -58.7 55.9 33.2 42.9 26.2 52.1 84 130 A Q T 3 S+ 0 0 57 1,-0.2 2,-0.4 137,-0.1 84,-0.4 0.758 110.9 116.1 66.5 29.1 42.1 30.0 52.3 85 131 A V B < +I 82 0B 16 -3,-1.2 -3,-1.5 82,-0.2 2,-0.4 -0.994 36.4 175.8-118.9 124.9 45.4 31.2 50.8 86 132 A Q E -J 166 0C 70 80,-3.2 80,-2.1 -2,-0.4 2,-0.8 -0.921 12.0-171.8-130.7 114.4 45.2 33.1 47.5 87 133 A I E -J 165 0C 8 -9,-1.3 2,-0.5 -2,-0.4 78,-0.2 -0.883 16.3-159.7-100.0 105.0 48.3 34.6 45.9 88 134 A S E +J 164 0C 8 76,-2.6 76,-2.5 -2,-0.8 2,-0.3 -0.778 22.3 157.5 -94.5 127.3 47.0 36.7 43.0 89 135 A T E +J 163 0C 12 -2,-0.5 2,-0.3 74,-0.2 74,-0.2 -0.979 10.1 165.9-147.6 153.5 49.5 37.5 40.3 90 136 A G E -J 162 0C 16 72,-1.6 72,-1.9 -2,-0.3 2,-0.3 -0.978 15.2-157.2-169.1 154.9 49.7 38.5 36.6 91 137 A S E +J 161 0C 16 -2,-0.3 25,-0.6 22,-0.3 2,-0.3 -0.954 11.8 175.8-134.6 155.0 51.8 39.8 33.7 92 138 A A E -Jk 160 116C 0 68,-1.8 68,-2.9 -2,-0.3 2,-0.4 -0.975 18.8-141.5-157.4 147.5 51.0 41.5 30.4 93 139 A L E -Jk 159 117C 1 23,-2.2 25,-3.2 -2,-0.3 2,-0.5 -0.921 7.7-163.0-110.7 139.6 53.0 43.1 27.6 94 140 A F E -Jk 158 118C 0 64,-2.1 64,-2.1 -2,-0.4 2,-0.3 -0.974 14.3-170.0-126.2 114.2 51.9 46.2 25.8 95 141 A I E -Jk 157 119C 0 23,-3.0 25,-3.0 -2,-0.5 62,-0.2 -0.828 30.4 -96.1-112.8 138.4 53.7 46.7 22.4 96 142 A E E > - k 0 120C 24 60,-2.6 3,-2.1 -2,-0.3 25,-0.2 -0.197 35.5-116.1 -57.5 143.2 53.6 49.8 20.1 97 143 A K T 3 S+ 0 0 55 23,-1.5 -1,-0.1 1,-0.3 24,-0.1 0.710 107.1 69.2 -54.7 -31.3 51.1 49.8 17.3 98 144 A R T 3 S+ 0 0 207 2,-0.0 2,-0.3 0, 0.0 -1,-0.3 0.726 92.8 73.0 -58.5 -25.6 53.6 49.8 14.5 99 145 A Q S < S- 0 0 15 -3,-2.1 2,-0.3 57,-0.1 -4,-0.1 -0.707 73.5-137.2-104.7 148.2 54.7 46.2 15.4 100 146 A Q - 0 0 163 -2,-0.3 2,-0.5 199,-0.3 -4,-0.1 -0.776 15.2-136.1 -98.1 143.7 53.0 42.9 14.9 101 147 A I - 0 0 28 -2,-0.3 2,-0.3 16,-0.1 198,-0.2 -0.889 22.2-121.7-100.2 129.5 52.9 40.2 17.5 102 148 A L >> - 0 0 71 196,-2.8 4,-2.0 -2,-0.5 3,-0.6 -0.553 8.8-140.5 -72.0 128.7 53.6 36.6 16.4 103 149 A T H 3> S+ 0 0 99 -2,-0.3 4,-2.6 1,-0.3 5,-0.2 0.839 101.9 62.6 -56.2 -40.3 50.7 34.2 17.2 104 150 A E H 3> S+ 0 0 110 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.899 107.0 43.1 -49.1 -49.6 53.3 31.6 18.1 105 151 A F H <> S+ 0 0 4 -3,-0.6 4,-2.7 2,-0.2 -2,-0.2 0.902 112.9 51.7 -66.8 -44.1 54.6 33.8 21.0 106 152 A Q H X S+ 0 0 64 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.848 109.1 50.6 -63.6 -35.8 51.1 34.7 22.1 107 153 A E H X S+ 0 0 123 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.912 113.5 45.0 -64.8 -47.5 50.1 31.0 22.3 108 154 A K H X S+ 0 0 89 -4,-1.9 4,-2.7 -5,-0.2 5,-0.5 0.853 111.1 54.4 -62.1 -39.3 53.1 30.2 24.3 109 155 A A H X S+ 0 0 1 -4,-2.7 6,-1.9 2,-0.2 4,-1.6 0.919 114.7 39.5 -62.8 -45.4 52.6 33.3 26.6 110 156 A K H X S+ 0 0 45 -4,-2.1 4,-1.9 4,-0.3 -2,-0.2 0.950 119.2 47.3 -67.8 -48.9 49.0 32.2 27.3 111 157 A T H < S+ 0 0 105 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.955 123.9 28.1 -57.9 -56.9 49.9 28.5 27.6 112 158 A L H < S+ 0 0 49 -4,-2.7 -1,-0.2 -5,-0.2 -3,-0.2 0.793 140.1 15.4 -79.5 -30.6 53.0 28.8 29.9 113 159 A Y H < S- 0 0 12 -4,-1.6 -22,-0.3 -5,-0.5 -3,-0.2 0.377 87.5-122.6-129.5 1.3 52.2 32.0 31.8 114 160 A Q S < S+ 0 0 114 -4,-1.9 -4,-0.3 -5,-0.2 2,-0.3 0.830 72.6 132.9 51.9 33.4 48.5 32.8 31.4 115 161 A A - 0 0 0 -6,-1.9 2,-0.3 -7,-0.1 -1,-0.2 -0.742 42.7-153.9-113.5 160.1 49.7 36.1 30.0 116 162 A E E -k 92 0C 95 -25,-0.6 -23,-2.2 -2,-0.3 2,-0.5 -0.947 11.2-138.0-132.8 156.5 48.9 38.2 26.9 117 163 A A E -k 93 0C 2 -2,-0.3 2,-0.3 -25,-0.2 -23,-0.2 -0.957 25.9-169.0-112.3 128.9 50.5 40.7 24.6 118 164 A F E -k 94 0C 55 -25,-3.2 -23,-3.0 -2,-0.5 2,-0.4 -0.866 23.1-117.8-119.1 152.2 48.5 43.7 23.5 119 165 A T E -k 95 0C 77 -2,-0.3 2,-0.3 -25,-0.2 -23,-0.2 -0.709 35.3-176.3 -81.8 133.9 48.9 46.4 21.0 120 166 A A E -k 96 0C 1 -25,-3.0 -23,-1.5 -2,-0.4 2,-1.0 -0.990 28.8-135.6-132.5 145.2 49.1 49.9 22.4 121 167 A D > + 0 0 49 -2,-0.3 3,-1.1 -25,-0.2 7,-0.4 -0.820 26.3 175.8 -95.2 94.3 49.3 53.4 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