==== 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 2EYJ . COMPND 2 MOLECULE: STAPHYLOCOCCAL NUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR J.Z.LU,J.SAKON,W.E.STITES . 136 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7833.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 96 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 25.0 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 . 3 2.2 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 . 13 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 20.6 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 6 A K 0 0 229 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 177.9 -14.9 21.8 7.5 2 7 A L - 0 0 39 68,-0.1 2,-0.3 1,-0.0 70,-0.1 -0.366 360.0-157.8 -71.4 160.1 -12.5 24.4 6.3 3 8 A H - 0 0 118 68,-0.3 68,-0.5 69,-0.1 2,-0.4 -0.997 12.6-124.6-139.4 149.4 -14.0 27.6 4.7 4 9 A K E -A 70 0A 79 -2,-0.3 66,-0.2 66,-0.2 83,-0.1 -0.706 23.2-167.6 -89.4 138.4 -12.6 30.2 2.4 5 10 A E E -A 69 0A 21 64,-2.9 64,-2.8 -2,-0.4 2,-0.1 -0.944 24.6-108.9-122.4 147.5 -12.7 33.9 3.3 6 11 A P E +A 68 0A 103 0, 0.0 17,-0.4 0, 0.0 2,-0.3 -0.352 38.7 170.0 -75.9 151.8 -12.0 36.9 1.0 7 12 A A E -A 67 0A 12 60,-2.4 60,-0.7 15,-0.1 2,-0.4 -0.967 26.4-125.2-148.3 169.5 -8.9 39.0 1.2 8 13 A T E -B 21 0A 97 13,-1.8 13,-2.7 -2,-0.3 2,-0.1 -0.954 29.3-110.6-124.8 136.4 -7.2 41.7 -0.8 9 14 A L E +B 20 0A 43 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.362 36.7 167.4 -63.4 134.7 -3.7 41.6 -2.2 10 15 A I E - 0 0 67 9,-2.4 2,-0.3 1,-0.2 10,-0.2 0.703 66.8 -32.9-108.5 -53.7 -1.4 44.1 -0.5 11 16 A K E -B 19 0A 123 8,-2.3 8,-3.0 0, 0.0 2,-0.5 -0.937 47.3-125.3-163.3 138.1 1.9 42.8 -1.8 12 17 A A E +B 18 0A 14 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.767 29.3 179.2 -81.5 132.0 3.6 39.5 -2.8 13 18 A I - 0 0 41 4,-1.7 2,-0.3 -2,-0.5 5,-0.2 0.735 55.0 -26.6-105.5 -31.7 6.8 39.3 -0.8 14 19 A D S S- 0 0 3 3,-2.1 -1,-0.3 40,-0.1 3,-0.3 -0.937 76.9 -74.3-166.0-177.2 8.5 36.0 -1.8 15 20 A G S S+ 0 0 0 -2,-0.3 23,-0.1 22,-0.3 83,-0.1 0.761 131.0 29.0 -64.4 -24.9 7.7 32.5 -3.1 16 21 A D S S+ 0 0 4 1,-0.1 15,-2.8 20,-0.1 2,-0.4 0.424 116.1 62.2-119.0 2.7 6.2 31.4 0.2 17 22 A T E + C 0 30A 9 -3,-0.3 -3,-2.1 13,-0.2 -4,-1.7 -0.993 49.0 171.8-137.3 134.3 4.9 34.7 1.7 18 23 A V E -BC 12 29A 1 11,-2.2 11,-3.0 -2,-0.4 2,-0.5 -0.996 25.8-134.4-137.1 143.6 2.3 37.2 0.7 19 24 A K E +BC 11 28A 78 -8,-3.0 -9,-2.4 -2,-0.3 -8,-2.3 -0.878 32.7 176.0 -99.1 128.1 0.9 40.3 2.5 20 25 A L E -BC 9 27A 0 7,-2.6 7,-3.0 -2,-0.5 2,-0.7 -0.870 37.4-117.8-128.2 157.4 -2.9 40.6 2.4 21 26 A M E +BC 8 26A 70 -13,-2.7 -13,-1.8 -2,-0.3 2,-0.5 -0.890 41.1 179.8 -91.5 117.2 -5.7 42.8 3.8 22 27 A Y E > - C 0 25A 17 3,-2.9 3,-1.6 -2,-0.7 -15,-0.1 -0.971 65.1 -16.7-129.8 116.9 -7.7 40.4 5.9 23 28 A K T 3 S- 0 0 160 -2,-0.5 -1,-0.2 -17,-0.4 -16,-0.1 0.920 130.0 -51.5 54.5 46.9 -10.8 41.5 7.8 24 29 A G T 3 S+ 0 0 63 1,-0.1 -1,-0.3 -3,-0.1 -3,-0.0 0.364 120.3 100.8 73.1 1.4 -9.6 45.1 7.4 25 30 A Q E < S-C 22 0A 124 -3,-1.6 -3,-2.9 2,-0.0 2,-0.3 -0.956 74.1-119.0-120.7 136.2 -6.1 44.5 8.7 26 31 A P E +C 21 0A 64 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.536 43.1 173.1 -67.5 130.9 -2.8 44.1 6.9 27 32 A M E -C 20 0A 45 -7,-3.0 -7,-2.6 -2,-0.3 2,-0.4 -0.993 31.7-127.0-141.3 142.9 -1.3 40.7 7.7 28 33 A T E -C 19 0A 42 -2,-0.3 55,-2.6 53,-0.3 2,-0.4 -0.808 27.3-156.9 -87.8 132.2 1.6 38.6 6.4 29 34 A F E -Cd 18 83A 0 -11,-3.0 -11,-2.2 -2,-0.4 2,-0.5 -0.955 9.3-153.8-117.8 132.2 0.7 35.1 5.3 30 35 A R E -Cd 17 84A 35 53,-2.9 55,-1.7 -2,-0.4 2,-0.5 -0.858 31.6-116.3 -92.5 127.2 3.0 32.0 5.1 31 36 A L E > - d 0 85A 1 -15,-2.8 3,-1.1 -2,-0.5 55,-0.2 -0.570 36.6-120.7 -68.6 117.8 1.8 29.5 2.5 32 37 A L T 3 S+ 0 0 11 53,-2.7 55,-0.1 -2,-0.5 -1,-0.1 -0.306 80.9 3.7 -61.4 142.9 0.9 26.3 4.4 33 38 A L T 3 S+ 0 0 13 75,-0.2 74,-2.3 1,-0.1 2,-0.4 0.373 102.8 103.7 72.5 8.3 2.6 23.0 3.6 34 39 A V E < -H 106 0B 0 -3,-1.1 2,-0.6 72,-0.3 72,-0.2 -0.931 49.2-161.8-124.7 141.4 5.1 24.2 1.0 35 40 A D E -H 105 0B 65 70,-3.3 70,-2.9 -2,-0.4 3,-0.0 -0.969 21.1-176.3-108.5 122.6 8.8 25.0 1.0 36 41 A T - 0 0 8 -2,-0.6 68,-0.2 68,-0.2 -20,-0.1 -0.809 37.6 -96.9-109.7 154.9 9.9 27.2 -1.9 37 42 A P - 0 0 12 0, 0.0 2,-0.3 0, 0.0 -22,-0.3 -0.429 54.6-137.9 -58.3 145.1 13.4 28.3 -2.9 38 43 A E - 0 0 43 1,-0.1 9,-2.7 -24,-0.1 12,-0.3 -0.787 32.3-162.3-114.9 156.0 13.6 31.8 -1.4 39 44 A T S S+ 0 0 38 -2,-0.3 -1,-0.1 11,-0.3 -25,-0.1 0.630 100.6 48.3 -96.0 -21.3 14.9 35.2 -2.5 40 45 A K S S+ 0 0 136 10,-0.1 6,-0.2 6,-0.1 -1,-0.1 -0.391 75.6 164.5-114.0 47.8 14.9 36.2 1.2 41 46 A H B > -I 45 0C 50 4,-3.1 4,-0.9 -3,-0.2 5,-0.0 -0.574 38.0-138.3 -73.7 129.5 16.7 33.3 2.8 42 47 A P T 4 S+ 0 0 110 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 0.807 99.4 9.5 -58.7 -34.9 17.8 34.3 6.3 43 48 A K T 4 S+ 0 0 190 2,-0.1 -2,-0.1 -3,-0.0 0, 0.0 0.748 136.2 42.3-107.7 -49.3 21.2 32.5 5.8 44 49 A K T 4 S- 0 0 119 1,-0.2 2,-0.8 -4,-0.0 -4,-0.0 0.843 80.5-161.5 -73.6 -36.6 21.3 31.6 2.1 45 50 A G B < +I 41 0C 28 -4,-0.9 -4,-3.1 2,-0.0 2,-0.6 -0.803 67.0 11.6 88.2-111.9 19.9 34.8 0.6 46 51 A V S S- 0 0 87 -2,-0.8 -7,-0.2 -6,-0.2 2,-0.1 -0.891 76.7-166.9-110.7 108.1 18.8 34.0 -3.0 47 52 A E > - 0 0 50 -9,-2.7 3,-2.0 -2,-0.6 2,-0.1 -0.443 36.4 -75.3 -89.6 166.3 18.6 30.3 -3.9 48 53 A K T 3 S+ 0 0 158 1,-0.3 -1,-0.1 2,-0.2 -10,-0.0 -0.393 121.4 11.9 -58.9 126.8 18.2 28.6 -7.3 49 54 A Y T 3> S+ 0 0 40 -2,-0.1 4,-2.4 -3,-0.1 -1,-0.3 0.381 96.6 114.4 77.3 -0.5 14.6 28.9 -8.6 50 55 A G H <> S+ 0 0 0 -3,-2.0 4,-2.4 -12,-0.3 -11,-0.3 0.963 76.6 45.2 -63.9 -53.7 13.9 31.5 -5.8 51 56 A P H > S+ 0 0 61 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.920 115.4 49.2 -54.1 -42.1 13.3 34.3 -8.3 52 57 A E H > S+ 0 0 93 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.888 111.1 47.1 -66.8 -40.6 11.1 32.0 -10.5 53 58 A A H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 5,-0.2 0.888 115.0 48.0 -68.7 -36.1 9.0 30.8 -7.6 54 59 A S H X S+ 0 0 26 -4,-2.4 4,-1.8 -5,-0.3 -2,-0.2 0.924 110.1 50.8 -71.3 -38.9 8.6 34.3 -6.4 55 60 A A H X S+ 0 0 48 -4,-2.6 4,-2.4 -5,-0.2 5,-0.3 0.885 107.8 56.1 -61.8 -41.6 7.7 35.6 -9.9 56 61 A F H X S+ 0 0 53 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.937 109.3 41.7 -61.7 -45.3 5.1 32.9 -10.3 57 62 A V H X S+ 0 0 0 -4,-1.8 4,-2.9 2,-0.2 5,-0.3 0.916 112.6 56.6 -78.4 -25.6 3.1 33.7 -7.1 58 63 A K H X S+ 0 0 91 -4,-1.8 4,-2.9 -5,-0.2 5,-0.3 0.962 111.2 42.7 -56.3 -51.7 3.4 37.5 -7.9 59 64 A K H X S+ 0 0 137 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.943 114.6 51.1 -58.7 -49.7 1.8 37.0 -11.3 60 65 A M H < S+ 0 0 37 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.916 118.3 35.4 -59.2 -44.4 -0.8 34.6 -10.0 61 66 A V H >< S+ 0 0 3 -4,-2.9 3,-0.7 -5,-0.2 -1,-0.2 0.824 115.8 53.1 -85.9 -27.0 -2.0 36.9 -7.2 62 67 A E H 3< S+ 0 0 93 -4,-2.9 -2,-0.2 -5,-0.3 -1,-0.2 0.822 112.8 45.2 -75.8 -25.3 -1.6 40.2 -9.0 63 68 A N T 3< S+ 0 0 125 -4,-1.9 -1,-0.2 -5,-0.3 2,-0.2 0.290 91.3 110.6 -98.1 9.0 -3.7 39.1 -11.9 64 69 A A < - 0 0 23 -3,-0.7 3,-0.2 1,-0.1 -3,-0.0 -0.547 54.7-156.2 -88.3 149.5 -6.5 37.5 -9.9 65 70 A K S S+ 0 0 187 1,-0.3 2,-0.4 -2,-0.2 -1,-0.1 0.876 85.8 28.6 -81.9 -40.2 -10.0 38.8 -9.6 66 71 A K - 0 0 131 -58,-0.0 24,-3.1 2,-0.0 2,-0.4 -0.995 63.4-168.4-130.3 124.7 -10.6 37.1 -6.3 67 72 A I E -AE 7 89A 14 -60,-0.7 -60,-2.4 -2,-0.4 2,-0.3 -0.915 13.2-178.8-107.0 134.2 -8.2 36.2 -3.5 68 73 A E E -AE 6 88A 48 20,-2.2 20,-3.1 -2,-0.4 2,-0.4 -0.973 15.0-148.5-130.2 149.9 -9.4 33.9 -0.7 69 74 A V E -AE 5 87A 0 -64,-2.8 -64,-2.9 -2,-0.3 2,-0.4 -0.927 7.0-165.0-117.5 143.3 -7.7 32.5 2.3 70 75 A E E -AE 4 86A 10 16,-2.4 16,-2.8 -2,-0.4 -66,-0.2 -0.958 8.4-153.6-130.2 108.6 -8.4 29.2 3.9 71 76 A F E - E 0 85A 15 -68,-0.5 -68,-0.3 -2,-0.4 14,-0.2 -0.471 16.0-131.1 -73.7 154.0 -7.1 28.4 7.4 72 77 A D - 0 0 4 12,-0.6 41,-0.1 3,-0.3 -1,-0.1 -0.170 32.6 -91.8 -92.1-168.9 -6.5 24.8 8.4 73 78 A K S S+ 0 0 123 39,-0.7 40,-0.2 -2,-0.1 3,-0.1 0.570 102.6 52.7 -88.3 -10.1 -7.8 23.1 11.7 74 79 A G S S- 0 0 21 1,-0.3 37,-0.1 38,-0.1 -2,-0.0 0.177 107.7 -15.2 -98.6-148.4 -4.7 23.9 13.9 75 80 A Q - 0 0 129 1,-0.1 -1,-0.3 -4,-0.0 -3,-0.3 -0.299 50.6-157.0 -54.6 138.5 -2.8 27.0 14.8 76 81 A R S S+ 0 0 137 -3,-0.1 8,-2.3 -5,-0.1 2,-0.3 0.460 73.0 42.6-103.8 -3.2 -3.5 29.9 12.5 77 82 A T B S-F 83 0A 82 6,-0.3 6,-0.2 -48,-0.1 2,-0.1 -0.992 71.9-138.9-138.3 149.3 -0.3 31.9 13.0 78 83 A D > - 0 0 35 4,-2.0 3,-1.7 -2,-0.3 -2,-0.1 -0.287 44.5 -84.1 -92.3-171.6 3.3 30.9 13.3 79 84 A K T 3 S+ 0 0 175 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.664 126.7 57.8 -72.8 -12.2 5.9 32.3 15.8 80 85 A Y T 3 S- 0 0 163 2,-0.1 -1,-0.3 0, 0.0 0, 0.0 0.383 119.9-105.6 -96.2 5.0 6.7 35.2 13.5 81 86 A G S < S+ 0 0 49 -3,-1.7 2,-0.3 1,-0.3 -53,-0.3 0.557 73.4 142.7 89.9 -0.6 3.1 36.4 13.6 82 87 A R - 0 0 58 -55,-0.1 -4,-2.0 1,-0.1 -1,-0.3 -0.597 55.2-114.2 -79.2 134.8 2.3 35.2 10.0 83 88 A G E -dF 29 77A 0 -55,-2.6 -53,-2.9 -2,-0.3 2,-0.6 -0.339 24.4-138.2 -56.9 145.0 -1.1 33.7 9.2 84 89 A L E +d 30 0A 27 -8,-2.3 -12,-0.6 -55,-0.2 2,-0.3 -0.943 46.7 131.2-111.3 109.1 -0.8 30.0 8.2 85 90 A A E -dE 31 71A 0 -55,-1.7 -53,-2.7 -2,-0.6 2,-0.5 -0.962 61.7-107.2-154.8 165.3 -3.1 29.3 5.2 86 91 A Y E - E 0 70A 0 -16,-2.8 -16,-2.4 -2,-0.3 2,-0.4 -0.871 41.7-150.7 -91.9 129.4 -4.0 27.9 1.8 87 92 A I E - E 0 69A 0 -2,-0.5 7,-2.5 -18,-0.2 8,-0.7 -0.934 8.4-160.5-107.5 134.9 -4.3 30.9 -0.5 88 93 A Y E -GE 93 68A 19 -20,-3.1 -20,-2.2 -2,-0.4 2,-0.5 -0.949 8.5-164.9-117.8 134.6 -6.6 30.8 -3.6 89 94 A A E > S-GE 92 67A 4 3,-2.7 3,-2.1 -2,-0.4 -22,-0.2 -0.989 83.3 -24.1-115.3 114.7 -6.4 33.0 -6.7 90 95 A D T 3 S- 0 0 56 -24,-3.1 -1,-0.1 -2,-0.5 -23,-0.1 0.891 129.6 -47.8 46.3 47.2 -9.7 32.8 -8.8 91 96 A G T 3 S+ 0 0 53 -25,-0.4 2,-0.5 1,-0.2 -1,-0.3 0.380 115.3 115.1 86.3 -10.4 -10.4 29.4 -7.3 92 97 A K E < -G 89 0A 129 -3,-2.1 -3,-2.7 1,-0.0 2,-0.5 -0.848 68.5-124.7-100.5 129.4 -6.9 28.0 -7.9 93 98 A M E > -G 88 0A 19 -2,-0.5 4,-2.5 -5,-0.2 -5,-0.3 -0.496 13.8-156.9 -73.3 117.9 -4.8 27.1 -4.8 94 99 A V H > S+ 0 0 1 -7,-2.5 4,-2.3 -2,-0.5 5,-0.2 0.887 91.4 57.5 -60.2 -36.6 -1.5 28.9 -5.1 95 100 A N H > S+ 0 0 0 -8,-0.7 4,-1.4 1,-0.2 -1,-0.2 0.946 110.7 41.2 -63.8 -42.3 0.2 26.4 -2.8 96 101 A E H > S+ 0 0 40 2,-0.2 4,-3.4 1,-0.2 5,-0.2 0.894 110.3 58.8 -70.1 -39.2 -0.7 23.5 -5.1 97 102 A A H X S+ 0 0 18 -4,-2.5 4,-1.9 1,-0.2 6,-0.2 0.949 105.8 49.0 -56.1 -45.7 0.1 25.4 -8.2 98 103 A L H <>S+ 0 0 0 -4,-2.3 5,-2.9 1,-0.2 6,-0.5 0.898 114.7 44.6 -59.2 -41.9 3.7 26.0 -7.0 99 104 A V H ><5S+ 0 0 0 -4,-1.4 3,-1.6 -5,-0.2 -1,-0.2 0.911 109.9 54.9 -71.7 -39.3 4.1 22.3 -6.2 100 105 A R H 3<5S+ 0 0 70 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.862 108.4 50.7 -62.1 -31.3 2.5 21.2 -9.5 101 106 A Q T 3<5S- 0 0 80 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.399 116.0-111.6 -86.6 0.1 5.1 23.4 -11.4 102 107 A G T < 5S+ 0 0 0 -3,-1.6 32,-1.9 -4,-0.2 33,-0.3 0.830 88.0 116.7 72.9 26.8 8.1 22.0 -9.6 103 108 A L S - 0 0 177 3,-0.5 3,-2.6 -2,-0.4 -36,-0.1 -0.914 35.5-101.2-116.5 105.1 2.6 19.3 11.6 111 116 A K T 3 S+ 0 0 158 -2,-0.6 0, 0.0 1,-0.3 0, 0.0 -0.324 101.2 25.8 -63.4 150.4 -0.8 17.8 12.4 112 117 A P T 3 S+ 0 0 54 0, 0.0 2,-1.5 0, 0.0 -39,-0.7 -0.880 110.3 72.3 -96.0 26.7 -3.4 18.9 12.5 113 118 A N S < S+ 0 0 10 -3,-2.6 -3,-0.5 1,-0.2 -80,-0.1 -0.519 77.9 92.0 -88.5 65.8 -2.4 21.5 9.9 114 119 A N > + 0 0 29 -2,-1.5 3,-2.0 -5,-0.1 4,-0.4 0.114 34.1 128.2-145.8 18.6 -2.4 18.9 7.2 115 120 A T T 3 S+ 0 0 49 -3,-0.4 3,-0.3 1,-0.3 4,-0.3 0.868 85.0 34.8 -51.8 -42.6 -5.8 18.8 5.5 116 121 A H T 3> S+ 0 0 37 1,-0.2 4,-2.3 2,-0.1 -1,-0.3 0.176 85.4 112.8-100.2 24.3 -4.5 19.1 2.0 117 122 A E H <> S+ 0 0 35 -3,-2.0 4,-2.7 2,-0.2 5,-0.2 0.936 77.3 45.0 -61.1 -47.9 -1.3 17.1 2.5 118 123 A Q H > S+ 0 0 127 -4,-0.4 4,-2.3 -3,-0.3 5,-0.2 0.950 112.1 52.6 -64.8 -44.0 -2.2 14.2 0.3 119 124 A H H > S+ 0 0 94 -4,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.923 112.6 44.9 -53.9 -46.1 -3.5 16.4 -2.5 120 125 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.903 109.7 54.8 -67.9 -39.9 -0.2 18.4 -2.5 121 126 A R H X S+ 0 0 90 -4,-2.7 4,-2.1 -5,-0.2 -1,-0.2 0.885 105.9 52.7 -64.8 -32.4 1.9 15.2 -2.3 122 127 A K H X S+ 0 0 132 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.925 109.1 49.2 -66.4 -40.6 0.2 13.9 -5.4 123 128 A S H X S+ 0 0 12 -4,-1.7 4,-2.5 1,-0.2 5,-0.2 0.884 110.6 51.6 -66.5 -32.2 0.9 17.1 -7.3 124 129 A E H X S+ 0 0 23 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.911 105.5 53.5 -69.2 -38.6 4.5 16.8 -6.2 125 130 A A H X S+ 0 0 48 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.932 111.0 48.9 -56.6 -45.4 4.9 13.2 -7.4 126 131 A Q H X S+ 0 0 71 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.944 109.2 49.1 -64.2 -46.3 3.6 14.4 -10.8 127 132 A A H <>S+ 0 0 0 -4,-2.5 5,-1.9 2,-0.2 4,-0.4 0.884 112.4 51.1 -63.2 -28.9 6.0 17.4 -11.0 128 133 A K H ><5S+ 0 0 95 -4,-2.0 3,-1.2 -5,-0.2 -2,-0.2 0.956 109.5 48.7 -68.7 -46.2 8.8 15.0 -10.1 129 134 A K H 3<5S+ 0 0 161 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.861 112.3 48.9 -58.0 -40.1 7.7 12.5 -12.8 130 135 A E T 3<5S- 0 0 82 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.495 105.7-132.1 -82.1 0.3 7.6 15.4 -15.3 131 136 A K T < 5 + 0 0 152 -3,-1.2 2,-0.3 -4,-0.4 -3,-0.2 0.864 41.5 176.9 51.9 43.7 11.1 16.6 -14.2 132 137 A L > < - 0 0 47 -5,-1.9 3,-2.9 3,-0.1 -1,-0.2 -0.624 45.0 -55.3 -84.4 135.0 9.9 20.2 -13.9 133 138 A N G > S+ 0 0 51 -2,-0.3 3,-4.1 1,-0.3 -30,-0.2 -0.045 134.8 27.0 47.9-115.7 12.2 23.0 -12.6 134 139 A I G 3 S+ 0 0 39 -32,-1.9 -1,-0.3 1,-0.3 -31,-0.1 0.734 127.6 50.5 -45.1 -28.3 13.5 22.1 -9.2 135 140 A W G < 0 0 69 -3,-2.9 -1,-0.3 -33,-0.3 -2,-0.2 0.416 360.0 360.0 -96.2 3.3 13.1 18.4 -10.3 136 141 A S < 0 0 106 -3,-4.1 -2,-0.2 -34,-0.2 -1,-0.2 0.620 360.0 360.0 -83.8 360.0 15.0 18.9 -13.5