==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 28-NOV-00 1G9Z . COMPND 2 MOLECULE: 5'-D(*GP*CP*AP*AP*AP*AP*CP*GP*TP*CP*GP*TP*GP*A)- . SOURCE 2 SYNTHETIC: YES; . AUTHOR B.CHEVALIER,R.J.MONNAT,B.L.STODDARD . 304 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15513.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 219 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 46 15.1 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 . 2 0.7 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 . 16 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 121 39.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 3 0 0 0 0 0 0 4 1 0 2 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 150 0, 0.0 2,-0.1 0, 0.0 80,-0.0 0.000 360.0 360.0 360.0 143.4 -18.0 56.8 48.2 2 3 A T - 0 0 73 59,-0.1 2,-0.6 1,-0.1 59,-0.0 -0.427 360.0-138.3 -72.1 138.5 -17.6 53.2 49.2 3 4 A K - 0 0 176 -2,-0.1 2,-0.3 86,-0.0 -1,-0.1 -0.870 18.7-146.7-100.1 122.0 -19.4 51.8 52.3 4 5 A Y - 0 0 19 -2,-0.6 57,-0.1 1,-0.1 2,-0.0 -0.652 22.6-101.5 -92.5 146.4 -17.3 49.5 54.4 5 6 A N > - 0 0 101 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.326 26.4-130.5 -61.4 140.0 -18.6 46.5 56.4 6 7 A K H > S+ 0 0 100 1,-0.2 4,-2.3 2,-0.2 -1,-0.1 0.876 106.9 49.2 -61.9 -41.9 -18.9 47.2 60.2 7 8 A E H > S+ 0 0 74 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.844 109.3 53.8 -68.4 -33.1 -17.1 44.0 61.3 8 9 A F H > S+ 0 0 24 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.936 111.3 45.5 -63.9 -46.7 -14.3 44.8 58.8 9 10 A L H X S+ 0 0 6 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.864 110.1 55.0 -65.3 -37.0 -14.0 48.3 60.4 10 11 A L H X S+ 0 0 8 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.956 113.2 40.6 -61.6 -50.4 -14.1 46.8 63.9 11 12 A Y H X S+ 0 0 5 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.933 116.8 49.0 -63.2 -47.9 -11.2 44.5 63.3 12 13 A L H X S+ 0 0 1 -4,-2.7 4,-3.5 1,-0.2 5,-0.3 0.881 105.3 57.5 -61.8 -39.8 -9.2 47.0 61.3 13 14 A A H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 82,-0.3 0.913 109.1 46.8 -57.4 -42.6 -9.6 49.7 64.0 14 15 A G H X S+ 0 0 0 -4,-1.5 4,-1.4 2,-0.2 -1,-0.2 0.922 113.7 47.0 -65.5 -42.6 -8.1 47.4 66.5 15 16 A F H X>S+ 0 0 0 -4,-2.1 4,-3.3 2,-0.2 5,-0.6 0.902 113.1 49.9 -65.8 -40.7 -5.2 46.5 64.1 16 17 A V H X5S+ 0 0 0 -4,-3.5 4,-1.9 1,-0.2 -2,-0.2 0.930 106.4 54.1 -63.8 -45.5 -4.7 50.2 63.3 17 18 A D H <5S+ 0 0 2 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.864 118.7 38.5 -57.8 -31.5 -4.6 51.1 67.0 18 19 A G H <5S+ 0 0 14 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.969 139.7 1.2 -82.3 -58.0 -1.9 48.5 67.3 19 20 A D H <5S+ 0 0 41 -4,-3.3 26,-1.8 -5,-0.1 -3,-0.2 0.343 108.4 91.5-116.7 4.5 0.3 48.7 64.2 20 21 A G E << -A 44 0A 7 -4,-1.9 2,-0.3 -5,-0.6 24,-0.2 -0.331 55.6-150.0 -94.0 179.1 -1.2 51.5 62.1 21 22 A S E -A 43 0A 28 22,-2.3 22,-2.2 -2,-0.1 2,-0.6 -0.974 9.9-154.9-153.9 134.5 -0.4 55.2 62.1 22 23 A I E -A 42 0A 1 -2,-0.3 2,-0.3 20,-0.2 20,-0.2 -0.958 32.4-172.0-112.5 108.7 -2.4 58.3 61.4 23 24 A I E -A 41 0A 34 18,-3.1 18,-2.9 -2,-0.6 2,-0.4 -0.841 22.9-176.2-114.9 143.6 0.1 60.9 60.2 24 25 A A E +A 40 0A 5 -2,-0.3 2,-0.3 16,-0.2 16,-0.2 -0.997 17.5 177.6-132.0 132.2 0.0 64.6 59.4 25 26 A Q E -A 39 0A 72 14,-3.0 14,-3.2 -2,-0.4 2,-0.6 -0.982 30.6-147.3-141.4 154.2 3.1 66.4 58.1 26 27 A I E -A 38 0A 5 116,-0.5 12,-0.2 -2,-0.3 116,-0.1 -0.974 29.3-163.4-117.5 106.2 4.2 69.8 56.9 27 28 A K E -A 37 0A 71 10,-2.7 10,-2.8 -2,-0.6 2,-0.3 -0.854 18.7-125.0-101.2 122.9 6.8 69.1 54.2 28 29 A P E +A 36 0A 87 0, 0.0 2,-0.3 0, 0.0 8,-0.3 -0.473 45.1 154.1 -66.6 124.1 9.2 71.9 53.1 29 30 A N > - 0 0 65 6,-2.1 3,-1.4 -2,-0.3 -2,-0.0 -0.888 38.0-149.4-155.3 117.3 8.9 72.2 49.3 30 31 A Q T 3 S+ 0 0 143 -2,-0.3 5,-0.2 1,-0.3 6,-0.1 0.672 90.0 72.0 -63.4 -20.9 9.6 75.4 47.4 31 32 A S T 3 S+ 0 0 103 4,-0.1 2,-0.3 3,-0.1 -1,-0.3 0.564 83.4 87.9 -75.4 -5.4 7.1 74.8 44.7 32 33 A Y S X S- 0 0 79 -3,-1.4 3,-1.9 1,-0.1 5,-0.1 -0.661 86.0-119.8 -94.9 151.2 4.2 75.5 47.0 33 34 A K T 3 S+ 0 0 155 1,-0.3 -1,-0.1 -2,-0.3 4,-0.1 0.923 117.2 34.3 -50.9 -52.4 2.8 79.0 47.7 34 35 A F T 3 S- 0 0 23 2,-0.3 -1,-0.3 1,-0.0 -3,-0.1 0.120 115.2-112.9 -93.4 22.2 3.6 78.8 51.4 35 36 A K S < S+ 0 0 100 -3,-1.9 -6,-2.1 -5,-0.2 2,-0.3 0.555 90.0 84.0 60.5 10.7 6.8 76.9 50.8 36 37 A H E -A 28 0A 24 -8,-0.3 2,-0.4 -6,-0.1 -2,-0.3 -0.997 67.0-139.2-144.0 146.8 5.3 73.8 52.5 37 38 A Q E -A 27 0A 61 -10,-2.8 -10,-2.7 -2,-0.3 2,-0.8 -0.864 15.6-137.0-105.1 137.3 3.0 70.9 51.7 38 39 A L E -A 26 0A 28 -2,-0.4 2,-0.4 -12,-0.2 -12,-0.2 -0.856 31.3-171.7 -91.9 111.7 0.3 69.7 54.0 39 40 A S E -A 25 0A 16 -14,-3.2 -14,-3.0 -2,-0.8 2,-0.4 -0.927 10.3-169.6-112.5 131.4 0.6 65.9 53.8 40 41 A L E -A 24 0A 14 -2,-0.4 2,-0.4 38,-0.2 -16,-0.2 -0.964 8.9-179.5-119.6 133.9 -1.8 63.4 55.3 41 42 A T E -A 23 0A 15 -18,-2.9 -18,-3.1 -2,-0.4 2,-0.5 -0.993 19.9-168.8-140.8 135.3 -1.2 59.7 55.6 42 43 A F E +AB 22 77A 0 35,-2.3 35,-2.2 -2,-0.4 2,-0.3 -0.979 29.8 167.0-113.3 129.3 -3.0 56.6 56.9 43 44 A Q E -AB 21 76A 31 -22,-2.2 -22,-2.3 -2,-0.5 2,-0.4 -0.973 31.5-156.6-144.9 158.2 -0.7 53.6 57.0 44 45 A V E -AB 20 75A 0 31,-1.8 31,-2.8 -2,-0.3 2,-0.3 -0.991 20.6-153.4-133.6 124.2 -0.4 50.1 58.4 45 46 A T E + B 0 74A 33 -26,-1.8 2,-0.3 -2,-0.4 29,-0.2 -0.768 21.2 160.4-101.4 143.4 3.0 48.6 58.8 46 47 A Q E - B 0 73A 11 27,-2.3 27,-2.9 -2,-0.3 -2,-0.0 -0.980 46.8 -86.9-160.3 150.0 3.9 44.9 58.8 47 48 A K E > - B 0 72A 74 -2,-0.3 3,-2.3 25,-0.2 25,-0.3 -0.257 44.4-120.2 -53.9 138.0 6.8 42.5 58.3 48 49 A T G > S+ 0 0 37 23,-2.1 3,-2.5 1,-0.3 4,-0.2 0.809 110.6 67.5 -56.7 -30.5 7.2 41.9 54.6 49 50 A Q G 3 S+ 0 0 127 22,-0.4 -1,-0.3 1,-0.3 3,-0.3 0.747 105.1 46.9 -62.7 -17.9 6.7 38.1 55.0 50 51 A R G X> S+ 0 0 42 -3,-2.3 3,-1.6 1,-0.2 4,-0.7 0.063 74.1 121.1-107.8 23.6 3.2 39.1 55.9 51 52 A R H <> + 0 0 83 -3,-2.5 4,-2.6 1,-0.3 3,-0.5 0.790 60.6 74.2 -57.3 -27.3 2.8 41.5 53.0 52 53 A W H 3> S+ 0 0 126 -3,-0.3 4,-2.5 1,-0.3 -1,-0.3 0.875 92.0 55.4 -54.2 -37.7 -0.2 39.5 51.8 53 54 A F H <> S+ 0 0 5 -3,-1.6 4,-1.1 1,-0.2 -1,-0.3 0.896 109.9 45.2 -62.4 -40.0 -2.2 41.0 54.7 54 55 A L H X S+ 0 0 0 -4,-0.7 4,-1.4 -3,-0.5 -2,-0.2 0.874 110.7 53.2 -70.7 -39.8 -1.3 44.5 53.4 55 56 A D H X S+ 0 0 71 -4,-2.6 4,-1.4 1,-0.2 3,-0.4 0.914 106.4 53.6 -61.3 -43.1 -2.1 43.5 49.8 56 57 A K H X S+ 0 0 89 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.842 102.9 58.1 -60.5 -34.0 -5.5 42.3 50.9 57 58 A L H X S+ 0 0 3 -4,-1.1 4,-3.1 1,-0.2 5,-0.5 0.861 100.4 56.4 -65.1 -36.0 -6.1 45.7 52.6 58 59 A V H X S+ 0 0 40 -4,-1.4 4,-1.5 -3,-0.4 -1,-0.2 0.912 112.1 42.7 -61.0 -41.1 -5.6 47.4 49.2 59 60 A D H < S+ 0 0 127 -4,-1.4 -2,-0.2 2,-0.2 -1,-0.2 0.904 117.9 44.6 -71.3 -43.0 -8.4 45.2 47.8 60 61 A E H < S+ 0 0 59 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.880 120.0 38.9 -70.9 -40.6 -10.7 45.6 50.9 61 62 A I H < S- 0 0 2 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.821 100.3-142.9 -78.9 -29.6 -10.3 49.3 51.3 62 63 A G S < S+ 0 0 61 -4,-1.5 2,-0.3 -5,-0.5 -3,-0.1 0.437 70.3 57.5 85.6 -1.1 -10.3 49.7 47.5 63 64 A V S S+ 0 0 22 -6,-0.3 -1,-0.2 -5,-0.1 -2,-0.2 -0.915 74.8 52.8-149.9 168.9 -7.7 52.4 47.3 64 65 A G - 0 0 21 -2,-0.3 2,-0.3 -3,-0.1 13,-0.2 -0.319 61.9-119.3 93.6-177.4 -4.1 52.9 48.4 65 66 A Y E -C 76 0A 136 11,-1.8 11,-2.9 -2,-0.1 2,-0.4 -0.955 12.2-111.5-156.9 171.8 -1.0 50.8 47.8 66 67 A V E -C 75 0A 17 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.940 26.7-163.4-115.3 132.3 1.7 48.8 49.5 67 68 A R E -C 74 0A 110 7,-2.7 7,-2.4 -2,-0.4 2,-0.4 -0.868 12.1-134.8-115.8 152.8 5.3 49.9 49.5 68 69 A D E +C 73 0A 93 -2,-0.3 5,-0.2 5,-0.2 3,-0.1 -0.868 24.6 169.1-106.8 134.5 8.4 47.8 50.3 69 70 A R E > -C 72 0A 122 3,-2.5 3,-0.5 -2,-0.4 2,-0.5 -0.385 61.7 -81.5-139.5 58.2 11.2 49.1 52.6 70 71 A G T 3 S+ 0 0 50 1,-0.2 -1,-0.2 -23,-0.0 -22,-0.0 -0.702 110.0 2.4 87.9-125.4 13.3 46.0 53.2 71 72 A S T 3 S+ 0 0 95 -2,-0.5 -23,-2.1 -3,-0.1 -22,-0.4 0.470 131.1 58.9 -78.3 -1.2 12.2 43.6 55.9 72 73 A V E < -BC 47 69A 36 -3,-0.5 -3,-2.5 -25,-0.3 2,-0.3 -0.946 63.8-168.2-130.0 148.2 9.1 45.7 56.4 73 74 A S E -BC 46 68A 0 -27,-2.9 -27,-2.3 -2,-0.3 2,-0.4 -0.877 7.2-150.2-129.3 164.6 6.3 46.9 54.2 74 75 A D E -BC 45 67A 0 -7,-2.4 -7,-2.7 -2,-0.3 2,-0.6 -0.997 13.4-141.9-142.2 137.0 3.5 49.5 54.5 75 76 A Y E -BC 44 66A 0 -31,-2.8 -31,-1.8 -2,-0.4 2,-0.4 -0.892 33.2-166.9 -90.7 128.4 -0.0 50.0 53.3 76 77 A I E -BC 43 65A 15 -11,-2.9 -11,-1.8 -2,-0.6 2,-0.4 -0.916 20.1-179.6-123.2 137.0 -0.4 53.7 52.5 77 78 A L E +B 42 0A 0 -35,-2.2 -35,-2.3 -2,-0.4 -2,-0.0 -0.963 22.5 143.8-136.2 112.0 -3.5 55.8 51.8 78 79 A S + 0 0 49 -2,-0.4 -38,-0.2 -37,-0.2 2,-0.1 0.545 29.1 120.3-121.6 -20.3 -2.9 59.5 51.1 79 80 A E > - 0 0 119 1,-0.2 4,-2.5 4,-0.1 5,-0.2 -0.313 61.0-142.1 -50.7 114.6 -5.5 60.3 48.4 80 81 A I H > S+ 0 0 74 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.842 91.1 47.6 -52.8 -45.5 -7.4 63.0 50.3 81 82 A K H > S+ 0 0 116 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.957 117.4 39.5 -66.4 -51.7 -11.0 62.1 49.2 82 83 A P H > S+ 0 0 29 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.843 114.3 57.0 -67.0 -29.3 -10.8 58.4 49.8 83 84 A L H X S+ 0 0 1 -4,-2.5 4,-3.0 2,-0.2 5,-0.3 0.945 107.3 47.7 -64.3 -46.6 -8.8 59.1 53.0 84 85 A H H X S+ 0 0 29 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.926 113.3 47.3 -59.6 -47.1 -11.6 61.2 54.3 85 86 A N H X S+ 0 0 22 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.929 115.8 45.7 -60.3 -45.8 -14.3 58.6 53.5 86 87 A F H >X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 3,-0.6 0.963 113.8 45.3 -63.0 -56.3 -12.3 55.9 55.0 87 88 A L H 3X S+ 0 0 1 -4,-3.0 4,-2.7 1,-0.2 -1,-0.2 0.817 106.7 61.8 -59.7 -31.3 -11.3 57.6 58.3 88 89 A T H 3< S+ 0 0 60 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.907 112.0 37.5 -62.1 -39.8 -14.9 58.9 58.7 89 90 A Q H << S+ 0 0 19 -4,-1.3 -2,-0.2 -3,-0.6 -1,-0.2 0.752 120.3 45.9 -83.3 -25.4 -16.0 55.2 58.9 90 91 A L H >X S+ 0 0 0 -4,-1.9 3,-2.8 1,-0.2 4,-0.5 0.916 94.7 76.8 -81.6 -45.5 -13.1 53.9 60.9 91 92 A Q G >< S+ 0 0 41 -4,-2.7 3,-0.9 1,-0.3 -1,-0.2 0.693 84.0 61.5 -36.4 -42.8 -12.9 56.7 63.5 92 93 A P G 34 S+ 0 0 65 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.714 108.2 44.8 -67.3 -13.9 -15.9 55.6 65.6 93 94 A F G <4 S+ 0 0 47 -3,-2.8 -2,-0.2 -4,-0.1 2,-0.2 0.497 89.0 104.3-105.5 -5.2 -14.2 52.3 66.4 94 95 A L << + 0 0 6 -3,-0.9 -80,-0.1 -4,-0.5 -81,-0.1 -0.496 38.1 175.6 -77.1 147.1 -10.7 53.6 67.2 95 96 A K S S+ 0 0 79 -82,-0.3 -1,-0.1 -2,-0.2 4,-0.1 0.637 79.5 29.3-119.7 -33.5 -9.6 53.8 70.8 96 97 A L S S+ 0 0 22 1,-0.1 4,-0.2 2,-0.1 3,-0.1 0.709 132.6 29.1-101.4 -28.1 -6.0 55.0 70.7 97 98 A K S > S+ 0 0 30 -84,-0.1 4,-2.1 1,-0.1 5,-0.1 0.114 82.1 110.0-121.7 22.3 -5.9 57.0 67.5 98 99 A Q H > S+ 0 0 68 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.905 82.7 49.1 -64.5 -39.4 -9.5 58.3 67.4 99 100 A K H > S+ 0 0 146 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.924 109.2 51.4 -65.8 -43.7 -8.4 61.8 68.1 100 101 A Q H > S+ 0 0 8 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.912 110.2 50.7 -58.2 -43.4 -5.7 61.7 65.5 101 102 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.925 109.4 49.1 -60.1 -49.1 -8.2 60.6 62.9 102 103 A N H X S+ 0 0 63 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.828 109.1 53.0 -62.6 -33.1 -10.7 63.3 63.8 103 104 A L H X S+ 0 0 17 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.864 108.3 51.4 -70.5 -35.2 -7.9 65.9 63.5 104 105 A V H X S+ 0 0 3 -4,-1.8 4,-3.0 2,-0.2 -2,-0.2 0.934 108.7 49.5 -66.0 -44.8 -7.1 64.6 60.0 105 106 A L H X S+ 0 0 17 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.862 112.6 49.9 -60.6 -34.9 -10.7 64.8 58.9 106 107 A K H X S+ 0 0 81 -4,-1.6 4,-1.2 2,-0.2 -1,-0.2 0.893 110.8 48.0 -70.0 -43.0 -10.7 68.4 60.3 107 108 A I H >< S+ 0 0 1 -4,-2.4 3,-0.6 1,-0.2 4,-0.5 0.942 111.3 51.0 -63.3 -47.9 -7.5 69.3 58.4 108 109 A I H >< S+ 0 0 9 -4,-3.0 3,-1.0 1,-0.2 -2,-0.2 0.896 108.9 50.9 -55.9 -44.6 -8.8 67.8 55.2 109 110 A E H 3< S+ 0 0 107 -4,-1.9 -1,-0.2 1,-0.2 4,-0.2 0.763 114.0 45.0 -67.3 -25.1 -12.0 69.8 55.4 110 111 A Q T S+ 0 0 23 -3,-1.0 4,-1.1 -4,-0.5 -1,-0.1 0.909 81.7 51.9 -62.8 -44.2 -7.5 72.5 53.2 112 113 A P H 4 S+ 0 0 81 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.896 114.5 42.5 -61.0 -39.6 -9.3 74.6 50.6 113 114 A S H >> S+ 0 0 43 -4,-0.2 3,-0.7 1,-0.2 4,-0.6 0.684 109.4 59.8 -79.3 -18.1 -9.6 77.6 53.0 114 115 A A H 3< S+ 0 0 1 -4,-1.2 -1,-0.2 1,-0.2 -3,-0.1 0.678 88.0 73.2 -81.3 -18.8 -6.1 77.0 54.1 115 116 A K T 3< S+ 0 0 122 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.518 107.2 35.6 -72.7 -3.9 -4.8 77.6 50.6 116 117 A E T <4 S+ 0 0 118 -3,-0.7 -2,-0.1 1,-0.2 5,-0.1 0.624 99.6 57.2-109.8 -95.9 -5.6 81.3 51.1 117 118 A S >X - 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