==== 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 2F0J . 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) . 7459.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 91 67.4 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 . 33 24.4 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 . 3 2.2 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 . 10 7.4 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 . 27 20.0 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 . 1 2 1 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 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,-0.4 0, 0.0 70,-0.1 0.000 360.0 360.0 360.0 132.9 0.4 36.6 21.2 2 8 A H - 0 0 121 68,-0.3 68,-0.5 69,-0.1 2,-0.3 -0.929 360.0-126.1-127.1 150.2 3.6 37.9 19.6 3 9 A K - 0 0 94 -2,-0.4 66,-0.2 66,-0.1 83,-0.0 -0.683 23.9-167.4 -87.5 150.1 6.1 36.6 17.2 4 10 A E E -A 68 0A 34 64,-2.4 64,-2.9 -2,-0.3 2,-0.1 -0.978 23.6-108.5-133.0 147.2 9.8 36.6 18.1 5 11 A P E +A 67 0A 83 0, 0.0 17,-0.4 0, 0.0 2,-0.3 -0.342 38.9 167.8 -76.9 154.8 12.9 35.9 15.9 6 12 A A E -A 66 0A 13 60,-2.0 60,-0.7 15,-0.1 2,-0.4 -0.966 28.3-124.1-154.5 166.3 15.0 32.8 16.2 7 13 A T E -B 20 0A 95 13,-1.8 13,-2.9 -2,-0.3 2,-0.1 -0.969 27.6-114.9-122.0 133.3 17.7 31.1 14.1 8 14 A L E +B 19 0A 45 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.322 33.7 170.5 -61.9 135.9 17.5 27.5 12.8 9 15 A I E - 0 0 70 9,-2.6 2,-0.3 1,-0.3 10,-0.2 0.724 66.4 -34.7-108.1 -52.4 20.1 25.2 14.3 10 16 A K E -B 18 0A 109 8,-2.1 8,-3.4 0, 0.0 2,-0.4 -0.927 49.8-119.8-165.7 145.1 18.8 22.0 12.9 11 17 A A E +B 17 0A 18 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.736 27.4 179.7 -81.4 137.3 15.6 20.2 12.1 12 18 A I E - 0 0 46 4,-2.3 2,-0.3 1,-0.4 5,-0.2 0.741 58.2 -24.1-106.9 -36.0 15.2 17.0 14.2 13 19 A D E > S-B 16 0A 4 3,-2.4 3,-0.8 40,-0.1 -1,-0.4 -0.938 77.1 -76.0-164.7 177.7 11.9 15.6 13.1 14 20 A G T 3 S+ 0 0 0 22,-0.3 23,-0.1 -2,-0.3 83,-0.1 0.828 132.0 27.9 -55.5 -34.2 8.6 16.4 11.6 15 21 A D T 3 S+ 0 0 5 1,-0.1 15,-2.7 20,-0.1 2,-0.4 0.297 116.3 65.4-115.2 6.2 7.4 17.9 14.9 16 22 A T E < +BC 13 29A 10 -3,-0.8 -3,-2.4 13,-0.2 -4,-2.3 -0.981 49.6 170.9-142.0 129.6 10.7 19.0 16.4 17 23 A V E -BC 11 28A 0 11,-2.0 11,-3.1 -2,-0.4 2,-0.5 -0.989 28.2-130.7-136.3 145.4 13.3 21.6 15.5 18 24 A K E +BC 10 27A 79 -8,-3.4 -9,-2.6 -2,-0.3 -8,-2.1 -0.870 35.4 177.9 -95.9 124.7 16.4 23.0 17.3 19 25 A L E -BC 8 26A 0 7,-2.7 7,-2.7 -2,-0.5 2,-0.7 -0.902 36.0-123.8-128.6 152.2 16.5 26.8 17.3 20 26 A M E +BC 7 25A 66 -13,-2.9 -13,-1.8 -2,-0.3 2,-0.5 -0.855 41.0 178.6 -89.3 112.1 18.7 29.5 18.7 21 27 A Y E > - C 0 24A 37 3,-3.3 3,-2.5 -2,-0.7 -15,-0.1 -0.983 62.7 -18.8-125.7 127.9 16.3 31.6 20.8 22 28 A K T 3 S- 0 0 139 -2,-0.5 -1,-0.2 -17,-0.4 -16,-0.1 0.811 131.1 -48.8 43.9 41.0 17.3 34.7 22.7 23 29 A G T 3 S+ 0 0 59 1,-0.2 -1,-0.3 -3,-0.0 -3,-0.0 0.324 119.9 97.9 90.0 -3.6 20.9 33.5 22.6 24 30 A Q E < S-C 21 0A 129 -3,-2.5 -3,-3.3 2,-0.0 2,-0.3 -0.906 73.3-120.3-116.2 142.6 20.4 29.9 23.6 25 31 A P E +C 20 0A 80 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.674 44.4 170.5 -72.2 136.0 20.1 26.7 21.7 26 32 A M E -C 19 0A 60 -7,-2.7 -7,-2.7 -2,-0.3 2,-0.5 -0.992 34.4-124.9-146.5 142.4 16.7 25.1 22.5 27 33 A T E -C 18 0A 42 -2,-0.3 55,-2.6 53,-0.3 2,-0.4 -0.840 27.9-158.9 -87.0 131.3 14.6 22.3 21.2 28 34 A F E -Cd 17 82A 0 -11,-3.1 -11,-2.0 -2,-0.5 2,-0.4 -0.933 7.9-153.9-110.0 135.4 11.1 23.3 20.2 29 35 A R E -Cd 16 83A 36 53,-3.0 55,-1.6 -2,-0.4 2,-0.4 -0.886 32.1-113.6 -96.3 132.5 8.1 20.9 19.9 30 36 A L E > - d 0 84A 1 -15,-2.7 3,-1.0 -2,-0.4 55,-0.2 -0.558 36.4-118.1 -71.0 123.5 5.5 22.2 17.4 31 37 A L T 3 S+ 0 0 14 53,-2.6 55,-0.1 -2,-0.4 -1,-0.1 -0.325 81.5 1.9 -63.6 144.2 2.3 23.0 19.3 32 38 A L T 3 S+ 0 0 12 75,-0.2 74,-2.0 80,-0.1 2,-0.4 0.402 104.5 98.0 69.7 9.0 -1.0 21.2 18.5 33 39 A V E < -H 105 0B 0 -3,-1.0 2,-0.5 72,-0.3 72,-0.2 -0.981 51.3-158.3-131.8 148.1 0.2 18.8 15.9 34 40 A D E -H 104 0B 57 70,-2.9 70,-2.6 -2,-0.4 3,-0.0 -0.983 16.2-172.8-115.3 115.2 1.2 15.2 15.7 35 41 A T - 0 0 4 -2,-0.5 68,-0.2 68,-0.2 -20,-0.1 -0.680 38.1 -95.4 -98.8 158.0 3.3 14.1 12.8 36 42 A P - 0 0 2 0, 0.0 2,-0.3 0, 0.0 -22,-0.3 -0.451 54.4-128.1 -61.6 147.1 4.3 10.6 12.0 37 43 A E - 0 0 29 4,-0.2 9,-3.3 5,-0.2 12,-0.2 -0.804 31.2-163.6-113.3 153.8 7.7 10.1 13.6 38 44 A T S S+ 0 0 35 -2,-0.3 -1,-0.1 7,-0.3 2,-0.1 0.545 99.5 36.5 -94.1 -19.9 11.1 8.9 12.4 39 45 A K S S- 0 0 108 1,-0.1 7,-0.3 2,-0.1 -2,-0.2 0.079 109.8 -4.8 -99.0-140.7 11.8 8.6 16.1 40 46 A H S S+ 0 0 106 1,-0.2 -1,-0.1 3,-0.1 -2,-0.1 -0.848 84.3 66.3-122.4 156.9 9.2 7.5 18.7 41 47 A P S S+ 0 0 84 0, 0.0 -4,-0.2 0, 0.0 -1,-0.2 0.462 100.7 18.1 -95.5 148.0 6.5 6.8 19.3 42 48 A K S S- 0 0 101 -6,-0.1 -5,-0.2 -4,-0.1 4,-0.1 0.644 102.9 -34.3-156.9-165.2 6.6 4.4 17.7 43 49 A K S S- 0 0 194 1,-0.1 2,-0.8 2,-0.1 -3,-0.1 0.705 93.8 -92.6 54.0 23.3 7.8 1.4 15.8 44 50 A G S S+ 0 0 22 -5,-0.1 2,-0.8 1,-0.1 -1,-0.1 -0.709 105.9 22.2 85.6-103.9 10.8 3.5 14.7 45 51 A V S S- 0 0 90 -2,-0.8 -7,-0.3 -9,-0.0 3,-0.1 -0.816 81.5-156.5 -98.9 91.2 10.1 5.2 11.3 46 52 A E > - 0 0 54 -9,-3.3 3,-1.6 -2,-0.8 2,-0.4 -0.144 34.4 -77.1 -68.9 169.9 6.3 5.5 10.9 47 53 A K T 3 S+ 0 0 152 1,-0.3 -1,-0.1 2,-0.2 -10,-0.1 -0.552 121.5 11.8 -70.2 121.2 4.6 5.8 7.6 48 54 A Y T 3> S+ 0 0 38 -2,-0.4 4,-3.3 -3,-0.1 5,-0.4 0.235 97.2 114.5 89.0 -2.5 4.8 9.4 6.3 49 55 A G H <> S+ 0 0 0 -3,-1.6 4,-2.7 -12,-0.2 -11,-0.3 0.970 76.9 43.5 -60.3 -52.8 7.4 10.1 9.0 50 56 A P H > S+ 0 0 65 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.905 116.0 50.7 -63.5 -34.5 10.3 10.7 6.5 51 57 A E H > S+ 0 0 97 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.943 112.4 43.9 -61.2 -51.0 7.9 12.8 4.4 52 58 A A H X S+ 0 0 0 -4,-3.3 4,-2.2 1,-0.2 5,-0.3 0.906 114.4 52.4 -63.2 -40.3 6.7 14.9 7.3 53 59 A S H X S+ 0 0 26 -4,-2.7 4,-1.9 -5,-0.4 -1,-0.2 0.930 109.5 46.7 -64.6 -40.3 10.3 15.2 8.4 54 60 A A H X S+ 0 0 46 -4,-2.4 4,-2.7 -5,-0.2 5,-0.3 0.889 110.1 55.6 -71.9 -28.8 11.6 16.3 5.0 55 61 A F H X S+ 0 0 54 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.964 109.6 43.3 -66.2 -50.8 8.8 18.9 4.8 56 62 A T H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 5,-0.4 0.958 115.3 50.3 -58.0 -49.3 9.5 20.6 8.1 57 63 A K H X S+ 0 0 89 -4,-1.9 4,-2.7 -5,-0.3 5,-0.3 0.949 112.5 45.1 -54.3 -53.6 13.3 20.6 7.3 58 64 A K H X S+ 0 0 143 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.927 113.3 52.4 -59.0 -41.8 12.9 22.1 3.8 59 65 A M H < S+ 0 0 35 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.930 117.1 34.9 -65.9 -43.6 10.5 24.7 5.1 60 66 A V H >< S+ 0 0 2 -4,-2.6 3,-1.0 -5,-0.2 -1,-0.2 0.853 116.6 54.6 -79.9 -32.4 12.7 26.0 7.9 61 67 A E H 3< S+ 0 0 93 -4,-2.7 -2,-0.2 -5,-0.4 -3,-0.2 0.904 109.9 45.8 -66.9 -37.3 16.0 25.6 6.0 62 68 A N T 3< S+ 0 0 128 -4,-2.2 -1,-0.2 -5,-0.3 2,-0.2 0.288 90.9 112.2 -88.8 10.6 14.9 27.6 3.0 63 69 A A < - 0 0 22 -3,-1.0 3,-0.2 1,-0.1 -3,-0.0 -0.590 57.0-153.9 -86.9 147.8 13.4 30.4 5.0 64 70 A K S S+ 0 0 182 1,-0.3 2,-0.4 -2,-0.2 -1,-0.1 0.835 89.4 22.9 -73.6 -40.8 14.8 34.0 5.2 65 71 A K - 0 0 113 -58,-0.0 24,-3.0 2,-0.0 2,-0.4 -0.994 64.1-166.2-133.3 127.3 13.2 34.5 8.6 66 72 A V E -AE 6 88A 13 -60,-0.7 -60,-2.0 -2,-0.4 2,-0.4 -0.916 15.7-177.1-104.8 134.6 12.2 31.9 11.3 67 73 A E E -AE 5 87A 45 20,-2.5 20,-3.1 -2,-0.4 2,-0.4 -0.984 14.7-146.8-131.7 149.6 10.0 33.2 14.1 68 74 A V E -AE 4 86A 0 -64,-2.9 -64,-2.4 -2,-0.4 2,-0.4 -0.888 7.4-166.0-113.5 144.3 8.6 31.5 17.2 69 75 A E E - E 0 85A 9 16,-2.0 16,-2.6 -2,-0.4 -66,-0.1 -0.952 9.0-153.3-130.3 108.4 5.2 32.3 18.8 70 76 A F E - E 0 84A 20 -68,-0.5 -68,-0.3 -2,-0.4 14,-0.2 -0.454 17.1-130.6 -75.3 153.7 4.5 31.0 22.3 71 77 A D - 0 0 1 12,-0.6 41,-0.1 3,-0.2 -69,-0.1 -0.107 34.6 -87.6 -88.5-164.0 0.8 30.4 23.3 72 78 A K S S+ 0 0 114 39,-0.6 40,-0.2 -71,-0.0 3,-0.1 0.556 103.7 52.8 -82.9 -14.1 -0.9 31.7 26.5 73 79 A G S S- 0 0 14 1,-0.3 37,-0.1 38,-0.1 -3,-0.0 0.191 106.5 -16.8-106.0-144.4 -0.0 28.8 28.7 74 80 A Q - 0 0 117 1,-0.1 -1,-0.3 -4,-0.0 -3,-0.2 -0.339 50.8-155.4 -64.6 145.4 3.1 26.9 29.7 75 81 A R S S+ 0 0 118 -3,-0.1 8,-2.3 -5,-0.1 2,-0.3 0.487 72.7 41.9-104.5 -4.5 6.0 27.5 27.4 76 82 A T B S-F 82 0A 73 6,-0.3 6,-0.2 -48,-0.1 2,-0.1 -0.986 72.3-138.2-134.7 151.9 8.0 24.3 27.9 77 83 A D > - 0 0 36 4,-2.4 3,-1.8 -2,-0.3 -2,-0.1 -0.327 44.8 -82.8 -95.0-170.2 7.0 20.7 28.3 78 84 A K T 3 S+ 0 0 179 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.671 125.5 60.1 -71.3 -8.8 8.3 18.1 30.7 79 85 A Y T 3 S- 0 0 164 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.404 119.8-103.3 -98.8 6.8 11.3 17.4 28.4 80 86 A G S < S+ 0 0 48 -3,-1.8 2,-0.3 1,-0.3 -53,-0.3 0.612 75.7 143.8 88.1 4.9 12.6 20.9 28.5 81 87 A R - 0 0 64 -55,-0.1 -4,-2.4 -53,-0.1 -1,-0.3 -0.645 53.4-117.5 -89.3 141.8 11.2 21.6 25.0 82 88 A G E -dF 28 76A 0 -55,-2.6 -53,-3.0 -2,-0.3 2,-0.6 -0.460 23.2-144.3 -66.0 138.8 9.8 24.9 24.0 83 89 A L E +d 29 0A 22 -8,-2.3 -12,-0.6 -55,-0.2 2,-0.3 -0.926 43.3 126.1-110.2 111.0 6.1 24.7 23.0 84 90 A A E -dE 30 70A 0 -55,-1.6 -53,-2.6 -2,-0.6 2,-0.5 -0.963 62.4-100.7-157.9 169.7 5.3 27.1 20.1 85 91 A Y E - E 0 69A 0 -16,-2.6 -16,-2.0 -2,-0.3 2,-0.4 -0.803 42.1-149.3 -90.7 127.5 3.9 27.9 16.7 86 92 A I E - E 0 68A 0 -2,-0.5 7,-2.9 -18,-0.2 8,-0.7 -0.931 9.2-161.2-108.6 138.7 6.8 28.2 14.3 87 93 A Y E -GE 92 67A 17 -20,-3.1 -20,-2.5 -2,-0.4 2,-0.5 -0.959 8.5-164.2-119.6 132.8 6.7 30.5 11.3 88 94 A A E > S-GE 91 66A 6 3,-2.8 3,-2.3 -2,-0.4 -22,-0.2 -0.989 84.2 -24.5-111.7 115.0 8.9 30.4 8.1 89 95 A D T 3 S- 0 0 66 -24,-3.0 -1,-0.2 -2,-0.5 -23,-0.1 0.891 129.9 -46.5 46.1 49.6 8.7 33.7 6.2 90 96 A G T 3 S+ 0 0 48 -25,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.360 116.1 114.0 82.6 -10.9 5.3 34.4 7.7 91 97 A K E < -G 88 0A 112 -3,-2.3 -3,-2.8 4,-0.0 2,-0.5 -0.862 69.0-123.5-100.4 128.3 3.9 30.9 7.1 92 98 A M E > -G 87 0A 16 -2,-0.5 4,-2.4 -5,-0.2 -5,-0.3 -0.474 13.3-157.8 -71.0 117.9 3.0 28.7 10.1 93 99 A V H > S+ 0 0 1 -7,-2.9 4,-2.1 -2,-0.5 5,-0.2 0.899 91.9 57.9 -61.4 -37.3 4.9 25.4 9.8 94 100 A N H > S+ 0 0 0 -8,-0.7 4,-1.4 1,-0.2 -1,-0.2 0.929 110.0 42.5 -62.2 -42.7 2.3 23.8 12.1 95 101 A E H > S+ 0 0 29 1,-0.2 4,-3.5 2,-0.2 5,-0.2 0.901 110.1 56.4 -69.0 -41.3 -0.6 24.6 9.8 96 102 A A H X S+ 0 0 4 -4,-2.4 4,-1.8 1,-0.2 6,-0.2 0.925 106.3 50.4 -59.4 -39.2 1.3 23.8 6.6 97 103 A L H <>S+ 0 0 0 -4,-2.1 5,-2.8 -5,-0.2 6,-0.6 0.952 114.8 44.0 -62.1 -43.7 2.0 20.3 7.8 98 104 A V H ><5S+ 0 0 0 -4,-1.4 3,-1.5 -5,-0.2 -2,-0.2 0.913 109.8 54.4 -67.7 -42.8 -1.7 19.8 8.7 99 105 A R H 3<5S+ 0 0 64 -4,-3.5 -1,-0.2 1,-0.3 -2,-0.2 0.858 109.1 51.0 -62.4 -28.5 -2.9 21.4 5.4 100 106 A Q T 3<5S- 0 0 81 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.375 115.6-112.4 -87.8 1.9 -0.7 18.8 3.5 101 107 A G T < 5S+ 0 0 0 -3,-1.5 32,-2.5 2,-0.2 -3,-0.2 0.825 88.1 116.6 70.4 27.1 -2.0 15.8 5.4 102 108 A L S - 0 0 177 3,-0.4 3,-2.0 -2,-0.4 -77,-0.0 -0.911 36.5-105.3-111.5 103.2 -4.4 21.2 26.5 110 116 A K T 3 S+ 0 0 134 -2,-0.7 0, 0.0 1,-0.3 0, 0.0 -0.383 97.8 29.7 -66.0 150.0 -5.9 24.5 27.3 111 117 A P T 3 S+ 0 0 49 0, 0.0 2,-1.8 0, 0.0 -39,-0.6 -0.942 109.2 72.5 -95.3 22.5 -5.0 27.2 27.5 112 118 A N S < S+ 0 0 8 -3,-2.0 -3,-0.4 1,-0.2 -80,-0.1 -0.558 75.4 96.9 -86.7 70.8 -2.4 26.4 24.8 113 119 A N > + 0 0 22 -2,-1.8 3,-1.7 -5,-0.1 4,-0.3 0.160 32.0 125.9-147.3 16.8 -5.1 26.3 22.2 114 120 A T T 3 S+ 0 0 53 -3,-0.3 3,-0.3 1,-0.3 4,-0.2 0.895 84.8 34.7 -51.9 -46.4 -5.2 29.6 20.4 115 121 A H T 3> S+ 0 0 37 1,-0.2 4,-2.2 2,-0.1 -1,-0.3 0.235 85.8 114.0 -98.6 19.6 -4.8 28.4 16.9 116 122 A E H <> S+ 0 0 31 -3,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.903 76.6 43.9 -56.9 -48.9 -6.8 25.2 17.5 117 123 A Q H > S+ 0 0 101 -4,-0.3 4,-2.6 -3,-0.3 -1,-0.2 0.927 111.2 53.9 -63.8 -46.4 -9.8 26.0 15.2 118 124 A H H > S+ 0 0 102 -4,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.934 112.2 45.4 -52.8 -46.7 -7.6 27.3 12.3 119 125 A L H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 -1,-0.2 0.923 109.8 53.5 -66.7 -43.1 -5.7 24.1 12.4 120 126 A R H X S+ 0 0 86 -4,-2.3 4,-2.3 -5,-0.3 -1,-0.2 0.904 106.2 53.9 -60.8 -37.4 -8.8 22.0 12.6 121 127 A K H X S+ 0 0 130 -4,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.857 110.9 46.4 -61.2 -39.7 -10.2 23.8 9.5 122 128 A S H X S+ 0 0 9 -4,-1.7 4,-2.7 1,-0.2 -2,-0.2 0.865 110.3 52.8 -71.7 -36.4 -7.0 22.9 7.6 123 129 A E H X S+ 0 0 28 -4,-2.9 4,-1.8 2,-0.2 -2,-0.2 0.899 107.3 52.2 -63.2 -42.4 -7.1 19.3 8.8 124 130 A A H X S+ 0 0 44 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.902 110.6 48.6 -57.7 -45.5 -10.7 19.1 7.5 125 131 A Q H X S+ 0 0 72 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.944 109.3 51.4 -61.1 -48.5 -9.6 20.3 4.1 126 132 A A H <>S+ 0 0 0 -4,-2.7 5,-2.2 2,-0.2 -1,-0.2 0.861 110.8 48.7 -60.5 -33.3 -6.7 17.9 3.9 127 133 A K H ><5S+ 0 0 100 -4,-1.8 3,-1.1 3,-0.2 -1,-0.2 0.935 110.1 51.0 -69.3 -45.2 -9.0 15.0 4.7 128 134 A K H 3<5S+ 0 0 156 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.717 113.5 45.5 -59.7 -27.4 -11.5 16.1 2.1 129 135 A E T 3<5S- 0 0 82 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.450 108.0-133.3 -95.6 -1.9 -8.7 16.2 -0.4 130 136 A K T < 5 + 0 0 151 -3,-1.1 2,-0.4 -4,-0.2 -3,-0.2 0.870 38.7 178.2 50.0 48.9 -7.5 12.9 0.9 131 137 A L > < - 0 0 43 -5,-2.2 3,-2.5 4,-0.1 -1,-0.2 -0.672 46.4 -55.5 -85.8 131.1 -3.8 14.0 1.1 132 138 A N G > S+ 0 0 49 -2,-0.4 3,-3.0 1,-0.3 -30,-0.2 -0.148 136.2 31.0 54.6-107.2 -1.0 11.7 2.4 133 139 A I G 3 S+ 0 0 38 -32,-2.5 -1,-0.3 1,-0.3 -31,-0.1 0.793 125.1 51.5 -49.2 -31.2 -2.1 10.5 5.9 134 140 A W G < 0 0 73 -3,-2.5 -1,-0.3 -33,-0.2 -2,-0.2 0.174 360.0 360.0 -94.8 11.4 -5.7 10.7 4.6 135 141 A S < 0 0 106 -3,-3.0 -4,-0.1 -34,-0.2 -5,-0.1 -0.115 360.0 360.0-103.4 360.0 -5.1 8.7 1.5