==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-FEB-07 2JHQ . COMPND 2 MOLECULE: URACIL DNA-GLYCOSYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO CHOLERAE; . AUTHOR I.L.U.RAEDER,E.MOE,N.P.WILLASSEN,A.O.SMALAS,I.LEIROS . 223 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10808.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 144 64.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 7.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.3 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 14 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 29.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.7 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 3 1 0 0 0 0 1 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 0 2 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 . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 4 A S 0 0 155 0, 0.0 50,-0.1 0, 0.0 49,-0.1 0.000 360.0 360.0 360.0 -11.8 28.9 41.9 -4.2 2 5 A L - 0 0 85 150,-0.1 49,-1.5 48,-0.1 2,-0.2 -0.398 360.0-146.1 -69.5 144.9 26.0 39.6 -5.1 3 6 A T > - 0 0 43 47,-0.2 4,-1.5 48,-0.1 5,-0.2 -0.637 27.8-105.7-108.4 167.9 23.7 38.5 -2.2 4 7 A W H >>S+ 0 0 13 1,-0.2 4,-3.1 -2,-0.2 5,-0.7 0.903 122.8 59.6 -57.3 -42.2 21.8 35.3 -1.4 5 8 A H H >5S+ 0 0 145 1,-0.2 4,-1.1 3,-0.2 5,-0.2 0.897 107.1 46.6 -47.4 -48.5 18.6 37.3 -2.4 6 9 A D H 45S+ 0 0 88 -3,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.810 122.2 32.0 -65.5 -37.3 20.1 37.9 -5.9 7 10 A V H <5S+ 0 0 21 -4,-1.5 -2,-0.2 -3,-0.2 -1,-0.2 0.719 137.6 12.5-102.0 -25.8 21.3 34.3 -6.5 8 11 A I H ><5S+ 0 0 15 -4,-3.1 3,-1.9 -5,-0.2 4,-0.3 0.343 89.4 103.4-134.7 5.8 18.7 32.1 -4.7 9 12 A G G >< S+ 0 0 95 1,-0.3 3,-1.7 -5,-0.2 -1,-0.3 0.732 79.5 76.9 -56.1 -25.4 14.0 32.8 -6.7 11 14 A E G X S+ 0 0 15 -3,-1.9 3,-2.0 1,-0.3 6,-0.3 0.806 78.5 71.8 -59.2 -27.0 13.7 29.6 -4.7 12 15 A K G < S+ 0 0 111 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.777 97.7 49.8 -56.8 -30.3 10.9 31.1 -2.6 13 16 A Q G < S+ 0 0 134 -3,-1.7 2,-0.4 -4,-0.2 -1,-0.3 0.334 87.7 107.4 -91.5 2.1 8.7 30.8 -5.7 14 17 A Q S <> S- 0 0 87 -3,-2.0 4,-2.3 -4,-0.2 3,-0.3 -0.710 70.0-136.3 -88.3 134.5 9.5 27.1 -6.3 15 18 A A H > S+ 0 0 57 -2,-0.4 4,-2.4 1,-0.2 5,-0.2 0.881 103.9 53.5 -53.3 -45.0 6.8 24.6 -5.5 16 19 A Y H > S+ 0 0 38 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.907 110.2 47.9 -61.6 -39.5 9.3 22.2 -3.8 17 20 A F H > S+ 0 0 11 -6,-0.3 4,-2.4 -3,-0.3 5,-0.2 0.941 112.0 47.5 -68.2 -47.3 10.6 25.0 -1.5 18 21 A Q H X S+ 0 0 81 -4,-2.3 4,-2.4 -7,-0.2 -1,-0.2 0.895 112.3 51.6 -60.2 -39.4 7.1 26.2 -0.5 19 22 A Q H X S+ 0 0 122 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.860 107.1 53.4 -69.1 -35.5 6.1 22.6 0.2 20 23 A T H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.2 5,-0.2 0.967 112.3 43.7 -59.3 -50.8 9.2 22.1 2.4 21 24 A L H X S+ 0 0 47 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.891 113.0 51.9 -64.4 -39.8 8.3 25.1 4.5 22 25 A Q H X S+ 0 0 123 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.900 110.5 49.5 -62.4 -40.4 4.6 24.1 4.7 23 26 A F H X S+ 0 0 65 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.940 111.3 46.8 -62.1 -50.2 5.7 20.6 5.8 24 27 A V H X S+ 0 0 9 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.945 113.7 49.5 -60.2 -45.8 8.0 21.8 8.6 25 28 A E H X S+ 0 0 90 -4,-2.5 4,-3.0 1,-0.2 -1,-0.2 0.916 109.6 50.8 -61.6 -41.5 5.3 24.3 9.8 26 29 A S H X S+ 0 0 59 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.892 110.1 50.5 -64.3 -36.1 2.7 21.6 9.8 27 30 A Q H <>S+ 0 0 42 -4,-2.2 5,-2.5 2,-0.2 4,-0.3 0.931 111.4 48.0 -66.3 -43.9 5.0 19.3 11.9 28 31 A R H ><5S+ 0 0 58 -4,-2.6 3,-1.6 1,-0.2 -2,-0.2 0.936 111.1 50.5 -60.2 -46.8 5.6 22.2 14.3 29 32 A Q H 3<5S+ 0 0 145 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.783 106.4 57.0 -62.7 -28.3 1.8 22.9 14.6 30 33 A A T 3<5S- 0 0 74 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.466 123.7-101.7 -81.1 -5.3 1.2 19.1 15.2 31 34 A G T < 5S+ 0 0 61 -3,-1.6 2,-0.3 -4,-0.3 -3,-0.2 0.596 70.7 148.4 91.1 12.4 3.5 19.2 18.3 32 35 A K < - 0 0 96 -5,-2.5 2,-0.8 -6,-0.2 -1,-0.3 -0.619 52.0-123.7 -73.2 137.6 6.6 17.6 16.7 33 36 A V - 0 0 65 -2,-0.3 94,-3.0 94,-0.1 2,-0.4 -0.792 38.0-174.7 -85.2 110.2 9.8 18.9 18.2 34 37 A I E -A 126 0A 8 -2,-0.8 92,-0.2 92,-0.2 4,-0.1 -0.943 15.9-111.8-116.7 131.7 11.7 20.3 15.2 35 38 A Y E S+A 125 0A 30 90,-3.1 90,-1.9 -2,-0.4 35,-0.1 -0.886 82.3 26.5-115.5 148.8 15.2 21.7 15.3 36 39 A P S S- 0 0 2 0, 0.0 34,-0.1 0, 0.0 5,-0.1 0.687 94.8-101.9 -77.4 179.5 16.5 24.2 14.9 37 40 A P >> - 0 0 54 0, 0.0 3,-2.2 0, 0.0 4,-0.7 -0.270 38.0-107.4 -54.6 151.5 13.9 26.8 15.9 38 41 A A G >4 S+ 0 0 63 1,-0.3 3,-1.1 2,-0.2 4,-0.4 0.850 118.5 59.3 -52.3 -41.6 12.2 28.4 12.9 39 42 A K G 34 S+ 0 0 153 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.697 109.1 45.7 -63.0 -16.4 14.0 31.8 13.4 40 43 A D G X4 S+ 0 0 21 -3,-2.2 3,-2.4 1,-0.1 4,-0.3 0.540 80.4 98.6-102.4 -9.0 17.4 29.9 13.1 41 44 A V T << S+ 0 0 10 -3,-1.1 3,-0.3 -4,-0.7 -1,-0.1 0.826 92.9 35.2 -54.7 -39.1 16.8 27.8 10.1 42 45 A F T >> S+ 0 0 72 -4,-0.4 4,-1.6 1,-0.2 3,-1.1 0.119 78.9 121.4-104.4 21.7 18.6 30.1 7.7 43 46 A N H <> + 0 0 6 -3,-2.4 4,-2.5 1,-0.3 5,-0.2 0.804 67.4 62.9 -56.1 -32.1 21.3 31.4 10.0 44 47 A A H 3> S+ 0 0 3 27,-1.0 4,-1.1 -3,-0.3 -1,-0.3 0.878 108.1 43.0 -62.1 -36.7 24.1 30.2 7.7 45 48 A F H <4 S+ 0 0 17 -3,-1.1 -1,-0.2 2,-0.2 -2,-0.2 0.804 111.8 54.3 -76.1 -36.8 22.9 32.6 5.1 46 49 A R H < S+ 0 0 170 -4,-1.6 3,-0.2 1,-0.2 -2,-0.2 0.896 115.8 38.3 -58.8 -44.2 22.4 35.4 7.6 47 50 A F H < S+ 0 0 72 -4,-2.5 2,-0.3 1,-0.3 68,-0.3 0.587 122.3 38.9 -96.1 -11.6 25.9 35.2 8.9 48 51 A T S < S- 0 0 1 -4,-1.1 -1,-0.3 -5,-0.2 5,-0.1 -0.797 78.8-153.9-136.9 96.1 27.8 34.5 5.6 49 52 A E >> - 0 0 68 -2,-0.3 3,-1.3 -3,-0.2 4,-0.8 -0.255 30.5-104.8 -65.0 157.1 26.4 36.5 2.7 50 53 A F G >4 S+ 0 0 1 1,-0.3 3,-1.3 2,-0.2 -47,-0.2 0.889 120.5 44.0 -53.2 -52.8 26.9 35.1 -0.8 51 54 A G G 34 S+ 0 0 25 -49,-1.5 -1,-0.3 1,-0.2 -48,-0.1 0.641 111.6 56.5 -67.0 -16.3 29.7 37.5 -1.9 52 55 A D G <4 S+ 0 0 103 -3,-1.3 -1,-0.2 -50,-0.1 -2,-0.2 0.504 77.2 117.4 -92.2 -10.4 31.4 37.0 1.5 53 56 A V << + 0 0 0 -3,-1.3 63,-0.2 -4,-0.8 3,-0.1 -0.427 22.3 153.5 -64.5 128.8 31.7 33.2 1.2 54 57 A K + 0 0 70 61,-3.5 103,-1.9 1,-0.5 2,-0.3 0.597 67.9 25.3-116.9 -33.6 35.4 32.1 1.2 55 58 A V E -bc 116 157B 0 60,-2.1 62,-3.0 101,-0.2 -1,-0.5 -0.971 65.3-155.0-136.9 139.7 35.1 28.6 2.6 56 59 A V E -bc 117 158B 0 101,-2.7 103,-2.9 -2,-0.3 2,-0.5 -0.995 9.3-175.3-121.4 122.8 32.2 26.2 2.5 57 60 A I E -bc 118 159B 1 60,-2.6 62,-1.6 -2,-0.5 2,-0.4 -0.987 14.3-150.3-114.5 126.2 31.9 23.4 5.1 58 61 A L E +b 119 0B 3 101,-1.2 103,-0.3 -2,-0.5 2,-0.3 -0.755 17.1 176.2 -98.4 138.0 29.0 20.9 4.7 59 62 A G E -b 120 0B 6 60,-2.0 62,-1.9 -2,-0.4 14,-0.1 -0.736 23.4-139.0-115.2 175.4 27.1 19.0 7.4 60 63 A Q S S+ 0 0 52 1,-0.4 62,-2.7 -2,-0.3 -1,-0.2 0.792 73.6 8.4 -98.8 -84.1 24.2 16.7 6.7 61 64 A D S S- 0 0 27 60,-0.2 -1,-0.4 59,-0.1 62,-0.1 -0.639 81.3-104.0 -93.2 154.7 21.4 17.1 9.3 62 65 A P - 0 0 4 0, 0.0 -1,-0.1 0, 0.0 -27,-0.1 -0.385 57.9 -81.0 -61.4 155.1 21.1 19.7 12.1 63 66 A Y - 0 0 40 12,-0.2 6,-0.4 1,-0.1 62,-0.1 -0.336 43.1-148.9 -52.8 143.1 22.0 18.3 15.5 64 67 A H + 0 0 69 -3,-0.1 64,-2.7 4,-0.1 65,-0.2 0.266 61.5 89.2-110.8 13.3 18.9 16.5 16.7 65 68 A G S >> S- 0 0 16 62,-0.2 3,-1.5 1,-0.1 4,-0.6 -0.678 88.2 -78.1-104.3 163.0 19.1 16.9 20.5 66 69 A P T 34 S+ 0 0 69 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.262 111.4 9.2 -59.3 144.7 17.7 19.7 22.7 67 70 A N T 34 S+ 0 0 132 2,-0.1 10,-0.4 1,-0.1 13,-0.1 0.494 108.0 94.9 71.9 6.9 19.7 22.9 22.9 68 71 A Q T <4 + 0 0 50 -3,-1.5 9,-0.5 8,-0.1 -1,-0.1 0.939 60.0 62.6 -96.3 -71.6 22.1 21.9 20.0 69 72 A A < + 0 0 13 -4,-0.6 -2,-0.1 -6,-0.4 7,-0.1 -0.320 41.2 162.9 -64.9 137.5 21.2 23.0 16.5 70 73 A H - 0 0 4 2,-0.4 -1,-0.1 5,-0.3 3,-0.1 0.100 69.4 -82.7-139.1 26.0 21.2 26.8 15.8 71 74 A G S S+ 0 0 11 1,-0.2 -27,-1.0 4,-0.1 2,-0.4 0.546 102.0 95.6 91.8 5.1 21.3 26.9 12.0 72 75 A L S > S- 0 0 4 3,-0.2 3,-0.8 -29,-0.1 -2,-0.4 -0.993 81.6-106.2-123.6 134.0 25.1 26.5 11.5 73 76 A C T 3 S- 0 0 0 45,-1.8 2,-0.2 -2,-0.4 3,-0.1 -0.341 96.7 -2.6 -60.6 141.9 26.6 23.1 10.8 74 77 A F T 3 S+ 0 0 16 1,-0.2 -1,-0.2 33,-0.0 12,-0.1 0.117 105.2 116.9 71.6 -16.7 28.6 21.5 13.7 75 78 A S < - 0 0 0 -3,-0.8 2,-0.3 -2,-0.2 -5,-0.3 -0.437 41.2-171.6 -86.4 152.4 28.1 24.6 15.9 76 79 A V - 0 0 0 30,-2.3 30,-0.1 -2,-0.1 -8,-0.1 -0.978 32.1-104.8-134.2 151.6 26.3 24.8 19.3 77 80 A L > - 0 0 74 -9,-0.5 3,-1.8 -10,-0.4 29,-0.3 -0.279 55.3 -71.5 -70.6 161.8 25.6 28.0 21.2 78 81 A P T 3 S+ 0 0 44 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.229 119.3 29.7 -56.4 139.9 27.6 28.9 24.3 79 82 A G T 3 S+ 0 0 85 1,-0.4 2,-0.3 25,-0.2 -2,-0.1 0.126 92.6 114.7 99.1 -17.5 27.0 26.8 27.4 80 83 A V S < S- 0 0 34 -3,-1.8 26,-0.4 1,-0.1 -1,-0.4 -0.667 77.4-100.9 -88.1 138.5 26.0 23.7 25.4 81 84 A K - 0 0 185 -2,-0.3 -1,-0.1 1,-0.1 24,-0.1 -0.342 41.9-107.3 -53.7 133.4 28.2 20.5 25.6 82 85 A T - 0 0 26 1,-0.1 -1,-0.1 4,-0.1 -7,-0.1 -0.524 39.7-126.0 -64.8 115.1 30.5 20.2 22.5 83 86 A P >> - 0 0 4 0, 0.0 4,-2.5 0, 0.0 3,-0.6 -0.224 23.3-102.0 -67.7 160.8 29.1 17.4 20.4 84 87 A P H 3> S+ 0 0 79 0, 0.0 4,-1.7 0, 0.0 5,-0.2 0.842 119.5 53.0 -54.3 -41.3 31.3 14.4 19.3 85 88 A S H 3> S+ 0 0 15 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.925 112.2 45.1 -59.2 -42.6 31.8 15.7 15.7 86 89 A L H <> S+ 0 0 0 -3,-0.6 4,-3.3 1,-0.2 5,-0.3 0.881 104.1 63.0 -73.8 -33.9 33.0 19.1 17.0 87 90 A V H X S+ 0 0 55 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.923 109.1 42.3 -50.0 -44.3 35.2 17.4 19.6 88 91 A N H X S+ 0 0 5 -4,-1.7 4,-2.7 97,-0.3 -2,-0.2 0.869 109.9 55.5 -75.4 -36.6 37.1 15.9 16.7 89 92 A I H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.950 111.5 46.1 -55.6 -48.0 37.1 19.0 14.6 90 93 A Y H X S+ 0 0 3 -4,-3.3 4,-2.3 2,-0.2 -2,-0.2 0.871 108.9 54.4 -63.4 -38.2 38.7 20.7 17.6 91 94 A K H X S+ 0 0 94 -4,-1.9 4,-1.2 -5,-0.3 -1,-0.2 0.930 110.3 47.6 -61.9 -44.5 41.2 17.9 18.1 92 95 A E H >X S+ 0 0 5 -4,-2.7 4,-2.7 1,-0.2 3,-0.6 0.938 110.3 51.0 -59.7 -49.8 42.3 18.3 14.4 93 96 A L H 3X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 7,-0.3 0.890 105.5 57.3 -56.2 -38.3 42.6 22.1 14.8 94 97 A A H 3< S+ 0 0 35 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.817 116.1 35.3 -63.8 -31.3 44.8 21.6 17.9 95 98 A Q H << S+ 0 0 160 -4,-1.2 -1,-0.2 -3,-0.6 -2,-0.2 0.785 123.0 45.1 -88.2 -30.8 47.3 19.5 15.9 96 99 A D H < S+ 0 0 2 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.834 107.0 53.1 -85.5 -37.8 46.9 21.4 12.6 97 100 A I S >< S- 0 0 34 -4,-2.9 3,-2.2 -5,-0.2 -1,-0.2 -0.904 84.9-122.3-112.7 112.6 47.1 25.1 13.7 98 101 A P T 3 S+ 0 0 124 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.262 96.4 9.1 -49.8 127.5 50.0 26.4 15.8 99 102 A G T 3 S+ 0 0 63 1,-0.3 2,-0.2 -5,-0.2 -5,-0.1 0.391 87.5 147.1 81.8 -2.2 48.7 27.9 19.0 100 103 A F < - 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0 0 52 -4,-0.9 2,-0.3 -5,-0.2 3,-0.0 -0.915 64.6-151.0-129.3 164.9 31.8 32.5 -7.5 154 157 A N + 0 0 99 -2,-0.3 23,-0.2 1,-0.1 22,-0.1 -0.992 69.4 18.7-133.2 146.5 35.4 31.6 -8.2 155 158 A G S S+ 0 0 9 21,-2.8 22,-0.2 -2,-0.3 -1,-0.1 0.696 74.1 157.9 76.6 20.9 38.2 30.2 -6.0 156 159 A L - 0 0 2 20,-0.2 22,-3.1 -7,-0.1 2,-0.6 -0.435 38.7-131.7 -70.9 153.5 36.1 29.0 -3.1 157 160 A I E -cd 55 178B 0 -103,-1.9 -101,-2.7 20,-0.2 2,-0.6 -0.951 20.7-164.1-104.8 120.0 37.5 26.3 -0.7 158 161 A F E -cd 56 179B 0 20,-2.5 22,-3.0 -2,-0.6 2,-0.8 -0.933 7.1-159.3-105.3 123.4 35.1 23.5 -0.1 159 162 A L E -cd 57 180B 0 -103,-2.9 -101,-1.2 -2,-0.6 2,-0.8 -0.884 13.3-170.5-100.3 103.3 35.8 21.2 2.8 160 163 A L E - d 0 181B 4 20,-2.8 22,-1.7 -2,-0.8 2,-0.7 -0.861 1.5-171.4-105.7 105.1 33.8 18.0 2.0 161 164 A W E - d 0 182B 3 -2,-0.8 4,-0.5 -103,-0.3 23,-0.2 -0.872 50.2 -6.8-106.0 110.9 33.8 15.7 4.9 162 165 A G S > S- 0 0 11 20,-2.9 4,-1.8 -2,-0.7 5,-0.2 -0.117 91.0 -69.2 94.3 170.4 32.4 12.2 4.4 163 166 A S H > S+ 0 0 102 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.869 126.4 54.5 -70.3 -36.5 30.6 10.4 1.5 164 167 A H H > S+ 0 0 63 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.942 112.3 43.8 -61.6 -45.6 27.4 12.4 1.7 165 168 A A H > S+ 0 0 6 -4,-0.5 4,-1.4 2,-0.2 -1,-0.2 0.847 113.2 51.9 -67.8 -35.7 29.2 15.8 1.4 166 169 A Q H < S+ 0 0 55 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.910 111.3 46.1 -70.3 -39.7 31.5 14.5 -1.3 167 170 A K H >< S+ 0 0 138 -4,-2.7 3,-1.8 1,-0.2 -2,-0.2 0.913 109.0 57.7 -65.4 -39.3 28.5 13.3 -3.4 168 171 A K H 3< S+ 0 0 22 -4,-2.3 3,-0.4 1,-0.3 -1,-0.2 0.834 110.2 43.7 -58.0 -34.9 26.8 16.6 -2.7 169 172 A G T >< S+ 0 0 8 -4,-1.4 3,-1.6 1,-0.2 -1,-0.3 0.198 77.0 116.5 -97.2 18.7 29.8 18.4 -4.3 170 173 A Q T < S+ 0 0 125 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.705 77.6 47.8 -64.9 -21.7 30.1 16.1 -7.3 171 174 A M T 3 S+ 0 0 147 -3,-0.4 -1,-0.3 -4,-0.2 -2,-0.1 0.499 80.8 121.3 -95.8 -8.4 29.3 18.9 -9.8 172 175 A I S < S- 0 0 10 -3,-1.6 2,-0.9 1,-0.1 7,-0.1 -0.328 73.5-115.5 -58.3 132.8 31.7 21.5 -8.3 173 176 A D > - 0 0 58 1,-0.2 4,-2.2 -23,-0.1 -1,-0.1 -0.671 26.0-161.9 -74.2 107.2 34.2 22.7 -10.8 174 177 A R T 4 S+ 0 0 161 -2,-0.9 5,-0.2 1,-0.2 -1,-0.2 0.511 86.5 52.6 -74.6 -6.8 37.5 21.4 -9.3 175 178 A Q T 4 S+ 0 0 183 3,-0.1 -1,-0.2 1,-0.0 -2,-0.1 0.806 114.7 39.1 -89.4 -40.1 39.6 23.7 -11.5 176 179 A R T 4 S+ 0 0 67 -22,-0.1 -21,-2.8 -3,-0.0 2,-0.3 0.760 124.8 36.5 -81.6 -25.5 37.7 26.9 -10.5 177 180 A H S < S- 0 0 0 -4,-2.2 2,-0.7 -22,-0.2 -20,-0.2 -0.880 80.9-121.5-127.4 158.8 37.3 25.9 -6.9 178 181 A H E -d 157 0B 57 -22,-3.1 -20,-2.5 -2,-0.3 2,-0.5 -0.895 27.7-167.7-107.5 109.0 39.5 24.1 -4.4 179 182 A V E -d 158 0B 21 -2,-0.7 2,-0.4 -5,-0.2 -20,-0.2 -0.875 3.1-168.3-103.8 129.7 37.9 21.0 -3.0 180 183 A L E -d 159 0B 25 -22,-3.0 -20,-2.8 -2,-0.5 2,-0.4 -0.968 9.6-155.8-118.1 130.2 39.5 19.2 0.0 181 184 A M E +d 160 0B 108 -2,-0.4 -20,-0.2 -22,-0.2 -22,-0.0 -0.883 25.7 141.5-112.3 138.7 38.2 15.7 1.0 182 185 A A E -d 161 0B 6 -22,-1.7 -20,-2.9 -2,-0.4 12,-0.2 -0.953 51.0 -85.7-155.7 164.3 38.3 13.9 4.3 183 186 A P - 0 0 38 0, 0.0 10,-0.1 0, 0.0 14,-0.1 -0.257 60.4 -77.2 -65.3 164.8 36.0 11.6 6.2 184 187 A H - 0 0 49 -23,-0.2 5,-0.2 1,-0.1 10,-0.2 -0.339 35.9-129.8 -59.3 140.0 33.2 12.9 8.4 185 188 A P S S+ 0 0 0 0, 0.0 -97,-0.3 0, 0.0 -1,-0.1 0.520 71.9 118.4 -75.5 -2.2 34.5 14.1 11.9 186 189 A S S >> S- 0 0 24 1,-0.1 4,-2.7 -98,-0.1 3,-2.3 -0.275 85.3-109.5 -50.3 146.2 31.9 12.0 13.7 187 190 A P T 34 S+ 0 0 69 0, 0.0 4,-0.5 0, 0.0 -1,-0.1 0.774 116.3 73.9 -52.0 -22.9 33.5 9.4 15.9 188 191 A L T 34 S+ 0 0 143 1,-0.2 -2,-0.1 2,-0.1 -4,-0.0 0.716 122.1 2.7 -66.0 -22.3 32.2 6.9 13.4 189 192 A S T X4>S+ 0 0 22 -3,-2.3 3,-2.0 -5,-0.2 5,-0.7 0.467 101.3 97.9-137.4 -6.3 34.9 8.0 10.9 190 193 A A G >X>S+ 0 0 0 -4,-2.7 5,-2.8 1,-0.3 4,-0.7 0.848 89.4 48.5 -57.1 -36.8 37.2 10.6 12.5 191 194 A H G 345S+ 0 0 124 -4,-0.5 -1,-0.3 1,-0.3 -3,-0.1 0.408 101.9 66.6 -86.8 2.1 39.9 8.1 13.4 192 195 A R G <45S- 0 0 195 -3,-2.0 -1,-0.3 0, 0.0 -2,-0.1 -0.201 134.3 -40.6-117.1 37.0 39.9 6.6 9.9 193 196 A G T <45S+ 0 0 40 -3,-0.7 -2,-0.2 2,-0.2 -3,-0.2 0.273 117.5 86.4 131.9 -10.3 41.2 9.6 8.1 194 197 A F T >< + 0 0 120 -4,-0.3 4,-2.2 1,-0.1 5,-0.2 0.825 37.1 152.3 53.6 37.7 45.2 19.2 8.0 199 202 A H H > + 0 0 5 -5,-0.2 4,-2.5 1,-0.2 5,-0.1 0.785 63.5 56.1 -68.6 -25.4 42.2 20.9 6.2 200 203 A F H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.922 111.5 40.4 -79.2 -44.1 42.4 24.1 8.3 201 204 A S H > S+ 0 0 31 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.912 116.5 52.0 -65.0 -42.6 46.1 24.9 7.6 202 205 A K H X S+ 0 0 108 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.935 107.5 52.0 -59.9 -46.4 45.5 23.9 3.9 203 206 A T H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.933 110.6 48.3 -51.7 -49.4 42.5 26.2 3.7 204 207 A N H X S+ 0 0 22 -4,-1.9 4,-2.9 1,-0.2 -2,-0.2 0.880 109.2 52.8 -63.6 -36.6 44.6 29.1 5.0 205 208 A Q H X S+ 0 0 116 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.921 111.1 47.2 -62.2 -44.3 47.4 28.3 2.5 206 209 A L H X S+ 0 0 40 -4,-2.5 4,-0.9 2,-0.2 -2,-0.2 0.892 112.5 49.4 -66.8 -38.9 44.9 28.4 -0.3 207 210 A L H ><>S+ 0 0 0 -4,-2.5 5,-2.4 -5,-0.2 3,-1.2 0.966 111.1 48.6 -64.0 -48.9 43.4 31.6 0.9 208 211 A Q H ><5S+ 0 0 129 -4,-2.9 3,-1.6 1,-0.3 -2,-0.2 0.869 104.3 60.7 -57.6 -36.9 46.8 33.3 1.3 209 212 A A H 3<5S+ 0 0 74 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.786 107.2 46.7 -62.5 -25.4 47.7 32.1 -2.3 210 213 A Q T <<5S- 0 0 77 -3,-1.2 -1,-0.3 -4,-0.9 -2,-0.2 0.426 119.9-109.4 -93.3 -1.9 44.7 34.2 -3.5 211 214 A G T < 5S+ 0 0 73 -3,-1.6 2,-0.3 -4,-0.3 -3,-0.2 0.674 76.6 136.2 78.6 19.4 45.7 37.3 -1.5 212 215 A I < - 0 0 48 -5,-2.4 -1,-0.3 -6,-0.2 -2,-0.2 -0.769 64.6-100.7-100.1 141.5 42.6 36.6 0.8 213 216 A A - 0 0 67 -2,-0.3 -1,-0.1 -3,-0.1 2,-0.0 -0.385 41.6-118.8 -60.8 135.2 42.9 36.9 4.6 214 217 A P - 0 0 52 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.322 31.8 -96.6 -70.5 159.6 43.2 33.5 6.2 215 218 A I - 0 0 6 -15,-0.2 2,-1.0 1,-0.0 -11,-0.1 -0.593 21.8-139.0 -75.6 131.3 40.6 32.2 8.7 216 219 A N - 0 0 93 -2,-0.3 -102,-0.1 -106,-0.2 -1,-0.0 -0.858 20.8-168.1 -83.6 104.2 41.3 32.7 12.4 217 220 A W + 0 0 2 -2,-1.0 -1,-0.1 2,-0.1 -106,-0.1 0.565 53.8 106.2 -75.5 -12.2 40.0 29.3 13.5 218 221 A Q S S- 0 0 46 -108,-0.1 -2,-0.1 1,-0.1 -116,-0.1 -0.633 75.5-129.2 -69.9 110.2 40.0 30.1 17.2 219 222 A P - 0 0 5 0, 0.0 2,-0.4 0, 0.0 -111,-0.1 -0.328 19.4-147.2 -69.3 138.9 36.3 30.6 17.9 220 223 A E - 0 0 117 -2,-0.1 -110,-0.4 -117,-0.0 2,-0.2 -0.867 2.6-139.8-107.9 139.9 35.2 33.7 19.7 221 224 A L - 0 0 75 -2,-0.4 -116,-0.0 1,-0.2 -113,-0.0 -0.509 45.5 -78.9 -80.3 156.9 32.3 34.1 22.1 222 225 A E 0 0 132 -2,-0.2 -1,-0.2 1,-0.1 -112,-0.0 -0.191 360.0 360.0 -49.7 152.7 30.1 37.2 22.0 223 226 A S 0 0 178 -3,-0.1 -1,-0.1 0, 0.0 -2,-0.0 0.840 360.0 360.0 -92.6 360.0 31.8 40.2 23.7