==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 21-FEB-07 2OXV . COMPND 2 MOLECULE: TYPE II RESTRICTION ENZYME ECORI; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR P.J.SAPIENZA,J.M.ROSENBERG,L.JEN-JACOBSON . 261 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13708.0 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 . 19 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 66 25.3 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 3 0 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 0 123 0, 0.0 2,-2.5 0, 0.0 6,-0.0 0.000 360.0 360.0 360.0 -16.3 54.2 24.5 6.1 2 18 A Q > - 0 0 123 2,-0.1 3,-1.7 4,-0.0 2,-0.4 -0.452 360.0 -81.8 -72.6 74.1 55.0 28.0 7.4 3 19 A G T >> S+ 0 0 47 -2,-2.5 4,-1.0 1,-0.3 3,-0.8 -0.473 117.4 8.6 67.5-120.8 56.4 26.8 10.7 4 20 A V H 3> S+ 0 0 42 -2,-0.4 4,-2.9 1,-0.2 5,-0.3 0.787 122.9 69.8 -63.1 -28.8 53.6 26.0 13.2 5 21 A I H <> S+ 0 0 19 -3,-1.7 4,-2.5 1,-0.2 -1,-0.2 0.900 96.6 52.5 -56.3 -40.5 51.1 26.5 10.4 6 22 A G H <> S+ 0 0 18 -3,-0.8 4,-1.6 2,-0.2 -1,-0.2 0.911 111.6 46.8 -61.1 -42.0 52.3 23.3 8.8 7 23 A I H X S+ 0 0 120 -4,-1.0 4,-1.8 2,-0.2 3,-0.2 0.937 113.0 45.3 -66.2 -51.8 51.8 21.5 12.1 8 24 A F H X S+ 0 0 38 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.921 111.5 56.8 -59.0 -42.1 48.3 22.8 12.9 9 25 A G H X S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.3 -1,-0.2 0.848 104.6 49.4 -57.7 -39.1 47.5 22.0 9.3 10 26 A D H X S+ 0 0 105 -4,-1.6 4,-3.1 -3,-0.2 -1,-0.2 0.871 109.1 53.9 -68.8 -36.5 48.4 18.4 9.6 11 27 A Y H X S+ 0 0 126 -4,-1.8 4,-1.3 2,-0.2 -2,-0.2 0.923 108.5 48.8 -62.6 -44.7 46.3 18.1 12.7 12 28 A A H <>S+ 0 0 0 -4,-2.4 5,-1.6 1,-0.2 3,-0.4 0.927 113.8 46.2 -62.6 -44.1 43.3 19.5 10.8 13 29 A K H ><5S+ 0 0 108 -4,-2.2 3,-1.5 1,-0.2 -2,-0.2 0.942 108.2 56.4 -63.2 -45.6 43.9 17.0 8.0 14 30 A A H 3<5S+ 0 0 69 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.762 117.6 34.8 -58.1 -25.9 44.4 14.1 10.4 15 31 A H T 3<5S- 0 0 107 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.286 98.6-131.7-113.6 11.6 41.0 14.8 12.0 16 32 A D T < 5 - 0 0 110 -3,-1.5 -3,-0.2 -4,-0.4 -4,-0.1 0.871 37.9-153.1 37.3 47.8 39.1 15.9 8.9 17 33 A L < - 0 0 24 -5,-1.6 -1,-0.1 -6,-0.2 2,-0.1 -0.123 8.2-119.1 -52.7 139.6 38.0 18.9 11.0 18 34 A A >> - 0 0 63 -3,-0.1 4,-2.3 1,-0.1 3,-0.6 -0.386 35.4 -99.6 -74.7 160.2 34.6 20.6 10.2 19 35 A V H 3> S+ 0 0 11 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.876 124.4 53.4 -51.6 -40.6 34.8 24.3 9.2 20 36 A G H 3> S+ 0 0 11 55,-0.3 4,-1.4 1,-0.2 -1,-0.3 0.881 110.1 46.5 -63.1 -39.5 33.8 25.3 12.7 21 37 A E H <> S+ 0 0 95 -3,-0.6 4,-1.7 1,-0.2 -1,-0.2 0.835 108.7 56.6 -72.3 -28.7 36.5 23.2 14.3 22 38 A V H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.903 103.5 53.9 -68.0 -37.8 38.9 24.7 11.8 23 39 A S H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.903 107.4 50.2 -61.3 -38.7 38.0 28.2 13.0 24 40 A K H X S+ 0 0 72 -4,-1.4 4,-2.0 1,-0.2 -1,-0.2 0.862 109.6 51.9 -66.6 -32.6 38.8 27.1 16.6 25 41 A L H X S+ 0 0 11 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.884 107.4 51.9 -69.6 -40.2 42.1 25.8 15.3 26 42 A V H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.904 107.8 52.6 -62.6 -41.9 42.8 29.2 13.6 27 43 A K H X S+ 0 0 52 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.941 111.0 46.6 -58.0 -48.3 42.1 30.9 16.9 28 44 A K H X S+ 0 0 134 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.890 112.2 50.1 -61.6 -40.2 44.6 28.7 18.7 29 45 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.891 110.0 51.2 -66.9 -38.7 47.2 29.2 16.0 30 46 A L H X S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.2 -2,-0.2 0.910 108.5 50.7 -64.4 -42.5 46.7 33.0 16.2 31 47 A S H < S+ 0 0 41 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.858 110.8 50.6 -62.9 -34.0 47.2 32.9 20.0 32 48 A N H < S+ 0 0 96 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.921 114.4 42.1 -68.8 -46.6 50.4 30.9 19.4 33 49 A E H < S+ 0 0 69 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.868 126.9 32.9 -68.3 -40.0 51.7 33.4 16.8 34 50 A Y >< + 0 0 62 -4,-3.1 3,-1.4 -5,-0.2 -1,-0.3 -0.689 65.0 167.9-121.5 78.5 50.7 36.4 18.8 35 51 A P T 3 S+ 0 0 77 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.727 77.4 59.8 -61.7 -22.2 50.9 35.6 22.6 36 52 A Q T 3 S+ 0 0 65 -3,-0.1 2,-0.2 2,-0.0 -5,-0.1 0.677 97.0 72.8 -81.5 -18.0 50.5 39.2 23.5 37 53 A L S < S- 0 0 12 -3,-1.4 2,-0.5 -7,-0.2 46,-0.1 -0.584 76.8-130.1 -96.4 160.6 47.1 39.5 21.8 38 54 A S - 0 0 46 44,-0.4 44,-2.2 -2,-0.2 2,-0.3 -0.941 26.2-178.1-113.9 125.5 43.8 38.0 23.0 39 55 A F E -A 81 0A 19 -2,-0.5 2,-0.3 42,-0.2 42,-0.2 -0.834 2.5-175.6-119.2 159.3 41.6 36.0 20.6 40 56 A R E -A 80 0A 72 40,-1.8 40,-2.4 -2,-0.3 2,-0.4 -0.987 17.5-138.1-152.1 156.0 38.2 34.3 21.0 41 57 A Y E -A 79 0A 48 -2,-0.3 2,-0.4 38,-0.2 38,-0.2 -0.937 19.4-179.0-117.1 142.3 35.8 32.1 19.1 42 58 A R E -A 78 0A 46 36,-2.4 36,-2.9 -2,-0.4 3,-0.1 -0.989 21.1-155.9-140.0 141.4 32.1 32.7 19.0 43 59 A D S S+ 0 0 98 -2,-0.4 2,-0.3 34,-0.2 34,-0.3 0.543 75.6 22.1 -98.7 -5.9 29.5 30.6 17.2 44 60 A S - 0 0 23 29,-0.2 2,-0.4 34,-0.1 29,-0.2 -0.993 54.1-150.0-156.7 163.2 26.9 33.3 17.0 45 61 A I E -E 72 0B 1 27,-2.0 27,-2.2 -2,-0.3 2,-0.1 -0.996 26.6-127.2-136.6 129.1 26.0 36.9 17.0 46 62 A K E >> -E 71 0B 68 -2,-0.4 4,-1.5 25,-0.2 3,-0.8 -0.451 18.1-124.9 -76.6 145.5 22.7 38.4 18.2 47 63 A K H 3> S+ 0 0 51 23,-3.0 4,-2.4 1,-0.3 24,-0.2 0.755 112.5 61.9 -60.6 -23.0 20.8 40.7 15.9 48 64 A T H 3> S+ 0 0 70 22,-0.5 4,-2.1 2,-0.2 -1,-0.3 0.888 101.0 52.7 -69.5 -36.5 20.9 43.3 18.8 49 65 A E H <> S+ 0 0 60 -3,-0.8 4,-1.8 2,-0.2 -2,-0.2 0.896 110.1 47.4 -63.7 -41.4 24.7 43.3 18.5 50 66 A I H X S+ 0 0 1 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.935 110.4 52.0 -65.9 -46.5 24.5 44.0 14.8 51 67 A N H X S+ 0 0 11 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.890 108.6 51.0 -57.0 -40.3 21.9 46.8 15.3 52 68 A E H X S+ 0 0 100 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.885 109.8 49.2 -66.0 -39.2 24.2 48.4 17.9 53 69 A A H X S+ 0 0 22 -4,-1.8 4,-0.6 1,-0.2 -1,-0.2 0.895 112.3 49.7 -66.9 -36.0 27.1 48.3 15.5 54 70 A L H >X S+ 0 0 16 -4,-2.5 4,-1.8 1,-0.2 3,-1.1 0.899 105.7 55.7 -69.4 -41.2 24.9 49.9 12.8 55 71 A K H 3< S+ 0 0 89 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.871 99.9 59.8 -60.4 -36.1 23.7 52.6 15.1 56 72 A K H 3< S+ 0 0 165 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.775 105.8 50.3 -62.3 -24.6 27.2 53.7 15.8 57 73 A I H << S- 0 0 72 -3,-1.1 -2,-0.2 -4,-0.6 -1,-0.2 0.920 136.6 -15.1 -77.4 -46.8 27.5 54.3 12.0 58 74 A D >< - 0 0 64 -4,-1.8 3,-2.3 3,-0.1 -1,-0.3 -0.894 61.8-126.8-162.4 126.9 24.4 56.4 11.7 59 75 A P T 3 S+ 0 0 109 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.675 107.5 58.2 -49.6 -26.1 21.5 56.8 14.3 60 76 A D T 3 S+ 0 0 137 -6,-0.1 3,-0.5 -5,-0.1 2,-0.2 0.545 92.3 86.4 -84.1 -9.8 18.8 55.9 11.7 61 77 A L S < S+ 0 0 64 -3,-2.3 -3,-0.1 -7,-0.3 -4,-0.0 -0.553 84.4 24.4 -90.2 157.6 20.4 52.5 10.9 62 78 A G S S+ 0 0 13 -2,-0.2 -1,-0.2 -8,-0.1 -7,-0.2 0.802 76.4 133.4 61.6 33.9 19.7 49.3 12.9 63 79 A G + 0 0 67 -3,-0.5 2,-0.3 -9,-0.1 -1,-0.1 0.601 45.4 82.9 -91.2 -11.3 16.3 50.4 14.1 64 80 A T + 0 0 92 -13,-0.0 2,-0.2 2,-0.0 -13,-0.1 -0.749 37.8 150.8-101.3 143.4 14.3 47.2 13.3 65 81 A L + 0 0 65 -2,-0.3 3,-0.2 1,-0.0 4,-0.0 -0.677 6.4 169.9-166.7 104.7 14.0 44.0 15.5 66 82 A F S S+ 0 0 183 1,-0.3 2,-0.7 -2,-0.2 3,-0.1 0.861 78.3 41.8 -89.1 -42.8 10.9 41.9 15.3 67 83 A V S > S- 0 0 99 1,-0.1 3,-2.0 0, 0.0 -1,-0.3 -0.939 79.7-150.8-107.7 111.2 12.1 38.8 17.2 68 84 A S T 3 S+ 0 0 97 -2,-0.7 -20,-0.2 1,-0.3 -1,-0.1 0.812 93.0 44.1 -51.0 -42.9 14.0 40.2 20.2 69 85 A N T 3 S+ 0 0 117 -22,-0.1 -1,-0.3 -3,-0.1 2,-0.0 -0.043 83.9 141.5 -94.6 29.4 16.3 37.2 20.5 70 86 A S < + 0 0 31 -3,-2.0 -23,-3.0 -24,-0.1 -22,-0.5 -0.364 22.3 156.5 -70.7 153.7 17.0 36.9 16.8 71 87 A S E -E 46 0B 36 -25,-0.3 2,-0.4 -24,-0.2 -25,-0.2 -0.960 37.1-114.5-161.4 177.9 20.5 36.0 15.7 72 88 A I E -E 45 0B 4 -27,-2.2 -27,-2.0 -2,-0.3 0, 0.0 -0.962 15.1-166.1-127.3 147.1 22.9 34.5 13.0 73 89 A K - 0 0 121 -2,-0.4 -29,-0.2 -29,-0.2 -30,-0.0 -0.659 7.4-159.7-136.0 78.0 24.9 31.4 13.3 74 90 A P > - 0 0 4 0, 0.0 3,-2.1 0, 0.0 20,-0.1 -0.350 24.8-130.0 -55.0 130.8 27.6 31.0 10.6 75 91 A D T 3 S+ 0 0 74 1,-0.3 -55,-0.3 21,-0.1 20,-0.2 0.733 109.1 48.6 -63.5 -16.1 28.4 27.3 10.6 76 92 A G T 3 S- 0 0 0 18,-1.7 -1,-0.3 1,-0.3 19,-0.2 0.461 104.9-145.5 -98.3 -2.9 32.1 28.2 10.8 77 93 A G < - 0 0 0 -3,-2.1 17,-1.4 -34,-0.3 2,-0.3 -0.219 20.5 -74.0 73.4-163.5 31.6 30.6 13.6 78 94 A I E -AB 42 93A 0 -36,-2.9 -36,-2.4 15,-0.2 2,-0.4 -0.991 28.9-156.4-139.1 140.2 33.5 33.9 14.2 79 95 A V E +AB 41 92A 0 13,-3.0 12,-3.0 -2,-0.3 13,-1.7 -0.974 19.7 179.4-119.3 134.9 37.0 34.7 15.5 80 96 A E E -AB 40 90A 2 -40,-2.4 -40,-1.8 -2,-0.4 2,-0.3 -0.885 17.4-147.9-131.7 161.9 37.8 38.0 17.0 81 97 A V E -AB 39 89A 0 8,-2.6 8,-3.0 -2,-0.3 2,-0.4 -0.964 23.3-119.2-129.1 146.9 40.7 39.9 18.6 82 98 A K E - B 0 88A 72 -44,-2.2 -44,-0.4 -2,-0.3 6,-0.2 -0.730 31.2-147.1 -86.5 129.7 40.7 42.4 21.3 83 99 A D > - 0 0 6 4,-2.8 3,-2.1 -2,-0.4 171,-0.2 -0.291 33.2 -91.5 -89.6 177.9 42.1 45.8 20.3 84 100 A D T 3 S+ 0 0 43 169,-2.6 170,-0.1 1,-0.3 -1,-0.1 0.693 126.7 57.0 -61.2 -17.1 44.1 48.4 22.3 85 101 A Y T 3 S- 0 0 170 168,-0.3 -1,-0.3 2,-0.2 3,-0.1 0.492 118.9-109.4 -92.2 -4.7 40.7 50.0 23.2 86 102 A G S < S+ 0 0 39 -3,-2.1 2,-0.3 1,-0.3 -2,-0.1 0.442 77.0 132.0 89.9 0.2 39.3 46.8 24.7 87 103 A E - 0 0 124 1,-0.0 -4,-2.8 -5,-0.0 2,-0.5 -0.622 59.0-120.4 -87.3 143.3 36.9 46.3 21.8 88 104 A W E -B 82 0A 84 -2,-0.3 2,-0.4 -6,-0.2 -6,-0.2 -0.722 28.3-165.6 -87.1 128.6 36.5 43.0 20.0 89 105 A R E -B 81 0A 35 -8,-3.0 -8,-2.6 -2,-0.5 2,-0.3 -0.943 22.7-116.5-117.7 132.5 37.2 43.1 16.3 90 106 A V E +B 80 0A 4 -2,-0.4 -10,-0.3 -10,-0.2 3,-0.1 -0.491 33.9 169.3 -69.3 126.9 36.3 40.4 13.8 91 107 A V E + 0 0 0 -12,-3.0 155,-0.3 1,-0.3 2,-0.3 0.569 68.1 10.1-110.4 -14.9 39.3 38.7 12.2 92 108 A L E -B 79 0A 0 -13,-1.7 -13,-3.0 154,-0.1 2,-0.4 -0.909 45.8-179.3-167.7 136.1 37.4 35.8 10.5 93 109 A V E -Bc 78 149A 0 55,-2.3 57,-2.9 -2,-0.3 2,-0.4 -0.990 22.9-168.8-133.7 123.1 33.9 34.5 9.8 94 110 A A E + c 0 150A 0 -17,-1.4 -18,-1.7 -2,-0.4 2,-0.3 -0.917 11.0 176.3-121.1 146.7 33.7 31.2 8.0 95 111 A E E - c 0 151A 5 55,-2.1 57,-2.9 -2,-0.4 2,-0.4 -0.996 10.2-163.6-145.9 138.0 30.9 29.3 6.3 96 112 A A E - c 0 152A 17 -2,-0.3 2,-0.3 55,-0.2 57,-0.2 -0.995 13.4-176.9-126.7 129.0 30.8 26.0 4.3 97 113 A K E - c 0 153A 35 55,-2.8 57,-1.0 -2,-0.4 2,-0.3 -0.891 8.8-154.9-124.7 156.8 27.8 25.1 2.1 98 114 A H E + c 0 154A 121 -2,-0.3 2,-0.2 55,-0.2 57,-0.2 -0.953 18.7 156.4-131.7 149.1 26.9 22.1 -0.0 99 115 A Q + 0 0 31 55,-1.7 58,-1.8 -2,-0.3 59,-0.3 -0.826 41.0 52.0-171.3 134.1 24.8 21.5 -3.1 100 116 A G - 0 0 24 -2,-0.2 56,-1.3 56,-0.2 -1,-0.3 0.555 37.7-168.8 104.0 109.3 24.6 18.9 -5.9 101 117 A K >> + 0 0 146 54,-0.2 4,-2.5 1,-0.1 3,-0.8 0.249 56.6 110.2-108.8 8.7 24.4 15.2 -5.3 102 118 A D H 3> S+ 0 0 2 1,-0.3 4,-3.0 2,-0.2 5,-0.3 0.892 73.8 54.6 -52.1 -50.1 25.0 14.1 -8.9 103 119 A I H 3> S+ 0 0 14 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.828 113.9 43.7 -55.6 -32.4 28.5 12.7 -8.4 104 120 A I H <> S+ 0 0 102 -3,-0.8 4,-1.0 2,-0.2 -1,-0.2 0.870 113.0 50.5 -80.6 -38.2 27.0 10.5 -5.6 105 121 A N H <>S+ 0 0 13 -4,-2.5 5,-3.2 2,-0.2 -2,-0.2 0.868 112.9 46.6 -66.2 -39.3 24.0 9.5 -7.7 106 122 A I H ><5S+ 0 0 4 -4,-3.0 3,-3.1 3,-0.2 -2,-0.2 0.962 108.5 53.4 -68.0 -52.0 26.1 8.6 -10.7 107 123 A R H 3<5S+ 0 0 95 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.767 114.2 45.9 -52.7 -27.3 28.6 6.5 -8.6 108 124 A N T 3<5S- 0 0 111 -4,-1.0 -1,-0.3 2,-0.1 -2,-0.2 0.337 109.6-125.7 -98.0 4.0 25.5 4.7 -7.3 109 125 A G T < 5 + 0 0 19 -3,-3.1 2,-0.7 1,-0.2 -3,-0.2 0.835 57.1 153.9 54.0 33.5 24.0 4.3 -10.8 110 126 A L < - 0 0 96 -5,-3.2 -1,-0.2 -6,-0.1 -2,-0.1 -0.846 34.0-149.5 -99.9 108.4 20.9 6.0 -9.4 111 127 A L - 0 0 59 -2,-0.7 2,-0.2 5,-0.2 8,-0.2 -0.384 18.7-163.4 -71.5 154.2 18.8 7.7 -12.0 112 128 A V B > +F 118 0C 18 6,-2.7 6,-2.6 8,-0.1 5,-0.9 -0.765 33.1 80.7-133.1 177.8 16.8 10.8 -11.0 113 129 A G T > 5S- 0 0 26 3,-0.2 3,-1.5 -2,-0.2 8,-0.1 -0.338 91.4 -64.0 109.7 166.5 13.9 13.0 -12.0 114 130 A K T 3 5S+ 0 0 180 1,-0.3 -1,-0.2 -2,-0.1 0, 0.0 0.704 143.0 37.3 -61.4 -18.1 10.2 12.7 -11.8 115 131 A R T 3 5S- 0 0 146 -3,-0.2 -1,-0.3 0, 0.0 -2,-0.1 0.320 107.5-126.1-112.3 2.8 10.5 9.7 -14.2 116 132 A G T < 5S+ 0 0 39 -3,-1.5 -3,-0.2 1,-0.1 -5,-0.2 0.886 81.6 109.9 52.6 43.6 13.7 8.4 -12.6 117 133 A D < + 0 0 95 -5,-0.9 2,-0.4 -6,-0.1 -4,-0.2 0.153 47.0 102.3-131.6 16.5 15.4 8.5 -16.0 118 134 A Q B -F 112 0C 44 -6,-2.6 -6,-2.7 1,-0.1 3,-0.1 -0.824 53.5-157.7-108.2 141.9 17.9 11.3 -15.7 119 135 A D S S+ 0 0 46 -2,-0.4 2,-0.3 -8,-0.2 -1,-0.1 0.908 84.7 41.1 -76.3 -43.6 21.6 11.1 -15.0 120 136 A L S S- 0 0 45 -8,-0.1 2,-0.5 -15,-0.1 -1,-0.1 -0.778 73.7-134.7-110.9 150.6 21.6 14.6 -13.6 121 137 A M - 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