==== 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 09-NOV-05 2EYM . 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) . 7580.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 88 65.2 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 . 31 23.0 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 . 7 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 8.9 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 . 1 2 1 1 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 0 104 0, 0.0 2,-0.3 0, 0.0 70,-0.1 0.000 360.0 360.0 360.0 146.4 0.3 36.6 21.2 2 8 A H - 0 0 126 68,-0.3 68,-0.5 69,-0.1 2,-0.4 -0.997 360.0-121.8-141.3 148.4 3.4 38.1 19.5 3 9 A K - 0 0 75 -2,-0.3 66,-0.2 66,-0.2 83,-0.0 -0.726 25.3-168.7 -89.5 136.7 6.1 36.7 17.2 4 10 A E E -A 68 0A 21 64,-2.4 64,-2.6 -2,-0.4 2,-0.1 -0.894 25.9-104.0-120.4 150.9 9.8 36.8 18.2 5 11 A P E +A 67 0A 96 0, 0.0 17,-0.4 0, 0.0 2,-0.3 -0.343 40.1 169.7 -73.6 153.1 12.9 36.1 16.0 6 12 A A E -A 66 0A 14 60,-1.8 60,-0.7 15,-0.1 2,-0.4 -0.957 25.2-127.2-152.2 170.8 14.9 32.9 16.1 7 13 A T E -B 20 0A 92 13,-1.8 13,-3.1 -2,-0.3 2,-0.2 -0.973 26.4-114.2-124.9 132.7 17.7 31.2 14.2 8 14 A L E +B 19 0A 45 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.400 34.5 165.8 -68.2 135.5 17.8 27.6 12.8 9 15 A I E - 0 0 73 9,-2.5 2,-0.3 1,-0.2 10,-0.2 0.760 66.7 -31.1-106.1 -59.1 20.3 25.2 14.2 10 16 A K E -B 18 0A 125 8,-1.8 8,-3.1 0, 0.0 2,-0.4 -0.954 49.0-125.0-159.8 140.5 19.0 21.8 13.0 11 17 A A E +B 17 0A 15 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.691 27.7 178.9 -78.3 138.2 15.7 20.1 12.0 12 18 A I - 0 0 47 4,-2.2 2,-0.3 1,-0.4 5,-0.2 0.850 55.2 -21.6-108.5 -41.7 15.2 16.9 13.9 13 19 A D S S- 0 0 5 3,-1.8 -1,-0.4 40,-0.1 3,-0.4 -0.882 77.8 -77.8-153.6 178.9 11.9 15.3 13.0 14 20 A G S S+ 0 0 1 22,-0.3 23,-0.1 -2,-0.3 83,-0.1 0.816 131.0 28.8 -57.8 -28.3 8.6 16.3 11.5 15 21 A D S S+ 0 0 5 20,-0.1 15,-2.7 1,-0.1 2,-0.4 0.392 114.6 64.8-117.9 1.3 7.4 17.8 14.9 16 22 A T E + C 0 29A 11 -3,-0.4 -4,-2.2 13,-0.2 -3,-1.8 -0.982 49.8 172.4-133.5 129.1 10.7 18.9 16.5 17 23 A V E -BC 11 28A 2 11,-2.2 11,-3.2 -2,-0.4 2,-0.5 -0.990 25.8-134.0-133.5 145.6 13.3 21.6 15.5 18 24 A K E +BC 10 27A 79 -8,-3.1 -9,-2.5 -2,-0.4 -8,-1.8 -0.885 34.1 173.4-101.1 127.6 16.4 22.9 17.3 19 25 A L E -BC 8 26A 1 7,-2.6 7,-2.4 -2,-0.5 2,-0.7 -0.888 38.2-119.8-130.2 153.6 16.7 26.7 17.3 20 26 A M E +BC 7 25A 59 -13,-3.1 -13,-1.8 -2,-0.3 2,-0.5 -0.873 39.7 178.8 -88.4 115.5 18.8 29.5 18.8 21 27 A Y E > - C 0 24A 26 3,-2.8 3,-1.1 -2,-0.7 -15,-0.1 -0.975 66.1 -13.4-125.0 122.2 16.3 31.7 20.8 22 28 A K T 3 S- 0 0 119 -2,-0.5 -1,-0.2 -17,-0.4 -16,-0.1 0.869 132.8 -50.4 58.6 36.8 17.5 34.8 22.7 23 29 A G T 3 S+ 0 0 66 1,-0.1 -1,-0.3 -3,-0.1 -3,-0.0 0.610 119.4 98.5 75.8 18.5 21.0 33.6 22.3 24 30 A Q E < S-C 21 0A 105 -3,-1.1 -3,-2.8 2,-0.0 2,-0.2 -0.990 71.5-116.0-140.9 142.2 20.6 30.0 23.5 25 31 A P E +C 20 0A 84 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.437 42.5 162.9 -66.3 131.4 20.1 26.6 21.9 26 32 A M E -C 19 0A 48 -7,-2.4 -7,-2.6 -2,-0.2 2,-0.4 -0.984 37.8-121.4-146.6 151.9 16.8 24.9 22.6 27 33 A T E -C 18 0A 42 -2,-0.3 55,-2.6 -9,-0.2 2,-0.4 -0.797 29.6-156.2 -85.5 130.8 14.7 22.1 21.2 28 34 A F E -Cd 17 82A 0 -11,-3.2 -11,-2.2 -2,-0.4 2,-0.5 -0.932 6.3-155.4-112.5 134.4 11.2 23.2 20.1 29 35 A R E -Cd 16 83A 22 53,-2.9 55,-1.6 -2,-0.4 2,-0.4 -0.909 29.4-116.3-100.9 128.3 8.1 20.9 19.8 30 36 A L E > - d 0 84A 3 -15,-2.7 3,-1.0 -2,-0.5 55,-0.2 -0.477 34.2-119.3 -67.6 119.8 5.4 22.1 17.4 31 37 A L T 3 S+ 0 0 16 53,-2.4 55,-0.1 -2,-0.4 -1,-0.1 -0.310 81.6 2.1 -60.0 140.2 2.1 22.9 19.3 32 38 A L T 3 S+ 0 0 7 75,-0.4 74,-2.2 74,-0.2 2,-0.4 0.411 104.1 99.8 73.3 7.3 -1.1 21.0 18.5 33 39 A V E < -H 105 0B 0 -3,-1.0 2,-0.5 72,-0.3 72,-0.2 -0.914 49.9-160.5-125.3 154.0 0.1 18.6 15.9 34 40 A D E -H 104 0B 40 70,-2.5 70,-2.2 -2,-0.4 3,-0.0 -0.934 13.7-170.9-127.4 113.8 1.1 15.0 15.7 35 41 A T - 0 0 0 -2,-0.5 68,-0.2 68,-0.2 -20,-0.1 -0.700 35.6 -99.4 -97.9 155.0 3.3 13.8 12.9 36 42 A P - 0 0 15 0, 0.0 2,-0.3 0, 0.0 -22,-0.3 -0.411 53.8-127.4 -64.6 150.8 4.2 10.2 12.1 37 43 A E - 0 0 44 1,-0.1 9,-2.4 -24,-0.1 12,-0.2 -0.733 31.1-168.4-116.3 159.8 7.7 9.6 13.5 38 44 A T S S+ 0 0 40 -2,-0.3 -1,-0.1 7,-0.2 -25,-0.0 0.606 75.4 66.6-106.0 -25.9 11.0 8.4 12.3 39 45 A K + 0 0 115 10,-0.1 5,-0.2 2,-0.0 4,-0.1 0.320 68.1 68.8 -74.7-152.3 12.7 8.1 15.7 40 46 A H > - 0 0 117 1,-0.2 4,-0.6 3,-0.1 3,-0.0 0.792 68.1-125.4 51.1 131.8 11.9 5.8 18.6 41 47 A P T 4 S+ 0 0 128 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 0.333 92.8 98.3 -85.2 7.4 12.5 2.0 18.6 42 48 A K T 4 S- 0 0 167 2,-0.2 3,-0.1 1,-0.1 -2,-0.1 0.950 121.4 -26.0 -49.7 -90.9 8.8 2.0 19.5 43 49 A K T 4 S- 0 0 139 1,-0.2 2,-1.0 -4,-0.1 -1,-0.1 0.569 90.0-147.5 -98.9 -11.2 7.6 1.3 16.0 44 50 A G < + 0 0 21 -4,-0.6 2,-0.5 -5,-0.2 -1,-0.2 -0.749 69.8 16.1 86.0 -96.3 10.7 2.9 14.6 45 51 A V S S- 0 0 92 -2,-1.0 2,-0.2 -3,-0.1 -7,-0.2 -0.956 72.9-158.7-114.7 123.6 9.6 4.5 11.3 46 52 A E > - 0 0 53 -9,-2.4 3,-2.4 -2,-0.5 2,-0.1 -0.671 37.7 -83.2 -96.5 153.6 5.9 5.0 10.6 47 53 A K T 3 S+ 0 0 173 1,-0.3 -1,-0.1 -2,-0.2 -10,-0.0 -0.385 119.5 17.0 -57.4 131.5 4.3 5.5 7.2 48 54 A Y T 3> S+ 0 0 44 -2,-0.1 4,-2.3 -13,-0.1 -1,-0.3 0.367 95.3 113.5 79.4 2.5 4.6 9.1 6.1 49 55 A G H <> S+ 0 0 0 -3,-2.4 4,-2.5 -12,-0.2 5,-0.2 0.958 75.5 44.9 -64.8 -51.1 7.3 9.7 8.8 50 56 A P H > S+ 0 0 71 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.907 115.1 51.5 -59.4 -34.3 10.2 10.3 6.4 51 57 A E H > S+ 0 0 97 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.926 109.6 46.3 -71.2 -45.3 7.9 12.6 4.3 52 58 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.929 113.0 51.9 -62.6 -39.2 6.8 14.7 7.2 53 59 A S H X S+ 0 0 31 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.941 110.5 46.9 -66.8 -41.4 10.3 15.0 8.4 54 60 A A H X S+ 0 0 50 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.836 109.2 56.4 -65.7 -30.9 11.6 16.2 5.0 55 61 A F H X S+ 0 0 62 -4,-1.9 4,-2.2 2,-0.2 5,-0.2 0.963 110.4 42.6 -62.0 -55.1 8.7 18.7 4.7 56 62 A T H X S+ 0 0 2 -4,-2.3 4,-2.2 1,-0.2 5,-0.3 0.939 112.9 53.9 -58.1 -45.4 9.6 20.4 7.9 57 63 A K H X S+ 0 0 75 -4,-2.2 4,-2.4 -5,-0.2 5,-0.2 0.912 111.3 44.2 -56.5 -48.5 13.3 20.3 7.1 58 64 A K H X S+ 0 0 93 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.884 110.5 54.9 -68.6 -37.3 12.9 22.0 3.7 59 65 A M H < S+ 0 0 39 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.908 117.0 35.0 -65.4 -41.5 10.5 24.7 5.0 60 66 A V H >< S+ 0 0 5 -4,-2.2 3,-0.8 -5,-0.2 -2,-0.2 0.846 115.3 54.0 -83.1 -29.3 12.8 25.9 7.8 61 67 A E H 3< S+ 0 0 84 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.805 112.2 44.9 -73.7 -24.4 16.1 25.5 5.9 62 68 A N T 3< S+ 0 0 123 -4,-1.4 -1,-0.2 -5,-0.2 2,-0.2 0.326 90.4 108.6 -98.5 3.5 15.0 27.5 3.0 63 69 A A < - 0 0 24 -3,-0.8 3,-0.1 -4,-0.2 -3,-0.0 -0.477 55.9-154.9 -81.8 149.2 13.4 30.4 4.9 64 70 A K S S+ 0 0 181 1,-0.3 2,-0.4 -2,-0.2 -1,-0.1 0.838 86.2 30.5 -87.9 -26.5 14.9 33.8 5.1 65 71 A K - 0 0 121 -58,-0.0 24,-2.9 2,-0.0 2,-0.4 -0.998 63.4-168.1-131.1 129.9 13.1 34.5 8.5 66 72 A I E -AE 6 88A 20 -60,-0.7 -60,-1.8 -2,-0.4 2,-0.3 -0.947 12.8-179.2-109.6 134.9 12.1 32.1 11.3 67 73 A E E -AE 5 87A 52 20,-2.1 20,-2.4 -2,-0.4 2,-0.4 -0.967 14.2-149.9-130.4 146.8 9.8 33.4 14.1 68 74 A V E -AE 4 86A 0 -64,-2.6 -64,-2.4 -2,-0.3 2,-0.5 -0.922 6.2-164.4-116.4 143.6 8.4 31.6 17.2 69 75 A E E - E 0 85A 13 16,-2.2 16,-2.4 -2,-0.4 -66,-0.2 -0.950 8.6-152.4-128.5 109.6 5.0 32.4 18.8 70 76 A F E - E 0 84A 19 -68,-0.5 -68,-0.3 -2,-0.5 14,-0.2 -0.445 15.4-131.9 -74.6 153.2 4.3 31.2 22.3 71 77 A D - 0 0 5 12,-0.5 41,-0.1 3,-0.2 -1,-0.1 -0.119 34.6 -92.2 -90.7-163.8 0.6 30.5 23.3 72 78 A K S S+ 0 0 131 39,-0.6 40,-0.1 -2,-0.1 3,-0.1 0.464 102.3 59.9-102.6 8.1 -0.8 31.8 26.5 73 79 A G S S- 0 0 21 1,-0.3 37,-0.1 38,-0.1 -2,-0.0 0.062 107.1 -23.5-101.2-147.3 -0.1 28.8 28.8 74 80 A Q - 0 0 132 1,-0.1 -1,-0.3 -2,-0.0 -3,-0.2 -0.344 50.0-151.5 -69.0 152.7 3.2 27.2 29.8 75 81 A R S S+ 0 0 142 -3,-0.1 8,-2.4 -5,-0.1 2,-0.3 0.502 73.7 42.1-104.4 -6.2 6.1 27.7 27.3 76 82 A T B S-F 82 0A 67 6,-0.3 6,-0.2 -48,-0.1 2,-0.1 -0.967 72.0-136.5-134.3 155.1 8.1 24.5 27.9 77 83 A D > - 0 0 28 4,-1.9 3,-1.7 -2,-0.3 -2,-0.1 -0.330 42.4 -83.5-100.2-172.5 7.1 20.8 28.4 78 84 A K T 3 S+ 0 0 181 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.698 127.3 55.2 -68.2 -15.2 8.3 18.2 30.9 79 85 A Y T 3 S- 0 0 169 2,-0.1 -1,-0.3 0, 0.0 0, 0.0 0.346 121.1-104.1 -96.5 4.8 11.3 17.4 28.6 80 86 A G S < S+ 0 0 46 -3,-1.7 2,-0.3 1,-0.3 -53,-0.2 0.586 73.3 145.0 88.6 1.8 12.5 20.9 28.5 81 87 A R - 0 0 66 -55,-0.1 -4,-1.9 1,-0.1 -1,-0.3 -0.525 53.2-115.5 -81.4 138.7 11.2 21.5 25.0 82 88 A G E -dF 28 76A 0 -55,-2.6 -53,-2.9 -2,-0.3 2,-0.6 -0.438 24.4-143.2 -62.9 141.0 9.8 24.9 23.9 83 89 A L E +d 29 0A 23 -8,-2.4 -12,-0.5 -55,-0.2 2,-0.3 -0.911 43.8 124.1-111.1 110.7 6.1 24.8 23.0 84 90 A A E -dE 30 70A 1 -55,-1.6 -53,-2.4 -2,-0.6 2,-0.4 -0.966 62.7-101.6-157.8 171.4 5.2 27.1 20.1 85 91 A Y E - E 0 69A 0 -16,-2.4 -16,-2.2 -2,-0.3 2,-0.5 -0.855 41.4-150.0 -92.6 128.7 3.8 28.0 16.7 86 92 A I E - E 0 68A 3 -2,-0.4 7,-3.0 -18,-0.2 8,-0.7 -0.960 9.1-163.2-110.2 131.1 6.7 28.3 14.2 87 93 A Y E -GE 92 67A 19 -20,-2.4 -20,-2.1 -2,-0.5 2,-0.5 -0.921 6.1-164.0-112.0 131.3 6.5 30.6 11.2 88 94 A A E > S-GE 91 66A 4 3,-2.6 3,-1.8 -2,-0.4 -22,-0.2 -0.981 84.5 -21.3-114.0 115.4 8.8 30.5 8.1 89 95 A D T 3 S- 0 0 46 -24,-2.9 -1,-0.2 -2,-0.5 -23,-0.1 0.890 130.7 -49.7 48.3 43.4 8.6 33.7 6.1 90 96 A G T 3 S+ 0 0 47 -25,-0.3 2,-0.4 1,-0.2 -1,-0.3 0.411 115.0 112.1 84.6 -6.3 5.3 34.4 7.7 91 97 A K E < S-G 88 0A 122 -3,-1.8 -3,-2.6 4,-0.0 2,-0.5 -0.896 70.6-119.3-101.4 133.2 3.6 31.0 7.1 92 98 A M E > -G 87 0A 15 -2,-0.4 4,-2.1 -5,-0.2 3,-0.3 -0.568 14.2-157.0 -77.9 120.3 2.9 28.7 10.1 93 99 A V H > S+ 0 0 1 -7,-3.0 4,-2.1 -2,-0.5 5,-0.2 0.889 92.6 58.2 -60.0 -39.2 4.8 25.4 9.8 94 100 A N H > S+ 0 0 0 -8,-0.7 4,-1.3 1,-0.2 -1,-0.2 0.911 109.4 42.4 -58.4 -41.7 2.2 23.8 12.1 95 101 A E H > S+ 0 0 46 -3,-0.3 4,-3.1 2,-0.2 -1,-0.2 0.888 109.4 58.7 -72.5 -40.7 -0.7 24.6 9.8 96 102 A A H X S+ 0 0 15 -4,-2.1 4,-1.7 1,-0.2 6,-0.2 0.911 105.3 49.3 -54.8 -46.0 1.2 23.7 6.6 97 103 A L H <>S+ 0 0 0 -4,-2.1 5,-2.5 1,-0.2 6,-0.5 0.938 113.8 45.1 -61.2 -42.8 1.8 20.1 7.8 98 104 A V H ><5S+ 0 0 0 -4,-1.3 3,-1.4 -5,-0.2 -2,-0.2 0.902 109.8 55.2 -69.2 -38.4 -1.8 19.6 8.7 99 105 A R H 3<5S+ 0 0 72 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.825 107.9 51.0 -62.9 -31.8 -3.0 21.2 5.4 100 106 A Q T 3<5S- 0 0 82 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.345 115.2-111.6 -85.6 0.5 -0.9 18.6 3.5 101 107 A G T < 5S+ 0 0 0 -3,-1.4 32,-2.5 2,-0.2 33,-0.2 0.817 88.6 115.2 72.1 24.7 -2.2 15.6 5.3 102 108 A L S - 0 0 159 -2,-0.8 3,-1.9 3,-0.4 -77,-0.0 -0.953 33.0 -96.2-119.1 107.2 -4.6 21.0 26.3 110 116 A K T 3 S+ 0 0 172 -2,-0.5 -2,-0.0 1,-0.3 0, 0.0 -0.320 101.9 26.8 -60.9 149.4 -6.1 24.3 27.4 111 117 A P T 3 S+ 0 0 65 0, 0.0 2,-1.6 0, 0.0 -39,-0.6 -0.952 113.4 66.9 -91.9 14.2 -5.0 27.1 27.7 112 118 A N S < S+ 0 0 14 -3,-1.9 -3,-0.4 1,-0.2 -80,-0.1 -0.494 76.6 97.5 -85.9 64.8 -2.5 26.3 24.9 113 119 A N > + 0 0 38 -2,-1.6 3,-1.7 -5,-0.1 4,-0.4 0.075 33.5 127.9-137.4 24.8 -5.3 26.0 22.3 114 120 A C T 3 S+ 0 0 54 1,-0.3 3,-0.2 -3,-0.3 4,-0.2 0.814 82.7 34.0 -64.6 -33.1 -5.3 29.5 20.6 115 121 A H T 3> S+ 0 0 40 1,-0.2 4,-2.3 2,-0.1 -1,-0.3 0.217 85.0 111.6-103.7 18.9 -5.1 28.2 17.0 116 122 A E H <> S+ 0 0 47 -3,-1.7 4,-2.5 1,-0.2 5,-0.2 0.915 76.0 50.0 -61.2 -48.1 -7.1 25.0 17.5 117 123 A Q H > S+ 0 0 157 -4,-0.4 4,-1.4 -3,-0.2 -1,-0.2 0.903 111.3 49.4 -52.8 -50.0 -10.1 26.1 15.5 118 124 A H H > S+ 0 0 96 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.882 112.2 47.3 -58.7 -45.1 -8.0 27.2 12.5 119 125 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.903 108.2 53.8 -70.6 -35.6 -6.0 23.9 12.5 120 126 A R H X S+ 0 0 96 -4,-2.5 4,-1.8 -5,-0.2 -1,-0.2 0.845 107.4 53.7 -62.0 -30.8 -9.1 21.7 12.7 121 127 A K H X S+ 0 0 125 -4,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.908 109.4 46.9 -66.9 -45.3 -10.4 23.6 9.7 122 128 A S H X S+ 0 0 10 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.822 110.8 52.4 -63.2 -39.2 -7.2 22.8 7.7 123 129 A E H X S+ 0 0 23 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.846 106.1 53.1 -66.9 -40.1 -7.4 19.1 8.8 124 130 A A H X S+ 0 0 19 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.926 110.1 49.0 -60.4 -46.0 -11.0 18.8 7.6 125 131 A Q H X S+ 0 0 76 -4,-1.8 4,-2.4 1,-0.2 5,-0.2 0.957 109.7 50.3 -60.0 -48.9 -9.9 20.1 4.2 126 132 A A H <>S+ 0 0 0 -4,-2.2 5,-2.0 1,-0.2 -1,-0.2 0.859 112.2 48.3 -58.0 -33.9 -6.9 17.7 3.9 127 133 A K H ><5S+ 0 0 81 -4,-1.8 3,-0.9 3,-0.2 -1,-0.2 0.925 110.0 51.6 -70.3 -43.9 -9.3 14.8 4.8 128 134 A K H 3<5S+ 0 0 125 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.813 112.3 46.1 -56.8 -41.0 -11.8 15.9 2.2 129 135 A E T 3<5S- 0 0 83 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.461 108.9-131.1 -84.5 -2.1 -9.0 16.1 -0.4 130 136 A K T < 5 + 0 0 139 -3,-0.9 2,-0.2 -5,-0.2 -3,-0.2 0.812 40.4 178.9 57.4 36.8 -7.8 12.6 0.8 131 137 A L > < - 0 0 48 -5,-2.0 3,-2.6 3,-0.2 -1,-0.2 -0.531 44.1 -55.1 -78.2 136.1 -4.2 13.7 1.1 132 138 A N G > S+ 0 0 55 1,-0.3 3,-1.7 2,-0.3 -30,-0.2 -0.085 134.4 27.5 47.2-101.0 -1.2 11.5 2.2 133 139 A I G 3 S+ 0 0 46 -32,-2.5 -1,-0.3 1,-0.3 -31,-0.1 0.882 130.2 44.9 -56.4 -35.6 -2.2 10.2 5.7 134 140 A W G < 0 0 67 -3,-2.6 -1,-0.3 -33,-0.2 -2,-0.3 0.457 360.0 360.0 -87.9 -2.9 -5.9 10.4 4.7 135 141 A S < 0 0 95 -3,-1.7 -1,-0.1 -34,-0.2 -4,-0.1 -0.112 360.0 360.0 -50.8 360.0 -5.3 8.9 1.2