==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE INHIBITOR 01-NOV-08 2ZV6 . COMPND 2 MOLECULE: SERPIN B3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.ZHENG,Y.MATOBA,C.KATAGIRI,T.HIBINO,M.SUGIYAMA . 1071 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45271.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 808 75.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 55 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 178 16.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.6 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 . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 131 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 112 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 255 23.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 1.8 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 1 1 5 2 2 2 4 1 3 1 2 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 0 4 0 0 2 1 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 8 8 3 4 1 3 1 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 2 4 1 4 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 2 A N > 0 0 60 0, 0.0 4,-1.8 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0-169.9 28.4 59.9 15.6 2 3 A S H > + 0 0 92 1,-0.3 4,-2.2 2,-0.2 5,-0.1 0.743 360.0 63.5 -59.7 -20.2 26.2 57.0 14.4 3 4 A L H > S+ 0 0 21 2,-0.2 4,-3.4 1,-0.2 -1,-0.3 0.938 99.3 47.0 -67.1 -50.7 28.4 55.4 17.0 4 5 A S H > S+ 0 0 3 -3,-0.3 4,-1.3 1,-0.2 -2,-0.2 0.821 109.6 58.0 -60.8 -29.4 26.9 57.6 19.7 5 6 A E H X S+ 0 0 102 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.943 109.9 40.8 -62.9 -51.0 23.6 56.7 18.2 6 7 A A H X S+ 0 0 9 -4,-2.2 4,-2.4 1,-0.2 5,-0.3 0.916 112.2 56.1 -63.1 -44.6 24.3 53.0 18.7 7 8 A N H X S+ 0 0 0 -4,-3.4 4,-1.2 1,-0.2 -1,-0.2 0.790 109.4 48.8 -59.2 -27.2 25.7 53.8 22.2 8 9 A T H X S+ 0 0 22 -4,-1.3 4,-1.3 -3,-0.2 -2,-0.2 0.940 109.3 47.7 -79.8 -50.2 22.4 55.5 23.0 9 10 A K H >X S+ 0 0 75 -4,-2.2 4,-2.1 1,-0.2 3,-1.1 0.944 112.4 51.2 -53.9 -51.4 20.0 52.8 21.8 10 11 A F H 3X S+ 0 0 0 -4,-2.4 4,-4.1 1,-0.3 5,-0.3 0.915 103.8 58.8 -50.2 -49.3 22.0 50.2 23.8 11 12 A M H 3X S+ 0 0 4 -4,-1.2 4,-2.3 -5,-0.3 -1,-0.3 0.801 107.6 46.6 -52.5 -34.2 21.8 52.4 26.8 12 13 A F H X S+ 0 0 15 -4,-1.6 4,-1.1 -3,-0.5 3,-0.6 0.945 108.3 51.6 -71.6 -49.2 16.5 45.7 32.0 18 19 A F H >X S+ 0 0 11 -4,-2.0 4,-3.9 -3,-0.3 3,-0.5 0.867 105.2 61.7 -53.7 -36.9 17.7 47.6 35.0 19 20 A R H 3< S+ 0 0 45 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.899 98.1 54.4 -55.6 -47.4 14.2 48.8 35.3 20 21 A K H << S+ 0 0 119 -4,-1.2 -1,-0.2 -3,-0.6 -2,-0.2 0.805 123.4 26.5 -58.9 -31.4 12.9 45.3 35.9 21 22 A S H << S+ 0 0 98 -4,-1.1 2,-0.5 -3,-0.5 -2,-0.2 0.871 117.0 53.0-100.3 -48.1 15.3 44.8 38.8 22 23 A K < + 0 0 38 -4,-3.9 -1,-0.2 -5,-0.2 4,-0.1 -0.818 43.8 169.9 -98.7 127.3 16.1 48.2 40.3 23 24 A E + 0 0 159 -2,-0.5 -1,-0.1 2,-0.1 2,-0.1 0.060 69.0 57.5-119.7 21.5 13.3 50.6 41.4 24 25 A N S S- 0 0 84 1,-0.1 2,-0.7 327,-0.0 -2,-0.1 -0.006 112.0 -21.7-119.8-134.7 15.6 53.0 43.2 25 26 A N - 0 0 28 324,-0.1 2,-0.6 -2,-0.1 324,-0.2 -0.731 60.8-175.4 -86.3 115.7 18.5 55.0 41.9 26 27 A I E +A 348 0A 0 -2,-0.7 322,-0.9 322,-0.6 2,-0.4 -0.937 9.4 167.0-115.6 114.9 20.0 53.4 38.8 27 28 A F E +A 347 0A 0 -2,-0.6 285,-0.4 320,-0.3 2,-0.3 -0.986 3.2 152.4-128.9 137.8 23.1 55.0 37.4 28 29 A Y E -A 346 0A 0 318,-2.6 318,-1.0 -2,-0.4 3,-0.1 -0.995 44.4-114.5-161.2 154.8 25.6 53.6 34.8 29 30 A S > - 0 0 0 -2,-0.3 4,-2.6 316,-0.2 5,-0.2 -0.747 24.2-175.7 -97.0 94.8 28.1 54.6 32.1 30 31 A P H > S+ 0 0 0 0, 0.0 4,-3.2 0, 0.0 -1,-0.2 0.895 87.4 48.8 -52.7 -42.5 26.7 53.5 28.8 31 32 A I H > S+ 0 0 16 312,-0.3 4,-2.1 2,-0.2 5,-0.2 0.885 109.3 50.1 -67.7 -40.5 29.9 54.6 27.1 32 33 A S H > S+ 0 0 2 312,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.961 116.4 42.8 -62.5 -49.3 32.2 52.9 29.5 33 34 A I H X S+ 0 0 2 -4,-2.6 4,-2.1 2,-0.2 5,-0.2 0.953 110.4 54.8 -59.1 -56.2 30.2 49.7 29.1 34 35 A T H X S+ 0 0 1 -4,-3.2 4,-0.9 -5,-0.2 -1,-0.2 0.887 114.0 42.5 -45.7 -46.1 29.9 50.0 25.3 35 36 A S H >X S+ 0 0 9 -4,-2.1 4,-2.2 2,-0.2 3,-0.9 0.924 105.0 61.9 -68.4 -46.7 33.7 50.3 25.1 36 37 A A H 3X S+ 0 0 1 -4,-2.7 4,-1.3 1,-0.3 -1,-0.2 0.878 110.2 43.8 -45.8 -39.9 34.4 47.6 27.6 37 38 A L H 3X S+ 0 0 8 -4,-2.1 4,-3.0 2,-0.2 -1,-0.3 0.708 106.9 58.0 -79.7 -25.2 32.6 45.3 25.1 38 39 A G H < S+ 0 0 4 -4,-1.3 3,-0.5 -5,-0.3 -2,-0.2 0.930 108.3 60.6 -69.7 -44.6 36.4 42.3 24.2 41 42 A L H >< S+ 0 0 8 -4,-3.0 3,-1.7 1,-0.2 -1,-0.2 0.814 94.7 67.4 -52.1 -31.2 34.7 42.2 20.8 42 43 A L H 3< S+ 0 0 48 -4,-1.0 -1,-0.2 1,-0.3 -2,-0.2 0.974 105.5 38.6 -52.3 -59.8 38.2 42.7 19.4 43 44 A G T << S+ 0 0 1 -4,-0.9 254,-1.1 -3,-0.5 253,-0.6 -0.012 103.8 93.4 -84.2 31.3 39.4 39.3 20.5 44 45 A A < - 0 0 11 -3,-1.7 2,-0.3 250,-0.2 250,-0.2 -0.946 52.9-169.0-124.9 145.9 36.1 37.6 19.7 45 46 A K > - 0 0 124 248,-2.3 3,-1.2 -2,-0.4 4,-0.4 -0.922 40.6 -10.0-135.8 160.5 35.0 35.8 16.5 46 47 A D T >> S- 0 0 96 -2,-0.3 4,-2.2 1,-0.2 3,-1.8 -0.076 120.1 -5.8 56.8-152.1 32.0 34.4 14.7 47 48 A N H 3> S+ 0 0 97 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.691 133.0 59.2 -46.8 -24.8 28.6 33.9 16.4 48 49 A T H <> S+ 0 0 3 -3,-1.2 4,-1.2 2,-0.2 -1,-0.3 0.890 111.4 40.0 -73.0 -37.6 30.1 35.1 19.7 49 50 A A H <> S+ 0 0 8 -3,-1.8 4,-2.2 -4,-0.4 -2,-0.2 0.789 109.6 61.7 -78.4 -30.0 31.1 38.4 18.2 50 51 A Q H X S+ 0 0 122 -4,-2.2 4,-2.0 2,-0.2 5,-0.3 0.925 100.7 52.6 -62.7 -44.8 27.8 38.6 16.2 51 52 A Q H X S+ 0 0 28 -4,-1.6 4,-2.9 1,-0.2 3,-0.3 0.964 109.8 49.8 -54.3 -54.9 25.8 38.6 19.5 52 53 A I H X S+ 0 0 2 -4,-1.2 4,-3.0 1,-0.2 -1,-0.2 0.908 109.1 51.1 -46.5 -54.7 27.9 41.5 20.8 53 54 A K H <>S+ 0 0 96 -4,-2.2 5,-4.2 1,-0.2 -1,-0.2 0.842 113.9 43.0 -58.1 -38.3 27.5 43.6 17.6 54 55 A K H ><5S+ 0 0 99 -4,-2.0 3,-0.8 -3,-0.3 -1,-0.2 0.909 115.2 48.6 -74.7 -43.5 23.7 43.2 17.5 55 56 A V H 3<5S+ 0 0 5 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.878 115.4 45.7 -61.2 -38.4 23.4 43.9 21.3 56 57 A L T 3<5S- 0 0 0 -4,-3.0 -1,-0.3 -5,-0.3 -46,-0.2 0.480 122.2-114.3 -82.8 -5.5 25.7 46.9 20.8 57 58 A H T < 5 0 0 67 -3,-0.8 -3,-0.3 -5,-0.2 -2,-0.1 0.877 360.0 360.0 75.8 44.7 23.6 47.8 17.7 58 59 A F < 0 0 111 -5,-4.2 -1,-0.2 -6,-0.1 -2,-0.0 -0.640 360.0 360.0-107.7 360.0 25.9 47.4 14.8 59 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 60 80 A N > 0 0 162 0, 0.0 3,-1.8 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 120.8 35.7 51.6 11.6 61 81 A V T >> + 0 0 34 1,-0.3 4,-2.0 2,-0.1 3,-1.0 -0.113 360.0 47.5 40.2 -88.1 34.2 51.2 15.1 62 82 A H H 3> S+ 0 0 27 -2,-0.5 4,-1.3 1,-0.3 -1,-0.3 0.792 105.4 66.7 -49.1 -29.0 37.2 50.7 17.3 63 83 A H H <> S+ 0 0 103 -3,-1.8 4,-1.6 1,-0.2 -1,-0.3 0.955 108.7 34.0 -57.7 -52.0 38.7 53.7 15.5 64 84 A Q H <> S+ 0 0 40 -3,-1.0 4,-3.3 2,-0.2 5,-0.3 0.729 110.9 61.9 -78.3 -25.1 36.1 56.0 17.0 65 85 A F H X S+ 0 0 3 -4,-2.0 4,-1.0 2,-0.2 -1,-0.2 0.774 111.9 40.4 -71.5 -22.6 35.8 54.3 20.3 66 86 A Q H X S+ 0 0 42 -4,-1.3 4,-2.5 -5,-0.3 -2,-0.2 0.821 114.6 53.6 -87.7 -37.6 39.4 55.1 20.8 67 87 A K H X S+ 0 0 89 -4,-1.6 4,-1.3 -5,-0.2 -2,-0.2 0.935 113.7 40.7 -60.1 -51.7 38.9 58.6 19.3 68 88 A L H X S+ 0 0 13 -4,-3.3 4,-1.3 2,-0.2 5,-0.2 0.890 112.9 56.4 -66.0 -40.9 36.1 59.4 21.7 69 89 A L H X S+ 0 0 24 -4,-1.0 4,-1.8 -5,-0.3 5,-0.2 0.953 100.7 55.8 -57.0 -55.0 37.9 57.8 24.6 70 90 A T H >X S+ 0 0 66 -4,-2.5 4,-1.1 1,-0.2 3,-0.7 0.907 102.1 60.8 -41.5 -53.9 41.0 60.0 24.2 71 91 A E H >< S+ 0 0 75 -4,-1.3 3,-2.2 1,-0.3 -1,-0.2 0.911 108.1 39.1 -38.4 -69.0 38.8 63.0 24.5 72 92 A F H 3< S+ 0 0 9 -4,-1.3 -1,-0.3 1,-0.3 9,-0.3 0.729 114.9 56.5 -59.1 -23.1 37.5 62.2 28.0 73 93 A N H << S+ 0 0 64 -4,-1.8 2,-1.3 -3,-0.7 -1,-0.3 0.577 76.9 109.0 -84.9 -11.6 41.0 61.1 28.9 74 94 A K S << S- 0 0 105 -3,-2.2 -3,-0.0 -4,-1.1 -4,-0.0 -0.540 82.1-122.8 -68.0 98.2 42.4 64.5 27.9 75 95 A S + 0 0 123 -2,-1.3 2,-0.3 2,-0.1 -2,-0.1 -0.157 49.9 156.3 -45.2 130.1 43.2 65.7 31.3 76 96 A T - 0 0 47 3,-0.3 3,-0.2 -4,-0.1 -1,-0.0 -0.967 52.6-127.1-154.2 163.9 41.3 68.9 31.9 77 97 A D S S+ 0 0 112 -2,-0.3 140,-0.1 1,-0.2 88,-0.1 0.397 94.1 86.4 -96.7 1.3 40.0 71.1 34.7 78 98 A A S S- 0 0 6 86,-0.1 87,-2.3 138,-0.1 139,-0.7 0.898 113.2 -30.4 -63.9 -40.2 36.5 71.2 33.2 79 99 A Y - 0 0 20 85,-0.3 -3,-0.3 -3,-0.2 2,-0.2 -0.699 61.4-120.7-152.5-157.4 35.8 67.9 35.0 80 100 A E + 0 0 70 -2,-0.2 83,-1.7 -5,-0.1 2,-0.4 -0.773 24.9 175.0-168.1 115.6 37.6 64.8 36.3 81 101 A L E -F 162 0B 23 -9,-0.3 2,-0.5 -2,-0.2 81,-0.3 -0.957 16.7-159.9-127.7 147.9 36.9 61.2 35.5 82 102 A K E -F 161 0B 67 79,-2.5 79,-1.4 -2,-0.4 2,-0.9 -0.875 11.2-170.0-127.9 96.2 38.6 58.0 36.4 83 103 A I E -F 160 0B 38 -2,-0.5 2,-1.1 77,-0.2 77,-0.2 -0.768 2.6-174.2 -92.1 103.1 37.8 55.2 34.0 84 104 A A E +F 159 0B 0 75,-1.2 75,-2.0 -2,-0.9 2,-0.6 -0.679 18.7 157.9 -97.7 83.1 39.1 51.8 35.4 85 105 A N + 0 0 12 -2,-1.1 2,-0.3 73,-0.2 73,-0.2 -0.821 10.8 147.7-114.4 98.1 38.4 49.3 32.6 86 106 A K - 0 0 20 -2,-0.6 71,-2.7 71,-0.4 2,-0.5 -0.919 42.0-128.7-131.6 155.7 40.5 46.1 32.5 87 107 A L E -gH 111 156B 0 23,-0.7 25,-0.9 -2,-0.3 2,-0.6 -0.846 22.3-164.8 -97.6 125.0 40.4 42.4 31.6 88 108 A F E +gH 112 155B 0 67,-1.9 67,-0.5 -2,-0.5 2,-0.3 -0.948 16.4 173.2-114.5 119.1 41.4 40.0 34.3 89 109 A G E -gH 113 154B 0 23,-1.1 25,-2.8 -2,-0.6 65,-0.2 -0.859 38.7 -87.0-126.6 162.4 42.1 36.4 33.2 90 110 A E E > -g 114 0B 12 63,-1.8 3,-1.6 -2,-0.3 25,-0.2 -0.344 38.6-125.7 -60.3 139.4 43.5 33.2 34.5 91 111 A K T 3 S+ 0 0 65 23,-1.3 -1,-0.1 1,-0.3 24,-0.1 0.965 103.6 67.8 -50.1 -63.3 47.3 33.0 34.2 92 112 A T T 3 S+ 0 0 88 22,-0.1 2,-0.5 2,-0.1 -1,-0.3 0.547 83.9 87.7 -34.9 -19.2 47.3 29.7 32.3 93 113 A Y S < S- 0 0 62 -3,-1.6 2,-0.7 60,-0.1 -4,-0.1 -0.788 72.0-149.5 -90.8 127.1 45.7 31.5 29.3 94 114 A L - 0 0 137 -2,-0.5 2,-0.4 204,-0.2 -2,-0.1 -0.852 9.8-146.4-103.1 109.8 48.3 33.0 27.0 95 115 A F - 0 0 28 -2,-0.7 203,-0.3 1,-0.1 202,-0.1 -0.588 18.5-116.1 -81.7 128.8 47.1 36.1 25.3 96 116 A L > - 0 0 79 201,-1.1 4,-1.7 -2,-0.4 3,-0.3 -0.342 17.3-135.2 -59.6 130.2 48.4 36.9 21.8 97 117 A Q H > S+ 0 0 126 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.861 103.5 65.5 -55.9 -38.5 50.4 40.1 21.7 98 118 A E H >> S+ 0 0 134 1,-0.2 4,-1.8 2,-0.2 3,-0.9 0.960 103.0 46.0 -48.8 -55.8 48.5 41.2 18.6 99 119 A Y H 3> S+ 0 0 11 197,-0.4 4,-2.1 -3,-0.3 5,-0.3 0.933 109.1 54.9 -53.3 -49.3 45.3 41.4 20.7 100 120 A L H 3X S+ 0 0 31 -4,-1.7 4,-1.6 1,-0.2 -1,-0.3 0.795 106.1 54.7 -56.0 -28.9 47.2 43.3 23.5 101 121 A D H + 0 0 39 -2,-0.3 4,-0.8 -25,-0.2 8,-0.2 -0.479 49.9 154.4 -74.5 78.4 45.9 33.1 39.4 116 136 A F T 4 S+ 0 0 0 -2,-2.1 -1,-0.2 36,-0.2 7,-0.1 0.946 71.0 51.4 -67.8 -49.2 42.1 32.6 39.4 117 137 A A T 4 S+ 0 0 40 -3,-0.3 -2,-0.1 2,-0.2 -1,-0.0 0.964 123.9 17.7 -49.6 -88.2 42.5 28.8 39.8 118 138 A N T 4 S+ 0 0 128 1,-0.2 3,-0.2 2,-0.1 -1,-0.2 0.823 138.4 31.6 -60.9 -37.1 44.9 28.3 42.7 119 139 A A X + 0 0 9 -4,-0.8 4,-0.8 1,-0.1 -1,-0.2 -0.535 62.4 148.8-125.1 69.1 44.6 31.7 44.3 120 140 A P H > S+ 0 0 21 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.802 78.1 52.0 -68.8 -28.0 41.0 33.1 43.7 121 141 A E H > S+ 0 0 101 2,-0.2 4,-1.3 1,-0.2 3,-0.4 0.963 110.5 43.6 -71.8 -54.5 41.1 35.0 47.0 122 142 A E H > S+ 0 0 115 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.703 110.8 63.8 -63.2 -18.0 44.4 36.8 46.4 123 143 A S H X S+ 0 0 1 -4,-0.8 4,-1.8 -8,-0.2 -1,-0.2 0.925 97.0 51.5 -71.7 -48.4 43.0 37.3 42.9 124 144 A R H >X S+ 0 0 33 -4,-1.5 4,-2.9 -3,-0.4 3,-0.6 0.976 109.3 48.9 -52.1 -64.3 40.0 39.5 44.0 125 145 A K H 3X>S+ 0 0 95 -4,-1.3 4,-2.1 1,-0.3 5,-0.5 0.885 104.8 60.7 -42.7 -49.6 42.1 41.9 46.0 126 146 A K H 3X5S+ 0 0 86 -4,-1.4 4,-1.8 1,-0.2 -1,-0.3 0.931 113.2 36.8 -43.4 -56.5 44.5 42.3 43.1 127 147 A I H X5S+ 0 0 5 -4,-2.9 4,-1.8 2,-0.2 3,-1.1 0.994 111.7 43.3 -55.3 -72.0 39.9 45.5 43.8 129 149 A S H 3X5S+ 0 0 66 -4,-2.1 4,-1.9 1,-0.3 5,-0.3 0.834 111.2 56.0 -43.6 -42.7 43.0 47.5 44.8 130 150 A W H 3X<>S+ 0 0 39 -4,-1.8 5,-3.3 1,-0.2 3,-2.6 0.984 114.0 43.5 -55.8 -65.5 40.7 51.9 43.8 133 153 A S H ><5S+ 0 0 86 -4,-1.9 3,-0.7 1,-0.3 -1,-0.2 0.726 111.0 57.7 -53.2 -25.5 44.1 53.4 42.8 134 154 A Q H 3<5S+ 0 0 82 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.618 112.0 41.1 -82.1 -12.8 42.8 53.6 39.2 135 155 A T T X<5S- 0 0 0 -3,-2.6 3,-2.1 -4,-0.7 4,-0.4 -0.246 124.1 -93.9-127.2 42.6 39.9 55.8 40.3 136 156 A N T < 5S- 0 0 87 -3,-0.7 -3,-0.2 1,-0.3 -4,-0.1 0.675 78.0 -68.2 54.6 18.5 41.7 58.1 42.8 137 157 A E T 3 > - 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