==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 13-NOV-05 2F0E . COMPND 2 MOLECULE: STAPHYLOCOCCAL NUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR J.Z.LU,J.SAKON,W.E.STITES . 135 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7652.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 93 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 25.2 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 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 3.0 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 . 9 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 20.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 0 0 1 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 2 2 0 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 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 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 7 A L 0 0 100 0, 0.0 2,-0.3 0, 0.0 70,-0.1 0.000 360.0 360.0 360.0 155.1 0.6 36.7 21.6 2 8 A H - 0 0 123 68,-0.3 68,-0.6 69,-0.1 2,-0.3 -0.987 360.0-118.4-143.9 154.9 3.6 37.9 19.7 3 9 A K E -A 69 0A 86 -2,-0.3 66,-0.2 66,-0.2 83,-0.0 -0.637 23.9-166.5 -90.6 148.9 6.3 36.5 17.5 4 10 A E E -A 68 0A 33 64,-2.2 64,-3.2 -2,-0.3 2,-0.0 -0.976 26.4-103.5-134.7 149.8 10.0 36.6 18.4 5 11 A P E +A 67 0A 84 0, 0.0 17,-0.4 0, 0.0 2,-0.3 -0.287 39.9 170.4 -74.9 154.4 13.0 35.9 16.2 6 12 A A E -A 66 0A 10 60,-1.7 60,-0.7 15,-0.1 2,-0.4 -0.970 25.6-129.3-154.7 162.2 15.0 32.7 16.3 7 13 A T E -B 20 0A 98 13,-1.8 13,-3.2 -2,-0.3 2,-0.2 -0.982 27.0-114.0-126.0 135.7 17.7 31.0 14.3 8 14 A L E +B 19 0A 46 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.407 35.5 167.9 -64.4 127.9 17.6 27.5 13.0 9 15 A I E - 0 0 74 9,-2.7 2,-0.3 1,-0.3 10,-0.2 0.799 67.6 -26.2 -99.4 -52.6 20.2 25.2 14.5 10 16 A K E -B 18 0A 128 8,-2.6 8,-3.8 0, 0.0 2,-0.4 -0.947 48.7-128.6-161.8 135.8 18.8 21.9 13.2 11 17 A A E +B 17 0A 17 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.766 29.1 175.3 -80.2 131.4 15.6 20.2 12.1 12 18 A I - 0 0 39 4,-2.4 2,-0.3 -2,-0.4 5,-0.2 0.787 57.9 -17.4-106.3 -42.5 15.3 17.0 14.1 13 19 A D S S- 0 0 5 3,-2.3 -1,-0.4 39,-0.1 3,-0.2 -0.844 79.0 -80.2-147.7-177.4 11.9 15.6 13.2 14 20 A G S S+ 0 0 0 22,-0.3 23,-0.1 -2,-0.3 83,-0.1 0.825 131.6 25.9 -56.4 -36.2 8.6 16.6 11.6 15 21 A D S S+ 0 0 3 20,-0.1 15,-2.9 21,-0.1 2,-0.4 0.401 114.7 70.2-114.2 -0.1 7.5 18.1 15.0 16 22 A T E + C 0 29A 12 13,-0.2 -4,-2.4 -3,-0.2 -3,-2.3 -0.978 50.7 172.7-131.6 130.6 10.8 19.0 16.6 17 23 A L E -BC 11 28A 0 11,-2.1 11,-3.4 -2,-0.4 2,-0.6 -0.973 28.0-134.5-131.8 146.4 13.5 21.6 15.8 18 24 A K E +BC 10 27A 73 -8,-3.8 -9,-2.7 -2,-0.3 -8,-2.6 -0.940 37.4 174.9 -99.1 120.0 16.6 22.9 17.5 19 25 A L E -BC 8 26A 0 7,-2.9 7,-2.8 -2,-0.6 2,-0.7 -0.883 37.5-123.0-122.1 153.4 16.7 26.7 17.5 20 26 A M E +BC 7 25A 69 -13,-3.2 -13,-1.8 -2,-0.3 2,-0.5 -0.857 40.4 178.0 -87.6 113.5 18.8 29.5 18.9 21 27 A Y E > - C 0 24A 32 3,-3.3 3,-2.0 -2,-0.7 -15,-0.1 -0.973 64.9 -13.8-128.3 123.0 16.4 31.5 21.0 22 28 A K T 3 S- 0 0 98 -2,-0.5 -1,-0.2 -17,-0.4 -16,-0.1 0.892 131.1 -53.6 49.8 43.3 17.5 34.5 23.0 23 29 A G T 3 S+ 0 0 64 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.0 0.404 118.9 103.2 75.9 3.4 21.0 33.4 22.4 24 30 A Q E < S-C 21 0A 90 -3,-2.0 -3,-3.3 2,-0.0 2,-0.3 -0.947 73.4-117.8-118.8 142.5 20.6 29.9 23.7 25 31 A P E +C 20 0A 81 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.510 45.8 170.0 -68.7 131.8 20.3 26.6 21.8 26 32 A M E -C 19 0A 42 -7,-2.8 -7,-2.9 -2,-0.3 2,-0.4 -0.997 35.1-123.8-149.9 141.9 16.9 25.1 22.6 27 33 A T E -C 18 0A 41 -2,-0.3 55,-2.9 -9,-0.2 2,-0.4 -0.729 28.4-161.3 -85.2 130.8 14.7 22.2 21.5 28 34 A F E -Cd 17 82A 1 -11,-3.4 -11,-2.1 -2,-0.4 2,-0.4 -0.938 9.1-155.7-114.0 138.7 11.2 23.2 20.3 29 35 A R E -Cd 16 83A 32 53,-3.3 55,-1.6 -2,-0.4 2,-0.5 -0.939 31.5-114.6-104.2 131.7 8.2 21.0 20.0 30 36 A L E > - d 0 84A 1 -15,-2.9 3,-1.0 -2,-0.4 55,-0.2 -0.607 35.9-119.4 -68.9 120.7 5.5 22.3 17.5 31 37 A L T 3 S+ 0 0 14 53,-2.6 55,-0.1 -2,-0.5 -1,-0.1 -0.267 82.6 3.0 -55.6 141.3 2.4 23.1 19.5 32 38 A L T 3 S+ 0 0 12 75,-0.2 74,-2.4 80,-0.1 2,-0.4 0.349 105.3 99.8 69.9 3.3 -0.9 21.3 18.7 33 39 A V E < -H 105 0B 0 -3,-1.0 2,-0.5 72,-0.3 72,-0.2 -0.948 49.5-162.4-127.0 146.9 0.3 18.9 16.0 34 40 A D E -H 104 0B 69 70,-2.7 70,-2.5 -2,-0.4 3,-0.0 -0.973 13.3-172.7-114.7 118.7 1.4 15.3 15.9 35 41 A T - 0 0 7 -2,-0.5 68,-0.2 68,-0.2 -20,-0.1 -0.790 38.0 -97.0-103.3 154.7 3.5 14.1 12.9 36 42 A P - 0 0 15 0, 0.0 -22,-0.3 0, 0.0 2,-0.3 -0.373 53.9-125.9 -60.0 146.8 4.4 10.5 12.2 37 43 A E - 0 0 45 1,-0.1 9,-2.5 -24,-0.1 12,-0.2 -0.757 28.1-165.6-110.8 155.2 7.8 10.0 13.7 38 44 A T S S+ 0 0 37 -2,-0.3 -1,-0.1 11,-0.2 -25,-0.1 0.666 85.3 49.0 -94.9 -31.2 11.2 8.8 12.4 39 45 A K S S+ 0 0 121 10,-0.1 4,-0.1 6,-0.0 5,-0.1 0.700 74.5 85.1 -76.3-118.9 12.8 8.4 15.8 40 46 A H >> - 0 0 113 1,-0.1 4,-2.7 3,-0.1 3,-1.1 0.733 59.5-144.6 13.1 115.3 11.1 6.6 18.7 41 47 A P T 34 S+ 0 0 125 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.493 85.6 90.8 -76.9 -0.5 11.6 2.8 18.7 42 48 A K T 34 S- 0 0 183 1,-0.1 -2,-0.1 2,-0.1 -3,-0.0 0.883 123.9 -9.0 -60.7 -31.1 8.1 2.2 20.0 43 49 A K T <4 S- 0 0 155 -3,-1.1 2,-0.7 1,-0.1 -1,-0.1 0.452 93.6-149.1-135.9 -22.3 7.2 2.1 16.4 44 50 A G < + 0 0 23 -4,-2.7 2,-0.7 -5,-0.1 -2,-0.1 -0.764 70.0 5.5 89.6-109.9 10.4 3.2 14.7 45 51 A V S S- 0 0 89 -2,-0.7 -7,-0.2 -4,-0.1 3,-0.1 -0.867 77.3-155.8-111.8 95.2 9.7 5.0 11.4 46 52 A E > - 0 0 66 -9,-2.5 3,-1.5 -2,-0.7 2,-0.2 -0.289 34.7 -82.2 -65.4 160.8 6.0 5.5 10.9 47 53 A K T 3 S+ 0 0 129 1,-0.3 -1,-0.1 2,-0.2 -10,-0.0 -0.480 119.4 15.7 -62.4 126.3 4.5 6.0 7.4 48 54 A Y T 3> S+ 0 0 45 -2,-0.2 4,-2.9 -3,-0.1 5,-0.3 0.326 95.7 114.6 79.7 -0.7 4.8 9.6 6.2 49 55 A G H <> S+ 0 0 0 -3,-1.5 4,-2.5 -12,-0.2 5,-0.2 0.975 76.8 44.0 -62.6 -54.5 7.4 10.1 9.0 50 56 A P H > S+ 0 0 65 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.906 116.4 49.2 -57.2 -37.3 10.2 10.7 6.5 51 57 A E H > S+ 0 0 80 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.911 111.3 46.9 -68.3 -44.8 8.0 12.9 4.4 52 58 A A H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 5,-0.2 0.902 114.6 49.4 -59.7 -42.2 6.7 15.0 7.4 53 59 A S H X S+ 0 0 24 -4,-2.5 4,-2.0 -5,-0.3 -2,-0.2 0.889 112.0 46.6 -67.0 -40.1 10.3 15.3 8.5 54 60 A A H X S+ 0 0 55 -4,-2.3 4,-2.6 -5,-0.2 5,-0.3 0.892 110.7 53.8 -71.0 -37.9 11.5 16.4 5.0 55 61 A F H X S+ 0 0 60 -4,-2.8 4,-2.2 2,-0.2 5,-0.2 0.966 111.2 44.0 -61.3 -48.0 8.7 18.9 4.7 56 62 A T H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 5,-0.3 0.955 113.8 52.2 -62.1 -40.3 9.5 20.6 8.0 57 63 A K H X S+ 0 0 90 -4,-2.0 4,-2.8 -5,-0.2 5,-0.2 0.946 111.4 44.1 -62.4 -45.6 13.2 20.5 7.2 58 64 A K H X S+ 0 0 144 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.945 112.4 52.9 -67.1 -45.0 12.9 22.2 3.8 59 65 A M H < S+ 0 0 38 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.934 117.2 36.3 -58.6 -44.9 10.5 24.7 5.0 60 66 A V H >< S+ 0 0 4 -4,-2.6 3,-1.1 -5,-0.2 -1,-0.2 0.882 116.1 52.4 -81.2 -32.2 12.7 25.9 7.8 61 67 A E H 3< S+ 0 0 92 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.847 110.5 48.6 -68.9 -31.2 16.0 25.5 6.0 62 68 A N T 3< S+ 0 0 109 -4,-2.5 -1,-0.2 -5,-0.2 2,-0.2 0.339 90.5 112.7 -91.4 8.1 14.8 27.6 3.0 63 69 A A < - 0 0 24 -3,-1.1 3,-0.1 1,-0.1 -3,-0.0 -0.530 56.0-155.8 -83.7 147.5 13.5 30.4 5.1 64 70 A K S S+ 0 0 183 1,-0.3 2,-0.4 -2,-0.2 -1,-0.1 0.828 87.5 21.2 -72.8 -42.8 14.8 34.0 5.3 65 71 A K - 0 0 140 -58,-0.0 24,-2.9 2,-0.0 2,-0.4 -1.000 63.4-165.1-137.5 132.5 13.3 34.5 8.8 66 72 A I E -AE 6 88A 15 -60,-0.7 -60,-1.7 -2,-0.4 2,-0.4 -0.935 14.2-176.9-113.3 138.3 12.2 32.0 11.5 67 73 A E E -AE 5 87A 55 20,-2.2 20,-2.8 -2,-0.4 2,-0.4 -0.988 15.2-145.5-135.6 148.3 10.0 33.3 14.3 68 74 A V E -AE 4 86A 0 -64,-3.2 -64,-2.2 -2,-0.4 2,-0.5 -0.911 8.1-165.2-114.1 141.4 8.7 31.6 17.4 69 75 A E E -AE 3 85A 8 16,-2.0 16,-2.7 -2,-0.4 2,-0.2 -0.959 9.2-152.9-126.5 110.2 5.3 32.3 18.9 70 76 A F E - E 0 84A 17 -68,-0.6 -68,-0.3 -2,-0.5 14,-0.2 -0.526 14.8-133.7 -78.6 147.1 4.6 31.1 22.5 71 77 A D - 0 0 3 12,-0.7 41,-0.1 3,-0.2 -1,-0.1 -0.020 32.7 -90.5 -83.7-161.0 0.9 30.4 23.4 72 78 A K S S+ 0 0 130 39,-0.6 40,-0.2 -71,-0.0 3,-0.1 0.535 101.7 52.6 -92.1 -9.7 -0.7 31.6 26.7 73 79 A G S S- 0 0 14 1,-0.3 37,-0.1 38,-0.1 -3,-0.0 0.082 108.7 -14.2-104.0-144.7 0.0 28.6 29.0 74 80 A Q - 0 0 116 1,-0.1 -1,-0.3 -4,-0.0 -3,-0.2 -0.297 51.2-158.3 -55.9 138.8 3.2 26.7 29.8 75 81 A R S S+ 0 0 125 -3,-0.1 8,-2.6 -5,-0.1 2,-0.3 0.544 74.0 43.1-100.9 -9.1 6.0 27.5 27.5 76 82 A T B S-F 82 0A 78 6,-0.3 6,-0.2 -48,-0.1 2,-0.1 -0.956 73.5-137.8-129.7 155.2 8.1 24.3 28.1 77 83 A D > - 0 0 33 4,-1.9 3,-2.4 -2,-0.3 4,-0.1 -0.478 44.7 -85.2-101.7-176.7 7.0 20.7 28.4 78 84 A K T 3 S+ 0 0 179 1,-0.3 -1,-0.0 -2,-0.1 -2,-0.0 0.676 127.3 59.1 -68.8 -6.5 8.4 18.2 31.0 79 85 A Y T 3 S- 0 0 163 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.359 120.0-106.3 -98.2 7.9 11.4 17.4 28.7 80 86 A G S < S+ 0 0 48 -3,-2.4 2,-0.4 1,-0.3 -53,-0.2 0.533 73.2 145.1 81.0 6.9 12.5 21.0 28.7 81 87 A R - 0 0 61 -55,-0.1 -4,-1.9 -4,-0.1 -1,-0.3 -0.609 53.1-116.1 -83.2 137.5 11.3 21.5 25.2 82 88 A G E -dF 28 76A 0 -55,-2.9 -53,-3.3 -2,-0.4 2,-0.6 -0.390 22.4-141.8 -61.7 143.3 9.8 24.9 24.2 83 89 A L E +d 29 0A 25 -8,-2.6 -12,-0.7 -55,-0.2 2,-0.3 -0.926 43.1 135.1-114.3 107.5 6.2 24.8 23.1 84 90 A A E -dE 30 70A 0 -55,-1.6 -53,-2.6 -2,-0.6 2,-0.5 -0.917 59.2-110.3-149.8 166.4 5.5 27.1 20.2 85 91 A Y E - E 0 69A 0 -16,-2.7 -16,-2.0 -2,-0.3 2,-0.4 -0.861 42.0-148.2 -91.8 127.6 4.0 27.9 16.9 86 92 A I E - E 0 68A 0 -2,-0.5 7,-3.1 -18,-0.2 8,-0.7 -0.913 9.0-159.5-109.4 138.0 6.8 28.2 14.4 87 93 A Y E -GE 92 67A 18 -20,-2.8 -20,-2.2 -2,-0.4 2,-0.6 -0.963 6.1-165.5-115.3 129.2 6.8 30.6 11.4 88 94 A A E > S-GE 91 66A 2 3,-3.3 3,-2.0 -2,-0.4 -22,-0.2 -0.969 83.9 -22.2-109.5 113.1 8.9 30.3 8.3 89 95 A D T 3 S- 0 0 52 -24,-2.9 -1,-0.2 -2,-0.6 -23,-0.1 0.914 130.7 -48.1 50.7 46.4 8.8 33.6 6.3 90 96 A G T 3 S+ 0 0 54 -25,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.468 117.4 116.2 78.6 -3.4 5.6 34.5 8.0 91 97 A K E < -G 88 0A 126 -3,-2.0 -3,-3.3 4,-0.0 2,-0.5 -0.893 69.1-122.2-105.6 129.4 4.0 31.0 7.3 92 98 A M E > -G 87 0A 17 -2,-0.5 4,-2.4 -5,-0.3 -5,-0.3 -0.507 14.6-157.9 -74.8 118.8 3.1 28.8 10.3 93 99 A V H > S+ 0 0 0 -7,-3.1 4,-2.3 -2,-0.5 5,-0.2 0.900 91.0 57.5 -60.7 -39.2 5.0 25.5 10.0 94 100 A N H > S+ 0 0 0 -8,-0.7 4,-1.4 1,-0.2 -1,-0.2 0.912 110.6 43.0 -60.9 -39.9 2.4 23.8 12.3 95 101 A E H > S+ 0 0 42 2,-0.2 4,-3.6 1,-0.2 5,-0.2 0.925 109.1 56.7 -70.5 -44.0 -0.4 24.7 9.9 96 102 A A H X S+ 0 0 18 -4,-2.4 4,-2.0 1,-0.2 6,-0.2 0.925 107.5 50.0 -53.4 -45.0 1.5 23.9 6.7 97 103 A L H <>S+ 0 0 0 -4,-2.3 5,-2.7 1,-0.2 6,-0.6 0.924 114.4 43.4 -60.1 -41.6 2.0 20.4 8.0 98 104 A V H ><5S+ 0 0 0 -4,-1.4 3,-1.6 -5,-0.2 5,-0.2 0.914 110.2 55.3 -72.2 -40.9 -1.6 19.9 8.9 99 105 A R H 3<5S+ 0 0 66 -4,-3.6 -1,-0.2 1,-0.3 -2,-0.2 0.830 108.2 50.5 -59.4 -33.1 -2.8 21.5 5.6 100 106 A Q T 3<5S- 0 0 81 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.326 116.2-110.8 -88.8 7.1 -0.7 18.9 3.6 101 107 A G T < 5S+ 0 0 0 -3,-1.6 32,-2.4 2,-0.2 33,-0.2 0.804 88.6 117.1 71.0 23.6 -2.0 15.9 5.5 102 108 A L S -I 112 0C 155 3,-0.5 3,-2.5 -2,-0.3 -36,-0.1 -0.927 31.0-108.5-123.3 105.5 -4.4 21.3 26.5 110 116 A K T 3 S+ 0 0 149 -2,-0.5 0, 0.0 1,-0.4 0, 0.0 -0.430 99.2 32.7 -64.5 151.1 -5.9 24.7 27.4 111 117 A P T 3 S+ 0 0 58 0, 0.0 2,-1.8 0, 0.0 -39,-0.6 -0.968 111.6 68.6 -90.9 18.3 -4.9 27.2 27.8 112 118 A N B < S+I 109 0C 9 -3,-2.5 -3,-0.5 1,-0.2 -80,-0.1 -0.507 76.7 94.0 -88.1 71.7 -2.3 26.4 25.1 113 119 A N > + 0 0 22 -2,-1.8 3,-1.7 -5,-0.1 4,-0.3 0.071 31.9 129.2-150.3 24.7 -4.9 26.3 22.3 114 120 A T T 3 S+ 0 0 56 -3,-0.3 3,-0.4 1,-0.3 4,-0.3 0.944 84.1 37.3 -52.1 -52.1 -5.1 29.7 20.6 115 121 A H T 3> S+ 0 0 37 1,-0.2 4,-2.5 2,-0.1 5,-0.3 0.239 84.3 111.2 -89.7 21.1 -4.7 28.4 17.0 116 122 A E H <> S+ 0 0 35 -3,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.912 77.3 47.4 -59.1 -48.5 -6.8 25.3 17.6 117 123 A Q H > S+ 0 0 123 -3,-0.4 4,-2.0 -4,-0.3 -1,-0.2 0.914 112.7 50.3 -52.3 -52.9 -9.8 26.4 15.4 118 124 A H H > S+ 0 0 91 -4,-0.3 4,-1.9 1,-0.2 -2,-0.2 0.921 112.6 44.7 -57.3 -52.9 -7.5 27.4 12.6 119 125 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.873 109.8 55.6 -64.5 -35.4 -5.5 24.2 12.5 120 126 A R H X S+ 0 0 97 -4,-2.3 4,-2.3 -5,-0.3 -1,-0.2 0.901 106.0 51.4 -67.8 -32.4 -8.6 22.1 12.8 121 127 A K H X S+ 0 0 146 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.898 110.8 48.9 -66.0 -40.3 -10.1 23.8 9.7 122 128 A S H X S+ 0 0 11 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.888 110.6 51.1 -65.3 -34.3 -6.9 23.1 7.8 123 129 A E H X S+ 0 0 23 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.915 107.4 51.9 -70.4 -38.8 -7.0 19.5 9.0 124 130 A A H X S+ 0 0 40 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.889 110.4 49.7 -62.4 -39.0 -10.6 19.1 7.8 125 131 A Q H X S+ 0 0 79 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.935 109.1 50.2 -65.4 -46.7 -9.6 20.4 4.3 126 132 A A H <>S+ 0 0 0 -4,-2.5 5,-2.4 2,-0.2 -1,-0.2 0.894 112.7 48.2 -60.6 -32.5 -6.6 18.0 4.1 127 133 A K H ><5S+ 0 0 96 -4,-2.0 3,-1.2 2,-0.2 -2,-0.2 0.929 110.5 50.4 -70.8 -44.4 -9.0 15.1 5.0 128 134 A K H 3<5S+ 0 0 156 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.852 113.3 46.5 -58.0 -36.5 -11.5 16.3 2.4 129 135 A E T 3<5S- 0 0 83 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.490 107.5-132.5 -87.5 -0.0 -8.7 16.4 -0.1 130 136 A K T < 5 + 0 0 144 -3,-1.2 2,-0.3 -4,-0.2 -3,-0.2 0.867 41.1 176.3 52.8 44.8 -7.5 13.0 1.1 131 137 A L > < - 0 0 45 -5,-2.4 3,-2.5 -6,-0.1 -1,-0.2 -0.670 46.6 -51.9 -86.6 137.6 -3.9 14.1 1.3 132 138 A N G > S+ 0 0 46 -2,-0.3 3,-2.8 1,-0.3 -30,-0.2 -0.109 135.7 26.0 47.0-111.4 -1.0 11.9 2.6 133 139 A I G 3 S+ 0 0 52 -32,-2.4 -1,-0.3 1,-0.3 -31,-0.1 0.816 125.0 54.1 -48.6 -35.2 -2.1 10.5 6.0 134 140 A W G < 0 0 69 -3,-2.5 -1,-0.3 -33,-0.2 -2,-0.2 0.236 360.0 360.0 -86.4 13.2 -5.8 10.9 4.9 135 141 A S < 0 0 105 -3,-2.8 -4,-0.1 -34,-0.2 -5,-0.1 -0.387 360.0 360.0-105.4 360.0 -5.3 8.9 1.7