==== 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 PROTEIN/DNA 22-APR-99 1CKQ . COMPND 2 MOLECULE: DNA (5'- . SOURCE 2 SYNTHETIC: YES; . AUTHOR M.HORVATH,J.M.ROSENBERG . 261 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13950.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 175 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 10.7 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 . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 22 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 67 25.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.5 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 1 1 0 0 0 0 2 1 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 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 PARALLEL BRIDGES PER LADDER . 2 1 1 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 3 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 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 17 A S 0 0 86 0, 0.0 2,-0.6 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0-168.6 54.0 26.0 5.8 2 18 A Q > - 0 0 129 3,-0.1 3,-2.1 4,-0.1 2,-0.1 -0.473 360.0 -64.5 -66.7 109.7 56.1 28.5 7.7 3 19 A G T >> S+ 0 0 52 -2,-0.6 3,-1.1 1,-0.3 4,-0.7 -0.263 126.1 9.8 54.5-118.0 57.4 27.0 10.9 4 20 A V H 3> S+ 0 0 44 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.697 118.6 72.9 -66.6 -22.2 54.5 26.2 13.3 5 21 A I H <> S+ 0 0 22 -3,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.814 97.2 50.3 -63.5 -28.9 51.9 26.9 10.6 6 22 A G H <> S+ 0 0 24 -3,-1.1 4,-1.4 -5,-0.3 -1,-0.2 0.831 109.6 50.2 -76.8 -33.0 52.9 23.6 9.0 7 23 A I H X S+ 0 0 123 -4,-0.7 4,-1.3 2,-0.2 -2,-0.2 0.896 111.4 47.1 -70.9 -42.7 52.5 21.8 12.3 8 24 A F H X S+ 0 0 39 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.841 110.6 54.6 -67.8 -33.4 49.1 23.2 12.9 9 25 A G H X S+ 0 0 0 -4,-1.3 4,-2.0 -5,-0.2 -1,-0.2 0.848 104.5 52.2 -68.8 -36.2 48.1 22.3 9.4 10 26 A D H X S+ 0 0 94 -4,-1.4 4,-2.1 1,-0.2 -1,-0.2 0.815 107.8 53.0 -69.3 -31.7 49.1 18.7 9.7 11 27 A Y H X S+ 0 0 128 -4,-1.3 4,-1.0 2,-0.2 -1,-0.2 0.830 108.5 50.1 -70.9 -34.7 46.9 18.4 12.9 12 28 A A H X>S+ 0 0 0 -4,-1.3 5,-1.4 2,-0.2 4,-1.1 0.909 113.5 45.5 -69.2 -41.8 44.0 19.8 10.9 13 29 A K H <5S+ 0 0 92 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.860 106.8 58.8 -69.4 -37.3 44.5 17.3 8.1 14 30 A A H <5S+ 0 0 74 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.788 119.9 28.4 -63.5 -29.5 45.0 14.3 10.5 15 31 A H H <5S- 0 0 109 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.474 98.2-132.3-110.4 -5.6 41.5 14.9 12.0 16 32 A D T <5 - 0 0 103 -4,-1.1 -3,-0.2 1,-0.1 -4,-0.1 0.943 34.9-155.9 49.6 56.0 39.8 16.4 9.0 17 33 A L < - 0 0 31 -5,-1.4 -1,-0.1 -6,-0.1 5,-0.0 -0.263 10.1-115.8 -64.5 144.5 38.4 19.2 11.2 18 34 A A > - 0 0 64 1,-0.1 4,-1.6 4,-0.0 3,-0.5 -0.281 35.7 -97.5 -73.7 166.1 35.2 21.1 10.2 19 35 A V H > S+ 0 0 12 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.866 125.1 53.0 -54.2 -39.6 35.3 24.8 9.4 20 36 A G H > S+ 0 0 8 55,-0.3 4,-1.0 1,-0.2 -1,-0.2 0.874 111.3 46.0 -64.8 -37.4 34.2 25.7 12.9 21 37 A E H > S+ 0 0 99 -3,-0.5 4,-1.0 1,-0.2 -1,-0.2 0.688 109.8 54.3 -77.5 -22.0 37.0 23.6 14.4 22 38 A V H X S+ 0 0 0 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.775 103.6 56.2 -80.7 -28.6 39.5 25.1 12.0 23 39 A S H X S+ 0 0 1 -4,-1.7 4,-1.2 -5,-0.2 -2,-0.2 0.846 106.2 50.3 -69.6 -34.6 38.5 28.6 13.2 24 40 A K H X S+ 0 0 77 -4,-1.0 4,-1.4 1,-0.2 -1,-0.2 0.850 108.7 52.7 -70.0 -34.4 39.3 27.6 16.7 25 41 A L H X S+ 0 0 13 -4,-1.0 4,-2.0 1,-0.2 -2,-0.2 0.824 104.1 56.4 -69.3 -33.6 42.7 26.3 15.5 26 42 A V H X S+ 0 0 0 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.859 104.3 52.8 -67.2 -34.7 43.4 29.6 13.8 27 43 A K H X S+ 0 0 57 -4,-1.2 4,-1.9 2,-0.2 -1,-0.2 0.880 108.7 50.1 -68.7 -36.2 42.9 31.4 17.2 28 44 A K H X S+ 0 0 117 -4,-1.4 4,-1.5 2,-0.2 -2,-0.2 0.906 111.0 48.7 -66.7 -42.4 45.4 29.1 18.8 29 45 A A H X S+ 0 0 1 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.876 111.9 49.3 -64.7 -38.7 48.0 29.8 16.1 30 46 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.836 109.4 51.2 -69.4 -35.4 47.4 33.5 16.4 31 47 A S H < S+ 0 0 45 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.806 111.1 50.3 -69.8 -29.9 47.9 33.3 20.2 32 48 A N H < S+ 0 0 92 -4,-1.5 -2,-0.2 1,-0.1 -1,-0.2 0.850 114.9 40.9 -75.8 -38.8 51.1 31.4 19.6 33 49 A E H < S+ 0 0 61 -4,-1.9 -2,-0.2 1,-0.3 -3,-0.2 0.826 126.9 33.2 -79.4 -35.4 52.5 34.0 17.1 34 50 A Y >< + 0 0 62 -4,-2.3 3,-1.0 -5,-0.2 -1,-0.3 -0.779 63.7 165.1-123.6 83.1 51.3 37.0 19.0 35 51 A P T 3 S+ 0 0 87 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.753 75.9 63.5 -69.7 -22.0 51.5 36.2 22.7 36 52 A Q T 3 S+ 0 0 65 -3,-0.1 2,-0.3 225,-0.1 223,-0.1 0.615 96.6 73.2 -76.7 -13.2 51.2 39.9 23.6 37 53 A L S < S- 0 0 11 -3,-1.0 2,-0.5 -7,-0.2 -3,-0.1 -0.720 76.0-131.7-105.0 155.4 47.7 40.0 22.1 38 54 A S - 0 0 40 44,-0.4 44,-1.6 -2,-0.3 2,-0.3 -0.910 25.9-178.3-109.5 125.2 44.4 38.6 23.3 39 55 A F E -A 81 0A 22 -2,-0.5 2,-0.3 42,-0.2 42,-0.2 -0.840 3.8-177.8-120.8 157.8 42.2 36.5 21.0 40 56 A R E -A 80 0A 83 40,-1.6 40,-2.3 -2,-0.3 2,-0.4 -0.988 18.9-134.8-152.4 154.7 38.8 34.8 21.4 41 57 A Y E -A 79 0A 46 -2,-0.3 2,-0.4 38,-0.2 38,-0.2 -0.933 19.4-173.8-115.1 138.3 36.3 32.7 19.4 42 58 A R E -A 78 0A 38 36,-2.8 36,-2.9 -2,-0.4 3,-0.1 -0.982 18.2-162.3-132.8 139.5 32.6 33.3 19.2 43 59 A D S S+ 0 0 92 -2,-0.4 2,-0.3 34,-0.2 34,-0.2 0.532 74.8 27.0 -98.1 -6.4 30.0 31.1 17.6 44 60 A S - 0 0 29 29,-0.1 2,-0.4 34,-0.1 29,-0.2 -0.991 51.8-159.0-155.0 157.4 27.2 33.8 17.4 45 61 A I E -E 72 0B 1 27,-1.6 27,-1.7 -2,-0.3 2,-0.1 -0.967 25.4-136.3-139.0 117.8 26.5 37.5 17.2 46 62 A K E >> -E 71 0B 96 -2,-0.4 3,-1.2 25,-0.2 4,-1.2 -0.397 20.7-117.6 -76.0 153.5 23.1 38.9 18.2 47 63 A K H 3> S+ 0 0 44 23,-2.7 4,-2.3 1,-0.3 5,-0.2 0.724 111.8 66.4 -60.9 -23.2 21.2 41.5 16.2 48 64 A T H 3> S+ 0 0 56 22,-0.4 4,-1.5 1,-0.2 -1,-0.3 0.817 100.1 50.8 -68.3 -31.1 21.4 43.9 19.1 49 65 A E H <> S+ 0 0 62 -3,-1.2 4,-1.9 2,-0.2 -2,-0.2 0.903 110.0 48.5 -70.8 -44.7 25.2 44.1 18.6 50 66 A I H X S+ 0 0 2 -4,-1.2 4,-1.9 1,-0.2 -2,-0.2 0.927 111.9 49.5 -62.1 -44.6 25.0 44.8 14.9 51 67 A N H X S+ 0 0 17 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.851 107.8 54.1 -63.4 -35.7 22.4 47.5 15.5 52 68 A E H X S+ 0 0 106 -4,-1.5 4,-1.1 1,-0.2 -1,-0.2 0.907 110.0 47.0 -65.5 -40.7 24.6 49.1 18.2 53 69 A A H X S+ 0 0 21 -4,-1.9 4,-0.7 1,-0.2 -2,-0.2 0.838 110.8 52.6 -68.8 -33.9 27.5 49.3 15.7 54 70 A L H X S+ 0 0 16 -4,-1.9 4,-1.7 1,-0.2 3,-0.4 0.827 105.1 55.2 -71.2 -33.4 25.2 50.7 13.0 55 71 A K H < S+ 0 0 88 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.804 99.9 59.7 -70.0 -31.0 24.0 53.5 15.3 56 72 A K H < S+ 0 0 166 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.766 108.1 46.2 -67.4 -27.9 27.6 54.6 16.0 57 73 A I H < S- 0 0 75 -4,-0.7 -2,-0.2 -3,-0.4 -1,-0.2 0.907 135.1 -2.8 -79.8 -48.0 28.1 55.3 12.3 58 74 A D >< - 0 0 63 -4,-1.7 3,-1.7 3,-0.1 -1,-0.4 -0.976 63.3-135.1-148.3 131.4 24.8 57.1 11.7 59 75 A P T 3 S+ 0 0 108 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.702 104.7 57.5 -60.3 -21.6 22.0 57.8 14.3 60 76 A D T 3 S+ 0 0 142 -6,-0.1 3,-0.4 -5,-0.0 2,-0.3 0.372 92.8 89.9 -92.2 4.5 19.3 56.8 11.8 61 77 A L S < S+ 0 0 65 -3,-1.7 -3,-0.1 -7,-0.3 -4,-0.0 -0.733 80.8 22.6-104.1 151.0 20.8 53.3 11.3 62 78 A G S S+ 0 0 13 -2,-0.3 -1,-0.2 -8,-0.1 -7,-0.2 0.809 75.6 134.2 68.5 32.8 20.1 50.1 13.1 63 79 A G + 0 0 64 -3,-0.4 2,-0.4 -9,-0.1 -1,-0.1 -0.072 45.6 84.4-104.8 35.3 16.7 51.2 14.4 64 80 A T + 0 0 84 0, 0.0 2,-0.2 0, 0.0 -13,-0.1 -0.995 37.1 148.0-141.0 132.3 14.8 48.0 13.6 65 81 A L + 0 0 66 -2,-0.4 3,-0.2 1,-0.1 4,-0.0 -0.773 10.3 173.5-164.6 111.8 14.3 44.8 15.6 66 82 A F S S+ 0 0 186 1,-0.3 2,-0.6 -2,-0.2 3,-0.1 0.827 79.7 42.3 -90.5 -38.6 11.2 42.6 15.5 67 83 A V S > S- 0 0 85 1,-0.1 3,-1.6 0, 0.0 -1,-0.3 -0.931 78.9-146.9-115.1 104.4 12.4 39.6 17.6 68 84 A S T 3 S+ 0 0 92 -2,-0.6 -20,-0.2 1,-0.3 -1,-0.1 0.757 93.8 41.6 -36.7 -47.7 14.4 40.9 20.6 69 85 A N T 3 S+ 0 0 131 -22,-0.1 -1,-0.3 -3,-0.1 2,-0.1 -0.212 80.7 144.2-103.4 43.7 16.9 37.9 20.7 70 86 A S < + 0 0 35 -3,-1.6 -23,-2.7 -2,-0.1 -22,-0.4 -0.456 21.0 159.4 -76.1 153.7 17.5 37.5 16.9 71 87 A S E -E 46 0B 61 -25,-0.3 2,-0.4 -24,-0.1 -25,-0.2 -0.943 35.3-115.8-161.7 178.7 21.0 36.5 15.9 72 88 A I E -E 45 0B 4 -27,-1.7 -27,-1.6 -2,-0.3 -2,-0.0 -0.989 14.7-165.1-130.8 139.4 23.3 35.0 13.2 73 89 A K - 0 0 145 -2,-0.4 2,-0.3 -29,-0.2 -29,-0.1 -0.782 4.3-164.7-126.7 86.5 25.3 31.8 13.5 74 90 A P > - 0 0 3 0, 0.0 3,-1.9 0, 0.0 20,-0.1 -0.561 26.6-129.9 -68.9 132.6 28.0 31.4 10.8 75 91 A D T 3 S+ 0 0 73 1,-0.3 -55,-0.3 -2,-0.3 20,-0.2 0.642 107.3 52.2 -60.6 -11.8 29.0 27.7 10.9 76 92 A G T 3 S- 0 0 0 18,-1.6 -1,-0.3 1,-0.2 19,-0.2 0.539 101.5-145.8 -98.9 -10.1 32.7 28.8 11.0 77 93 A G < - 0 0 2 -3,-1.9 17,-1.2 17,-0.3 2,-0.3 -0.285 20.8 -75.6 78.5-164.2 32.2 31.2 14.0 78 94 A I E -AB 42 93A 0 -36,-2.9 -36,-2.8 15,-0.2 2,-0.4 -0.996 29.2-154.7-140.5 139.0 34.1 34.4 14.5 79 95 A V E -AB 41 92A 0 13,-2.5 12,-2.9 -2,-0.3 13,-1.6 -0.940 20.1-177.6-114.7 137.7 37.6 35.2 15.7 80 96 A E E -AB 40 90A 4 -40,-2.3 -40,-1.6 -2,-0.4 2,-0.3 -0.919 16.5-153.4-135.4 161.3 38.4 38.6 17.4 81 97 A V E -AB 39 89A 0 8,-2.0 8,-2.9 -2,-0.3 2,-0.5 -0.945 22.7-121.9-131.5 148.9 41.3 40.5 18.9 82 98 A K E - B 0 88A 55 -44,-1.6 -44,-0.4 -2,-0.3 6,-0.2 -0.825 28.5-151.8 -95.2 127.8 41.4 43.2 21.6 83 99 A D > - 0 0 6 4,-2.4 3,-1.6 -2,-0.5 171,-0.2 -0.203 36.9 -86.2 -86.4-174.9 42.8 46.5 20.6 84 100 A D T 3 S+ 0 0 47 169,-2.4 170,-0.1 1,-0.3 -1,-0.1 0.552 126.0 58.1 -69.2 -8.4 44.6 49.2 22.7 85 101 A Y T 3 S- 0 0 174 168,-0.3 -1,-0.3 2,-0.2 3,-0.1 0.284 117.2-108.9-104.1 7.4 41.2 50.7 23.6 86 102 A G S < S+ 0 0 44 -3,-1.6 2,-0.3 1,-0.3 -2,-0.1 0.526 78.1 127.7 79.1 5.3 39.8 47.5 25.1 87 103 A E - 0 0 117 1,-0.0 -4,-2.4 2,-0.0 2,-0.4 -0.734 60.2-118.9 -98.7 146.1 37.4 46.9 22.3 88 104 A W E -B 82 0A 65 -2,-0.3 2,-0.5 -6,-0.2 -6,-0.2 -0.679 25.6-166.2 -86.0 130.8 37.1 43.6 20.3 89 105 A R E -B 81 0A 38 -8,-2.9 -8,-2.0 -2,-0.4 2,-0.2 -0.973 24.8-116.3-118.8 127.0 37.8 43.8 16.5 90 106 A V E +B 80 0A 7 -2,-0.5 -10,-0.3 -10,-0.2 3,-0.1 -0.415 32.5 173.0 -67.5 129.9 36.8 40.9 14.2 91 107 A V E + 0 0 0 -12,-2.9 2,-0.3 1,-0.3 155,-0.3 0.604 65.6 13.1-107.6 -22.3 39.7 39.2 12.5 92 108 A L E -B 79 0A 1 -13,-1.6 -13,-2.5 154,-0.1 2,-0.4 -0.958 45.4-179.7-163.1 140.1 37.9 36.3 10.8 93 109 A V E -Bc 78 149A 1 55,-2.0 57,-2.8 -2,-0.3 2,-0.3 -0.966 21.6-169.5-139.4 116.6 34.4 35.0 9.9 94 110 A A E + c 0 150A 0 -17,-1.2 -18,-1.6 -2,-0.4 -17,-0.3 -0.823 10.3 174.9-114.2 154.2 34.2 31.7 8.1 95 111 A E E - c 0 151A 8 55,-1.7 57,-2.4 -2,-0.3 2,-0.4 -0.989 11.5-161.0-152.7 146.1 31.4 29.8 6.4 96 112 A A E - c 0 152A 17 -2,-0.3 2,-0.3 55,-0.2 57,-0.2 -0.982 11.8-175.0-136.2 122.6 31.1 26.5 4.4 97 113 A K E - c 0 153A 33 55,-2.7 57,-0.8 -2,-0.4 2,-0.4 -0.850 7.0-159.6-118.0 154.5 28.3 25.6 2.0 98 114 A H E + c 0 154A 127 -2,-0.3 2,-0.3 55,-0.2 57,-0.2 -0.985 17.3 157.5-133.8 141.6 27.4 22.5 0.0 99 115 A Q + 0 0 29 55,-1.9 58,-1.6 -2,-0.4 59,-0.2 -0.881 41.3 47.4-165.2 132.9 25.2 22.0 -3.0 100 116 A G - 0 0 27 -2,-0.3 56,-1.5 55,-0.2 -1,-0.3 0.604 38.2-169.0 101.3 106.8 24.9 19.5 -5.8 101 117 A K > + 0 0 136 54,-0.2 4,-1.5 1,-0.1 5,-0.1 -0.083 54.4 113.1-115.1 34.0 24.9 15.7 -5.3 102 118 A D H > S+ 0 0 3 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.872 73.4 54.7 -73.0 -39.6 25.3 14.7 -8.9 103 119 A I H > S+ 0 0 30 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.887 110.5 47.8 -62.3 -37.0 28.8 13.2 -8.5 104 120 A I H > S+ 0 0 106 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.869 112.1 49.6 -71.3 -37.1 27.5 11.0 -5.7 105 121 A N H ><>S+ 0 0 11 -4,-1.5 5,-1.4 1,-0.2 3,-0.7 0.926 113.9 42.8 -68.3 -46.7 24.5 9.9 -7.8 106 122 A I H 3<5S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.612 101.2 68.6 -77.2 -12.6 26.4 9.0 -10.9 107 123 A R H 3<5S+ 0 0 136 -4,-0.9 -1,-0.2 -5,-0.2 -2,-0.2 0.769 112.7 37.4 -71.2 -26.1 29.1 7.2 -8.9 108 124 A N T <<5S- 0 0 88 -3,-0.7 61,-0.1 -4,-0.6 -3,-0.0 -0.458 106.9 -97.5-108.9-176.2 26.3 4.8 -8.2 109 125 A G T 5S+ 0 0 42 -2,-0.2 2,-0.4 58,-0.1 -3,-0.1 -0.066 73.3 138.0 -98.0 35.1 23.6 3.7 -10.7 110 126 A L < - 0 0 90 -5,-1.4 2,-0.5 -6,-0.2 -2,-0.1 -0.692 36.3-163.0 -88.6 126.8 21.0 6.2 -9.4 111 127 A L - 0 0 59 -2,-0.4 8,-0.2 5,-0.1 2,-0.1 -0.928 12.0-162.9-107.9 127.6 18.8 8.1 -11.9 112 128 A V B > +F 118 0C 21 6,-2.3 6,-2.5 -2,-0.5 5,-1.0 -0.393 35.6 82.5-101.7-179.0 17.1 11.2 -10.6 113 129 A G T 5S- 0 0 28 3,-0.2 3,-0.2 4,-0.2 8,-0.1 -0.250 88.8 -71.2 108.0 163.1 14.2 13.3 -11.8 114 130 A K T 5S+ 0 0 179 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.0 0.808 138.0 37.4 -61.0 -29.9 10.4 13.1 -11.6 115 131 A R T 5S- 0 0 192 -3,-0.2 -1,-0.2 0, 0.0 -2,-0.1 0.591 110.3-122.8 -96.0 -15.3 10.5 10.1 -14.0 116 132 A G T 5S+ 0 0 40 -3,-0.2 -3,-0.2 -4,-0.1 -5,-0.1 0.933 84.0 100.8 72.0 50.2 13.7 8.6 -12.6 117 133 A D < + 0 0 73 -5,-1.0 2,-0.3 -7,-0.1 -4,-0.2 0.341 47.8 103.9-143.4 0.9 15.7 8.6 -15.8 118 134 A Q B -F 112 0C 60 -6,-2.5 -6,-2.3 1,-0.1 3,-0.0 -0.698 53.0-154.8 -93.4 142.2 18.0 11.7 -15.6 119 135 A D S S+ 0 0 44 -2,-0.3 2,-0.3 -8,-0.2 -1,-0.1 0.817 83.2 42.8 -80.0 -32.2 21.7 11.4 -14.9 120 136 A L S S- 0 0 44 -8,-0.1 2,-0.4 -15,-0.1 -1,-0.0 -0.812 74.8-134.3-117.4 156.0 21.7 15.0 -13.5 121 137 A M - 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