==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-MAY-08 3D6C . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR M.J.HARMS,J.L.SCHLESSMAN,G.R.SUE,GARCIA-MORENO E.B. . 135 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7678.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 87 64.4 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 . 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 . 11 8.1 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 99 0, 0.0 2,-0.3 0, 0.0 70,-0.1 0.000 360.0 360.0 360.0 150.9 1.3 -37.3 -7.0 2 8 A H - 0 0 125 68,-0.4 68,-0.5 69,-0.0 2,-0.3 -0.996 360.0-119.4-145.7 149.8 4.4 -38.5 -5.2 3 9 A K - 0 0 84 -2,-0.3 66,-0.2 66,-0.2 83,-0.1 -0.694 26.0-164.7 -90.7 137.6 6.9 -37.0 -2.8 4 10 A E E -A 68 0A 21 64,-3.2 64,-2.9 -2,-0.3 2,-0.0 -0.931 25.0-106.0-121.0 144.5 10.6 -37.0 -3.9 5 11 A P E +A 67 0A 92 0, 0.0 17,-0.4 0, 0.0 2,-0.3 -0.348 42.3 167.3 -65.7 149.9 13.6 -36.4 -1.6 6 12 A A E -A 66 0A 13 60,-2.0 60,-0.8 15,-0.1 2,-0.4 -0.947 27.3-127.8-152.5 166.9 15.4 -33.1 -1.7 7 13 A T E -B 20 0A 92 13,-2.0 13,-3.4 -2,-0.3 2,-0.2 -0.974 25.4-115.8-122.1 133.5 18.1 -31.3 0.4 8 14 A L E +B 19 0A 41 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.462 35.5 165.9 -62.9 134.0 17.8 -27.8 1.7 9 15 A I E - 0 0 79 9,-2.6 2,-0.3 -2,-0.2 10,-0.2 0.699 68.1 -18.6-104.6 -55.5 20.4 -25.4 0.4 10 16 A K E -B 18 0A 135 8,-2.0 8,-3.5 50,-0.0 2,-0.4 -0.917 49.9-132.7-158.0 128.3 18.9 -22.0 1.5 11 17 A A E -B 17 0A 12 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.654 25.7-178.7 -71.4 126.8 15.6 -20.6 2.6 12 18 A I - 0 0 60 4,-1.9 2,-0.2 -2,-0.4 5,-0.2 0.882 56.1 -38.7 -99.0 -51.4 15.1 -17.4 0.6 13 19 A D S S- 0 0 12 3,-2.1 -1,-0.4 39,-0.1 3,-0.2 -0.808 83.1 -58.0-153.9-172.1 11.8 -16.0 1.9 14 20 A G S S+ 0 0 0 22,-0.3 83,-0.1 35,-0.3 23,-0.1 0.829 131.7 18.1 -39.1 -41.8 8.4 -17.2 3.0 15 21 A D S S+ 0 0 6 21,-0.1 15,-3.1 20,-0.1 2,-0.4 0.331 114.3 70.6-124.7 6.1 7.5 -19.0 -0.3 16 22 A T E + C 0 29A 12 -3,-0.2 -3,-2.1 13,-0.2 -4,-1.9 -0.993 51.8 165.9-133.3 128.6 10.8 -19.5 -2.2 17 23 A V E -BC 11 28A 1 11,-2.3 11,-3.4 -2,-0.4 2,-0.5 -0.987 32.0-127.4-140.5 148.2 13.6 -21.9 -1.2 18 24 A K E +BC 10 27A 68 -8,-3.5 -9,-2.6 -2,-0.3 -8,-2.0 -0.880 36.3 177.1 -99.6 131.2 16.7 -23.2 -2.8 19 25 A L E -BC 8 26A 0 7,-2.9 7,-2.5 -2,-0.5 2,-0.7 -0.884 37.7-119.2-128.0 155.9 17.0 -27.0 -2.8 20 26 A M E +BC 7 25A 72 -13,-3.4 -13,-2.0 -2,-0.3 2,-0.5 -0.895 41.8 178.9 -89.0 115.0 19.3 -29.8 -4.1 21 27 A Y E > - C 0 24A 43 3,-2.5 3,-2.0 -2,-0.7 -15,-0.1 -0.989 66.1 -16.4-126.2 122.7 16.9 -31.8 -6.3 22 28 A K T 3 S- 0 0 142 -2,-0.5 -1,-0.1 -17,-0.4 -16,-0.1 0.833 128.6 -54.6 50.1 39.4 18.2 -34.8 -8.2 23 29 A G T 3 S+ 0 0 56 1,-0.2 -1,-0.3 -3,-0.0 -3,-0.0 0.402 120.3 98.1 83.5 -2.9 21.8 -33.7 -7.5 24 30 A Q E < S-C 21 0A 142 -3,-2.0 -3,-2.5 2,-0.0 -1,-0.2 -0.959 76.5-115.1-119.7 136.8 21.3 -30.2 -9.0 25 31 A P E +C 20 0A 70 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.464 43.7 170.2 -68.3 138.5 20.7 -26.9 -7.1 26 32 A M E -C 19 0A 46 -7,-2.5 -7,-2.9 -2,-0.2 2,-0.5 -0.996 34.6-122.9-150.1 141.3 17.3 -25.4 -8.0 27 33 A T E -C 18 0A 31 -2,-0.3 55,-2.8 53,-0.3 2,-0.4 -0.781 29.7-160.3 -83.7 129.1 15.0 -22.6 -6.7 28 34 A F E -Cd 17 82A 0 -11,-3.4 -11,-2.3 -2,-0.5 2,-0.4 -0.900 6.9-158.6-110.4 138.9 11.5 -23.8 -5.7 29 35 A R E -Cd 16 83A 16 53,-3.2 55,-1.2 -2,-0.4 -13,-0.2 -0.967 30.7-109.9-113.8 131.1 8.5 -21.7 -5.4 30 36 A L E > - d 0 84A 2 -15,-3.1 3,-0.9 -2,-0.4 55,-0.2 -0.415 34.6-120.8 -68.3 126.7 5.6 -22.9 -3.2 31 37 A L T 3 S+ 0 0 10 53,-2.2 55,-0.1 1,-0.2 -1,-0.1 -0.311 82.3 2.0 -66.3 142.1 2.5 -24.0 -5.1 32 38 A E T 3 S+ 0 0 4 75,-0.4 74,-1.4 1,-0.2 2,-0.3 0.512 112.0 84.9 68.9 11.0 -0.9 -22.4 -4.6 33 39 A V E < -H 105 0B 0 -3,-0.9 2,-0.3 72,-0.3 72,-0.2 -0.874 54.7-156.2-136.1 166.1 0.2 -19.9 -1.9 34 40 A D E -H 104 0B 40 70,-1.6 70,-1.9 -2,-0.3 3,-0.1 -0.907 5.5-163.1-146.1 118.8 1.8 -16.4 -1.6 35 41 A T - 0 0 2 -2,-0.3 68,-0.2 68,-0.2 14,-0.1 -0.635 42.4 -85.9 -89.5 159.6 3.7 -15.1 1.3 36 42 A P - 0 0 13 0, 0.0 -22,-0.3 0, 0.0 -21,-0.1 -0.286 51.8 -93.4 -68.0 155.7 4.2 -11.3 1.6 37 43 A E + 0 0 39 1,-0.1 9,-2.3 -24,-0.1 12,-0.2 -0.335 44.9 160.5 -70.8 142.8 7.1 -9.6 -0.2 38 44 A T S S+ 0 0 31 7,-0.2 -1,-0.1 11,-0.1 7,-0.1 0.361 76.2 37.8-128.7 -7.6 10.5 -8.8 1.4 39 45 A K S S+ 0 0 147 5,-0.2 6,-0.1 1,-0.1 -2,-0.1 0.796 86.7 85.2-115.2 -42.0 12.8 -8.3 -1.7 40 46 A H > - 0 0 100 4,-0.2 4,-1.8 1,-0.1 3,-0.3 -0.584 60.8-150.3 -78.6 123.1 11.1 -6.5 -4.6 41 47 A P T 4 S+ 0 0 119 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.655 90.5 68.1 -69.1 -18.4 11.3 -2.7 -4.2 42 48 A K T 4 S+ 0 0 184 1,-0.2 -2,-0.0 2,-0.1 0, 0.0 0.992 113.5 26.7 -58.0 -63.1 8.0 -2.2 -6.1 43 49 A K T 4 S- 0 0 104 -3,-0.3 -1,-0.2 1,-0.2 -6,-0.1 0.719 102.2-151.7 -75.6 -25.0 5.9 -3.8 -3.3 44 50 A G < - 0 0 30 -4,-1.8 2,-1.0 2,-0.1 -4,-0.2 -0.245 49.8 -33.8 77.9-175.1 8.3 -2.9 -0.4 45 51 A V S S- 0 0 103 -7,-0.1 -7,-0.2 -6,-0.1 2,-0.1 -0.742 75.7-149.6 -80.5 106.1 8.6 -5.0 2.7 46 52 A E > - 0 0 68 -9,-2.3 3,-2.0 -2,-1.0 2,-0.1 -0.402 27.2 -84.5 -77.4 155.8 5.0 -6.1 3.1 47 53 A K T 3 S+ 0 0 156 1,-0.3 -1,-0.1 2,-0.1 -10,-0.1 -0.429 117.3 14.2 -62.9 130.1 3.4 -6.8 6.5 48 54 A Y T 3> S+ 0 0 36 -2,-0.1 4,-2.6 -3,-0.1 -1,-0.3 0.401 93.4 117.0 76.7 10.8 4.2 -10.3 7.8 49 55 A G H <> S+ 0 0 0 -3,-2.0 4,-2.4 -12,-0.2 -35,-0.3 0.968 79.0 41.0 -68.9 -55.3 6.9 -10.6 5.1 50 56 A P H > S+ 0 0 68 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.849 116.4 51.1 -60.7 -33.4 9.7 -11.0 7.6 51 57 A E H > S+ 0 0 99 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.891 109.4 49.2 -72.2 -42.5 7.5 -13.3 9.8 52 58 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 5,-0.3 0.939 111.8 51.3 -61.3 -43.7 6.6 -15.6 6.8 53 59 A S H X S+ 0 0 23 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.911 110.7 46.1 -54.9 -48.1 10.3 -15.8 6.0 54 60 A A H X S+ 0 0 58 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.868 111.1 52.9 -68.6 -38.8 11.3 -16.7 9.5 55 61 A F H X S+ 0 0 56 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.968 113.0 43.1 -58.4 -54.1 8.5 -19.4 9.8 56 62 A T H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 5,-0.3 0.934 113.4 52.8 -60.6 -45.1 9.6 -21.1 6.5 57 63 A K H X S+ 0 0 96 -4,-2.6 4,-2.9 -5,-0.3 5,-0.3 0.948 112.2 43.8 -54.9 -50.8 13.3 -20.9 7.4 58 64 A K H X S+ 0 0 141 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.939 113.7 51.7 -63.7 -45.6 12.8 -22.5 10.8 59 65 A M H < S+ 0 0 37 -4,-2.6 4,-0.5 -5,-0.2 -1,-0.2 0.901 118.5 34.6 -58.1 -46.5 10.5 -25.2 9.3 60 66 A V H < S+ 0 0 3 -4,-2.7 3,-0.4 -5,-0.2 -2,-0.2 0.882 118.6 50.1 -79.8 -35.7 12.9 -26.2 6.5 61 67 A E H < S+ 0 0 90 -4,-2.9 -2,-0.2 -5,-0.3 -3,-0.2 0.855 112.4 47.9 -70.2 -33.0 16.2 -25.8 8.4 62 68 A N S < S+ 0 0 115 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.584 90.3 107.7 -82.6 -12.1 14.9 -27.8 11.4 63 69 A A - 0 0 19 -4,-0.5 3,-0.1 -3,-0.4 -3,-0.0 -0.354 57.9-154.0 -71.5 143.6 13.6 -30.7 9.3 64 70 A K S S+ 0 0 182 1,-0.3 2,-0.4 -2,-0.1 -1,-0.1 0.855 87.2 25.1 -73.3 -40.4 15.4 -34.1 9.2 65 71 A K - 0 0 143 -58,-0.1 24,-2.8 -60,-0.0 2,-0.4 -0.990 66.3-162.7-137.0 126.0 13.9 -34.8 5.8 66 72 A I E -AE 6 88A 12 -60,-0.8 -60,-2.0 -2,-0.4 2,-0.4 -0.886 12.9-176.1-105.0 139.1 12.7 -32.4 3.0 67 73 A E E -AE 5 87A 55 20,-2.2 20,-2.7 -2,-0.4 2,-0.4 -0.971 14.0-150.4-132.2 148.3 10.5 -33.7 0.2 68 74 A V E -AE 4 86A 0 -64,-2.9 -64,-3.2 -2,-0.4 2,-0.4 -0.939 7.1-166.9-112.3 143.0 9.2 -32.0 -2.9 69 75 A E E - E 0 85A 15 16,-2.1 16,-2.5 -2,-0.4 -66,-0.2 -0.940 9.1-154.0-131.1 102.9 5.9 -33.0 -4.5 70 76 A F E - E 0 84A 27 -68,-0.5 -68,-0.4 -2,-0.4 14,-0.2 -0.433 17.6-131.0 -66.1 150.5 5.1 -31.7 -8.0 71 77 A D - 0 0 0 12,-0.6 41,-0.1 3,-0.2 -1,-0.1 -0.316 31.9 -90.0 -90.4-173.4 1.4 -31.4 -9.0 72 78 A K S S+ 0 0 129 39,-0.4 40,-0.2 -2,-0.1 3,-0.1 0.515 104.2 55.7 -77.8 -6.9 -0.2 -32.7 -12.2 73 79 A G S S- 0 0 16 1,-0.3 38,-0.2 36,-0.1 37,-0.1 -0.022 105.3 -16.2-104.5-148.9 0.4 -29.4 -14.2 74 80 A Q - 0 0 105 36,-1.6 -1,-0.3 1,-0.1 -3,-0.2 -0.209 50.2-158.8 -60.0 136.2 3.3 -27.2 -15.2 75 81 A R + 0 0 130 1,-0.1 8,-2.9 -3,-0.1 2,-0.3 0.546 69.8 39.3-102.2 -9.2 6.4 -27.9 -13.0 76 82 A T B S-F 82 0A 72 6,-0.3 6,-0.2 -48,-0.1 -1,-0.1 -0.989 71.0-135.3-135.9 146.2 8.3 -24.7 -13.5 77 83 A D > - 0 0 32 4,-2.1 3,-1.5 -2,-0.3 -2,-0.1 -0.271 44.7 -89.2 -83.7-174.0 7.3 -21.0 -13.7 78 84 A K T 3 S+ 0 0 190 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.664 126.3 60.6 -73.4 -12.6 8.7 -18.6 -16.2 79 85 A Y T 3 S- 0 0 194 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.256 119.8-105.7 -96.3 8.6 11.6 -17.7 -13.9 80 86 A G S < S+ 0 0 48 -3,-1.5 2,-0.4 1,-0.3 -53,-0.3 0.575 72.0 147.1 79.2 9.0 12.9 -21.3 -13.9 81 87 A R - 0 0 63 -55,-0.1 -4,-2.1 -53,-0.1 -53,-0.3 -0.686 51.9-121.4 -81.2 128.4 11.5 -21.9 -10.3 82 88 A G E -dF 28 76A 0 -55,-2.8 -53,-3.2 -2,-0.4 2,-0.7 -0.388 23.8-141.4 -59.2 138.5 10.3 -25.5 -9.6 83 89 A L E +d 29 0A 26 -8,-2.9 -12,-0.6 -55,-0.2 2,-0.3 -0.903 43.4 126.8-111.6 113.8 6.7 -25.4 -8.6 84 90 A A E -dE 30 70A 0 -55,-1.2 -53,-2.2 -2,-0.7 2,-0.5 -0.939 62.4 -99.1-153.5 169.1 5.8 -27.9 -5.8 85 91 A Y E - E 0 69A 0 -16,-2.5 -16,-2.1 -2,-0.3 2,-0.5 -0.837 43.4-149.2 -88.1 128.2 4.4 -28.7 -2.4 86 92 A I E - E 0 68A 1 -2,-0.5 7,-3.6 -18,-0.2 8,-0.5 -0.918 10.0-162.4-106.5 133.9 7.3 -28.8 0.1 87 93 A Y E -GE 92 67A 15 -20,-2.7 -20,-2.2 -2,-0.5 2,-0.6 -0.928 9.2-162.9-116.6 135.4 7.2 -31.1 3.1 88 94 A A E > S-GE 91 66A 7 3,-2.6 3,-1.9 -2,-0.4 -22,-0.2 -0.983 87.1 -20.9-116.5 113.1 9.4 -30.9 6.2 89 95 A D T 3 S- 0 0 67 -24,-2.8 -1,-0.2 -2,-0.6 -23,-0.1 0.890 129.9 -50.9 45.4 47.6 9.3 -34.2 8.0 90 96 A G T 3 S+ 0 0 40 -25,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.458 114.1 117.4 78.4 -1.6 6.0 -35.0 6.3 91 97 A K E < -G 88 0A 153 -3,-1.9 -3,-2.6 4,-0.0 2,-0.4 -0.894 68.3-121.9-102.6 128.5 4.4 -31.6 7.2 92 98 A M E > -G 87 0A 13 -2,-0.5 4,-2.6 -5,-0.2 -5,-0.3 -0.531 13.8-159.2 -75.3 123.3 3.4 -29.4 4.2 93 99 A V H > S+ 0 0 1 -7,-3.6 4,-2.7 -2,-0.4 5,-0.2 0.910 93.5 55.5 -64.3 -42.4 5.1 -26.0 4.3 94 100 A N H > S+ 0 0 0 -8,-0.5 4,-1.7 1,-0.2 -1,-0.2 0.926 113.1 41.0 -56.8 -49.6 2.5 -24.6 1.9 95 101 A E H > S+ 0 0 67 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.902 112.0 55.6 -65.7 -42.6 -0.4 -25.7 4.3 96 102 A A H X S+ 0 0 24 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.931 108.3 48.7 -56.0 -47.7 1.5 -24.7 7.5 97 103 A L H <>S+ 0 0 0 -4,-2.7 5,-2.8 1,-0.2 6,-0.7 0.930 113.1 46.0 -59.8 -48.7 1.9 -21.1 6.2 98 104 A V H ><5S+ 0 0 0 -4,-1.7 3,-1.6 4,-0.2 -1,-0.2 0.929 112.8 50.0 -60.9 -47.5 -1.7 -20.7 5.2 99 105 A R H 3<5S+ 0 0 88 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.826 108.6 53.0 -63.5 -32.3 -3.0 -22.2 8.5 100 106 A Q T 3<5S- 0 0 81 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.468 115.8-117.1 -77.7 -4.2 -0.7 -19.8 10.4 101 107 A G T < 5S+ 0 0 0 -3,-1.6 32,-2.4 -4,-0.3 -3,-0.2 0.803 86.6 115.5 70.1 27.7 -2.2 -16.8 8.5 102 108 A L S + 0 0 126 -2,-1.3 3,-1.8 3,-0.3 -36,-0.1 -0.952 36.3 67.7-166.0-179.2 -3.8 -22.4 -12.2 110 116 A K T 3 S- 0 0 101 1,-0.3 -36,-1.6 -2,-0.3 -1,-0.1 0.752 122.3 -56.3 59.2 33.3 -2.1 -24.3 -15.1 111 117 A G T 3 S+ 0 0 34 -38,-0.2 2,-1.3 1,-0.1 -39,-0.4 0.241 109.3 118.8 91.5 -7.6 -3.3 -27.7 -13.7 112 118 A N < + 0 0 5 -3,-1.8 -3,-0.3 1,-0.2 -80,-0.1 -0.443 33.8 107.4 -95.6 66.5 -1.7 -27.3 -10.3 113 119 A N > + 0 0 65 -2,-1.3 3,-1.7 -5,-0.1 4,-0.3 0.127 27.9 119.2-126.0 18.0 -4.8 -27.4 -8.0 114 120 A T T 3 S+ 0 0 67 1,-0.3 3,-0.3 -3,-0.2 4,-0.2 0.887 87.8 37.5 -54.1 -40.5 -4.7 -30.9 -6.2 115 121 A H T 3> S+ 0 0 33 1,-0.2 4,-2.6 2,-0.1 -1,-0.3 0.233 83.9 113.4 -97.9 15.6 -4.4 -29.3 -2.7 116 122 A E H <> S+ 0 0 42 -3,-1.7 4,-3.3 1,-0.2 5,-0.3 0.928 79.4 41.2 -57.0 -54.0 -6.7 -26.3 -3.4 117 123 A Q H > S+ 0 0 113 -4,-0.3 4,-2.6 -3,-0.3 5,-0.2 0.927 113.9 54.2 -66.1 -39.4 -9.6 -27.3 -1.0 118 124 A L H > S+ 0 0 69 -4,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.952 115.3 40.4 -50.6 -50.9 -7.1 -28.4 1.7 119 125 A L H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.914 112.4 53.7 -69.6 -43.4 -5.4 -25.0 1.5 120 126 A R H X S+ 0 0 94 -4,-3.3 4,-2.6 -5,-0.2 5,-0.2 0.907 109.1 50.4 -57.3 -42.1 -8.6 -23.0 1.2 121 127 A K H X S+ 0 0 145 -4,-2.6 4,-2.1 -5,-0.3 -2,-0.2 0.943 108.7 50.8 -61.6 -49.8 -9.9 -24.6 4.3 122 128 A A H X S+ 0 0 6 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.883 112.1 49.2 -47.8 -42.7 -6.7 -23.8 6.2 123 129 A E H X S+ 0 0 22 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.924 107.6 51.9 -67.4 -46.9 -7.1 -20.2 5.0 124 130 A A H X S+ 0 0 57 -4,-2.6 4,-2.9 2,-0.2 -1,-0.2 0.880 112.2 48.6 -54.1 -41.3 -10.8 -19.9 6.1 125 131 A Q H X S+ 0 0 73 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.917 110.9 47.5 -69.8 -44.1 -9.7 -21.2 9.6 126 132 A A H <>S+ 0 0 0 -4,-2.2 5,-2.3 2,-0.2 4,-0.4 0.899 113.4 50.8 -61.0 -38.1 -6.8 -18.7 9.9 127 133 A K H ><5S+ 0 0 97 -4,-2.8 3,-1.9 2,-0.2 -2,-0.2 0.964 108.4 50.5 -64.8 -51.4 -9.2 -16.0 8.8 128 134 A K H 3<5S+ 0 0 170 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.846 112.5 48.0 -53.1 -37.2 -11.8 -17.1 11.4 129 135 A E T 3<5S- 0 0 90 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.528 105.2-132.3 -82.0 -3.7 -9.0 -16.9 14.0 130 136 A K T < 5 + 0 0 149 -3,-1.9 2,-0.5 -4,-0.4 -3,-0.2 0.896 43.3 176.7 51.5 44.4 -7.9 -13.4 12.8 131 137 A L > < - 0 0 42 -5,-2.3 3,-2.1 3,-0.1 -1,-0.2 -0.691 46.2 -55.1 -89.2 125.5 -4.4 -14.8 12.8 132 138 A N G > S+ 0 0 43 -2,-0.5 3,-3.2 1,-0.3 -30,-0.2 -0.176 135.2 28.9 53.5-111.3 -1.5 -12.6 11.5 133 139 A I G 3 S+ 0 0 35 -32,-2.4 -1,-0.3 1,-0.3 -31,-0.1 0.797 127.0 49.2 -48.0 -32.9 -2.4 -11.4 7.9 134 140 A W G < 0 0 50 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.280 360.0 360.0 -93.9 8.6 -6.1 -11.6 8.9 135 141 A S < 0 0 99 -3,-3.2 -1,-0.2 -34,-0.2 -2,-0.2 0.403 360.0 360.0 -84.0 360.0 -5.7 -9.7 12.1