==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 10-MAY-02 1LQM . COMPND 2 MOLECULE: URACIL-DNA GLYCOSYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR K.SAIKRISHNAN,M.B.SAGAR,R.RAVISHANKAR,S.ROY,K.PURNAPATRE, . 1227 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 54167.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 862 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 64 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 142 11.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 1 0.1 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 . 126 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 149 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 317 25.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 29 2.4 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 5 10 3 3 4 2 5 1 0 3 0 7 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 0 8 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 . 7 4 1 0 7 2 2 4 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 . 0 4 4 3 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 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 E 0 0 143 0, 0.0 2,-0.6 0, 0.0 49,-0.0 0.000 360.0 360.0 360.0 15.4 18.9 43.2 19.9 2 5 A L - 0 0 69 150,-0.1 49,-0.9 3,-0.0 2,-0.2 -0.918 360.0-154.8-104.9 119.8 15.7 45.3 20.2 3 6 A T > - 0 0 42 -2,-0.6 4,-1.5 47,-0.2 5,-0.3 -0.622 28.5-117.4 -96.1 154.6 16.2 48.4 22.4 4 7 A W H > S+ 0 0 11 -2,-0.2 4,-1.8 1,-0.2 3,-0.4 0.914 119.6 58.1 -51.4 -41.0 13.7 50.4 24.3 5 8 A H H >> S+ 0 0 142 1,-0.2 4,-2.6 2,-0.2 3,-1.5 0.974 99.7 57.8 -56.3 -57.0 14.7 53.3 22.0 6 9 A D H 34 S+ 0 0 97 1,-0.3 4,-0.2 2,-0.2 -1,-0.2 0.832 118.8 31.1 -38.9 -46.1 13.7 51.2 18.8 7 10 A V H 3< S+ 0 0 28 -4,-1.5 -1,-0.3 -3,-0.4 4,-0.3 0.586 126.0 43.8 -93.1 -11.4 10.2 50.7 20.1 8 11 A L H 4 S+ 0 0 167 -4,-0.2 3,-1.9 1,-0.2 -1,-0.2 0.925 115.2 48.6 -57.4 -52.8 8.0 57.7 18.1 11 14 A E G >4 S+ 0 0 24 1,-0.3 3,-2.3 -4,-0.3 -1,-0.2 0.863 94.4 74.5 -58.2 -38.7 6.3 57.9 21.4 12 15 A K G 3< S+ 0 0 76 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.739 109.8 32.3 -47.5 -21.1 9.2 59.8 22.9 13 16 A Q G < S+ 0 0 136 -3,-1.9 -1,-0.3 -4,-0.4 -2,-0.2 0.316 85.9 113.6-120.7 15.7 7.7 62.7 20.8 14 17 A Q S <> S- 0 0 115 -3,-2.3 4,-1.2 -4,-0.2 -3,-0.0 -0.058 78.6 -93.8 -82.2-166.3 4.1 62.4 20.6 15 18 A P H >> S+ 0 0 80 0, 0.0 4,-2.1 0, 0.0 3,-1.3 0.969 115.1 43.7 -66.0 -75.4 1.9 65.2 22.4 16 19 A Y H 3> S+ 0 0 41 1,-0.3 4,-3.1 2,-0.2 5,-0.2 0.731 110.0 58.2 -35.6 -44.2 1.1 64.0 25.8 17 20 A F H 3> S+ 0 0 5 1,-0.2 4,-1.9 -6,-0.2 -1,-0.3 0.910 110.0 40.6 -62.9 -44.2 4.7 62.8 26.5 18 21 A L H S+ 0 0 38 -4,-2.0 5,-2.7 1,-0.2 4,-0.9 0.925 109.2 52.2 -60.0 -43.5 6.9 72.5 38.9 28 31 A R H ><5S+ 0 0 70 -4,-1.1 3,-1.0 -5,-0.2 -1,-0.2 0.937 109.1 51.0 -56.3 -47.0 10.5 71.9 39.5 29 32 A Q H 3<5S+ 0 0 170 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.823 105.6 52.7 -62.1 -37.8 11.3 75.4 38.2 30 33 A S H 3<5S- 0 0 96 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.621 130.2 -92.7 -75.4 -12.2 8.7 77.1 40.4 31 34 A G T <<5S+ 0 0 62 -3,-1.0 2,-0.4 -4,-0.9 -3,-0.2 0.633 74.3 145.3 113.3 16.5 10.3 75.4 43.4 32 35 A V < - 0 0 53 -5,-2.7 2,-0.8 -6,-0.2 -1,-0.3 -0.715 48.1-128.3 -87.5 131.9 8.4 72.2 44.0 33 36 A T - 0 0 80 -2,-0.4 94,-3.1 94,-0.2 2,-0.4 -0.706 31.6-173.8 -83.6 111.0 10.4 69.2 45.2 34 37 A I E -A 126 0A 5 -2,-0.8 92,-0.2 92,-0.2 4,-0.1 -0.886 19.0-109.7-110.4 135.3 9.7 66.2 42.9 35 38 A Y E S+A 125 0A 52 90,-2.9 90,-2.1 -2,-0.4 35,-0.1 -0.894 83.3 32.0-112.1 143.6 10.9 62.7 43.5 36 39 A P S S- 0 0 2 0, 0.0 34,-0.1 0, 0.0 89,-0.1 0.534 88.8-108.6 -87.3-168.6 12.8 61.0 42.2 37 40 A P >> - 0 0 39 0, 0.0 3,-1.4 0, 0.0 4,-1.2 -0.484 34.8-116.9 -70.7 155.1 15.7 63.2 40.7 38 41 A Q H >> S+ 0 0 73 1,-0.3 3,-2.0 2,-0.2 4,-0.5 0.965 111.8 66.7 -64.7 -48.7 15.4 63.2 36.9 39 42 A K H 34 S+ 0 0 150 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.757 111.7 40.9 -35.5 -26.6 18.7 61.4 36.2 40 43 A D H X4 S+ 0 0 10 -3,-1.4 3,-2.8 1,-0.1 -1,-0.3 0.707 85.6 97.2 -94.3 -24.9 16.8 58.5 37.9 41 44 A V H << S+ 0 0 6 -3,-2.0 3,-0.3 -4,-1.2 -2,-0.1 0.764 96.0 31.2 -35.9 -44.1 13.4 59.0 36.4 42 45 A F T >X S+ 0 0 56 -4,-0.5 4,-0.8 -3,-0.2 3,-0.8 -0.013 79.2 123.7-111.4 32.7 14.0 56.3 33.7 43 46 A N H <> + 0 0 4 -3,-2.8 4,-2.5 1,-0.2 5,-0.3 0.767 64.5 67.1 -58.6 -33.8 16.3 53.9 35.6 44 47 A A H 3> S+ 0 0 5 27,-0.7 4,-1.6 -4,-0.3 -1,-0.2 0.895 107.4 40.1 -57.1 -40.1 14.1 50.9 35.1 45 48 A F H <4 S+ 0 0 21 -3,-0.8 -1,-0.2 2,-0.2 -2,-0.2 0.651 111.4 58.7 -82.1 -19.0 14.8 51.0 31.3 46 49 A R H < S+ 0 0 160 -4,-0.8 -2,-0.2 -3,-0.2 -1,-0.2 0.887 115.1 34.7 -72.8 -48.1 18.5 51.9 32.0 47 50 A F H < S+ 0 0 16 -4,-2.5 2,-0.5 1,-0.2 -2,-0.2 0.829 121.8 46.1 -80.0 -34.3 19.1 48.7 34.0 48 51 A T S < S- 0 0 1 -4,-1.6 -1,-0.2 -5,-0.3 2,-0.1 -0.932 74.4-153.8-118.5 112.4 16.8 46.4 32.1 49 52 A E > - 0 0 50 -2,-0.5 3,-0.9 -3,-0.1 4,-0.3 -0.432 29.6-110.7 -81.1 156.5 16.9 46.3 28.3 50 53 A L G > S+ 0 0 2 1,-0.3 3,-1.3 2,-0.2 -47,-0.2 0.909 120.4 49.1 -49.4 -49.4 13.9 45.3 26.2 51 54 A G G 3 S+ 0 0 32 -49,-0.9 -1,-0.3 1,-0.2 -48,-0.1 0.758 108.7 55.0 -64.0 -25.9 15.6 42.2 25.1 52 55 A D G < S+ 0 0 97 -3,-0.9 2,-0.4 64,-0.0 -1,-0.2 0.249 74.1 123.9 -92.0 8.8 16.6 41.3 28.7 53 56 A V < + 0 0 1 -3,-1.3 63,-0.2 -4,-0.3 3,-0.1 -0.603 16.1 146.5 -76.6 127.6 13.1 41.3 30.2 54 57 A K + 0 0 35 61,-2.6 103,-3.2 1,-0.5 2,-0.4 0.595 68.2 21.1-123.0 -48.8 12.3 38.0 31.9 55 58 A V E -cd 116 157B 0 60,-1.4 62,-2.0 101,-0.2 -1,-0.5 -0.946 65.7-158.9-126.3 147.5 10.1 39.0 34.8 56 59 A V E -cd 117 158B 1 101,-3.0 103,-3.5 -2,-0.4 2,-0.5 -0.977 4.9-171.4-135.5 124.9 8.1 42.1 35.4 57 60 A I E -cd 118 159B 0 60,-1.6 62,-1.0 -2,-0.4 2,-0.3 -0.950 18.7-139.2-114.6 124.4 6.8 43.6 38.6 58 61 A L E -c 119 0B 11 101,-1.2 103,-0.3 -2,-0.5 62,-0.2 -0.648 18.7-174.8 -89.9 138.4 4.4 46.5 38.6 59 62 A G E -c 120 0B 7 60,-2.3 62,-1.8 -2,-0.3 14,-0.1 -0.555 20.1-139.3-115.6-178.1 4.6 49.5 41.0 60 63 A Q - 0 0 22 1,-0.4 62,-2.8 60,-0.2 -1,-0.2 0.609 65.5 -30.4-107.9 -95.1 2.3 52.5 41.5 61 64 A D S S- 0 0 20 60,-0.2 -1,-0.4 59,-0.1 62,-0.2 -0.864 73.1 -75.8-128.7 166.0 4.2 55.7 42.1 62 65 A P - 0 0 11 0, 0.0 2,-0.4 0, 0.0 69,-0.2 -0.118 54.6 -91.4 -56.8 150.6 7.6 56.8 43.6 63 66 A Y - 0 0 27 1,-0.2 6,-0.6 67,-0.1 62,-0.1 -0.482 35.9-151.4 -62.3 116.9 8.3 57.0 47.4 64 67 A H + 0 0 20 -2,-0.4 64,-1.1 -3,-0.1 -1,-0.2 0.553 67.2 90.4 -72.6 -8.4 7.4 60.6 48.2 65 68 A G S S- 0 0 10 176,-0.2 4,-0.5 62,-0.2 3,-0.3 -0.363 88.9 -87.7 -81.9 169.0 9.8 60.8 51.1 66 69 A P S S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.515 104.5 5.9 -79.6 143.1 13.5 62.0 50.7 67 70 A G S S+ 0 0 36 -2,-0.2 10,-0.6 2,-0.1 13,-0.1 0.194 107.7 100.4 75.1 -20.4 16.3 59.7 49.8 68 71 A Q + 0 0 17 -3,-0.3 9,-1.0 8,-0.1 12,-0.1 0.977 67.7 47.5 -60.1 -90.1 13.8 57.0 49.3 69 72 A A B +F 76 0C 11 -6,-0.6 7,-0.1 -4,-0.5 -2,-0.1 -0.148 47.1 170.3 -59.0 148.0 13.0 56.4 45.6 70 73 A H - 0 0 3 5,-0.5 -1,-0.1 2,-0.3 3,-0.1 0.071 69.5 -73.3-146.8 25.9 15.7 56.2 42.9 71 74 A G S S+ 0 0 16 1,-0.2 -27,-0.7 4,-0.1 2,-0.4 0.317 100.7 101.3 100.9 -8.8 13.8 55.1 39.8 72 75 A L S S- 0 0 5 3,-0.4 -2,-0.3 -29,-0.1 -1,-0.2 -0.907 76.7-106.1-114.3 138.8 13.0 51.4 40.6 73 76 A A S S- 0 0 0 45,-1.8 2,-4.1 -2,-0.4 35,-0.1 -0.258 98.9 -9.9 -56.8 146.0 9.7 50.0 41.7 74 77 A F S S+ 0 0 17 1,-0.1 -1,-0.2 33,-0.0 12,-0.1 -0.098 107.7 116.3 57.5 -45.3 9.7 49.0 45.4 75 78 A S - 0 0 0 -2,-4.1 -5,-0.5 33,-0.1 -3,-0.4 -0.245 45.7-167.6 -58.0 130.7 13.6 49.5 45.6 76 79 A V B -F 69 0C 0 30,-1.5 32,-0.2 -7,-0.1 -7,-0.2 -0.552 32.0 -85.7-109.3 176.4 14.9 52.2 47.9 77 80 A R > - 0 0 76 -9,-1.0 3,-1.7 -10,-0.6 29,-0.3 -0.507 55.5 -92.7 -80.6 153.1 18.4 53.7 48.2 78 81 A P T 3 S+ 0 0 61 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.378 114.3 37.1 -64.4 145.9 20.9 51.9 50.5 79 82 A G T 3 S+ 0 0 83 1,-0.4 2,-0.3 -3,-0.1 3,-0.0 0.148 93.7 113.1 96.8 -19.2 20.8 53.2 54.0 80 83 A I S < S- 0 0 53 -3,-1.7 26,-0.4 -13,-0.1 -1,-0.4 -0.677 78.6 -98.5 -90.4 142.9 17.1 53.7 53.9 81 84 A A - 0 0 62 -2,-0.3 -1,-0.1 1,-0.1 -4,-0.1 -0.298 44.0-102.6 -59.2 135.1 14.7 51.6 56.0 82 85 A I - 0 0 32 1,-0.1 -1,-0.1 22,-0.1 -7,-0.1 -0.442 41.8-119.3 -63.6 119.1 13.1 48.7 54.2 83 86 A P >> - 0 0 0 0, 0.0 4,-2.7 0, 0.0 3,-0.8 -0.288 21.6-110.3 -63.2 143.6 9.5 49.7 53.3 84 87 A P H 3> S+ 0 0 6 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.826 116.4 45.0 -38.9 -54.0 6.7 47.6 54.7 85 88 A S H 3> S+ 0 0 0 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.847 114.2 49.3 -67.2 -33.3 5.6 46.0 51.4 86 89 A L H <> S+ 0 0 0 -3,-0.8 4,-2.5 2,-0.2 -1,-0.2 0.918 108.5 53.4 -71.4 -41.0 9.2 45.2 50.4 87 90 A L H X S+ 0 0 43 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.892 108.6 49.7 -58.3 -41.2 9.9 43.6 53.8 88 91 A N H X S+ 0 0 7 -4,-1.8 4,-2.0 -5,-0.3 -1,-0.2 0.875 107.6 54.0 -66.0 -37.1 6.9 41.4 53.3 89 92 A M H X S+ 0 0 0 -4,-1.5 4,-2.1 1,-0.2 -2,-0.2 0.946 107.0 53.4 -59.1 -46.2 8.2 40.5 49.9 90 93 A Y H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.846 104.4 53.7 -55.8 -41.8 11.4 39.5 51.6 91 94 A K H X S+ 0 0 64 -4,-1.7 4,-3.2 2,-0.2 5,-0.2 0.948 107.0 51.3 -61.3 -49.3 9.7 37.2 54.1 92 95 A E H X S+ 0 0 4 -4,-2.0 4,-1.6 1,-0.3 5,-0.3 0.957 110.2 48.4 -52.0 -55.9 8.0 35.3 51.3 93 96 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -1,-0.3 0.843 111.5 52.2 -54.2 -34.8 11.4 34.8 49.5 94 97 A E H < S+ 0 0 53 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.960 113.8 42.2 -65.5 -50.1 12.7 33.7 52.8 95 98 A N H < S+ 0 0 120 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.562 123.4 37.5 -73.7 -10.9 9.9 31.1 53.3 96 99 A T H < S+ 0 0 26 -4,-1.6 -3,-0.2 -5,-0.2 -2,-0.2 0.782 107.1 59.1-109.6 -41.3 10.0 29.9 49.7 97 100 A I S >< S- 0 0 41 -4,-2.3 3,-1.0 -5,-0.3 -1,-0.2 -0.817 82.2-126.4 -97.6 124.0 13.7 29.9 48.6 98 101 A P T 3 S+ 0 0 122 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.449 93.6 13.9 -65.8 132.2 16.1 27.7 50.6 99 102 A G T 3 S+ 0 0 76 1,-0.3 -5,-0.1 -2,-0.2 -2,-0.0 0.073 89.5 134.9 92.2 -26.2 19.1 29.6 51.8 100 103 A F < - 0 0 21 -3,-1.0 2,-0.4 -7,-0.2 -1,-0.3 -0.332 33.6-173.6 -59.3 136.4 17.6 33.0 51.1 101 104 A T - 0 0 84 -3,-0.1 -10,-0.0 -2,-0.0 -1,-0.0 -0.998 34.7 -86.0-140.2 137.6 18.2 35.4 54.0 102 105 A R - 0 0 110 -2,-0.4 116,-0.0 1,-0.1 -15,-0.0 -0.097 35.2-146.7 -43.6 123.4 17.0 38.9 54.8 103 106 A P - 0 0 22 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.798 17.9-133.7 -61.4 -41.2 19.4 41.5 53.1 104 107 A N S S+ 0 0 93 1,-0.2 2,-0.3 2,-0.0 -2,-0.1 0.502 83.1 66.4 88.5 7.9 19.3 44.3 55.7 105 108 A H S S- 0 0 27 114,-0.1 -1,-0.2 -27,-0.1 -24,-0.1 -0.983 70.9-142.0-154.0 155.4 18.9 46.7 52.8 106 109 A G + 0 0 0 -26,-0.4 -30,-1.5 -29,-0.3 2,-1.0 0.164 52.8 130.6-110.4 21.9 16.3 47.5 50.1 107 110 A Y - 0 0 39 -32,-0.2 3,-0.4 1,-0.1 2,-0.3 -0.630 31.1-177.3 -80.8 101.0 18.5 48.3 47.1 108 111 A L > + 0 0 0 -2,-1.0 4,-0.9 -32,-0.2 3,-0.4 -0.101 41.6 116.7 -92.7 37.6 17.2 46.2 44.1 109 112 A E H >> S+ 0 0 28 -2,-0.3 4,-2.1 1,-0.2 3,-1.9 0.975 72.1 59.1 -66.4 -52.2 19.6 46.9 41.3 110 113 A S H 3> S+ 0 0 22 110,-0.6 4,-0.9 -3,-0.4 -1,-0.2 0.730 101.2 57.7 -47.3 -27.9 20.9 43.3 40.9 111 114 A W H 34>S+ 0 0 0 -3,-0.4 5,-2.1 2,-0.2 -1,-0.3 0.847 107.7 46.6 -73.0 -34.7 17.3 42.2 40.2 112 115 A A H X<5S+ 0 0 1 -3,-1.9 3,-1.9 -4,-0.9 -2,-0.2 0.915 107.4 55.4 -73.3 -43.6 17.1 44.6 37.3 113 116 A R H 3<5S+ 0 0 147 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.792 104.8 56.5 -58.4 -28.3 20.5 43.6 35.9 114 117 A Q T 3<5S- 0 0 53 -4,-0.9 -1,-0.3 -5,-0.3 -2,-0.2 0.451 134.5 -82.7 -83.1 -4.8 19.1 40.0 35.9 115 118 A G T < 5S+ 0 0 0 -3,-1.9 -61,-2.6 1,-0.3 -60,-1.4 0.540 85.1 136.0 114.3 10.2 16.2 40.8 33.7 116 119 A V E < -c 55 0B 0 -5,-2.1 2,-0.9 -63,-0.2 -1,-0.3 -0.829 39.1-157.1 -98.3 118.0 13.7 42.2 36.2 117 120 A L E -c 56 0B 0 -62,-2.0 -60,-1.6 -2,-0.7 2,-1.4 -0.819 4.0-167.8 -94.0 104.0 11.9 45.3 35.1 118 121 A L E +c 57 0B 1 -2,-0.9 -45,-1.8 -62,-0.2 2,-0.5 -0.732 22.2 174.2 -92.4 83.1 10.7 47.1 38.2 119 122 A L E -c 58 0B 3 -2,-1.4 -60,-2.3 -62,-1.0 2,-0.4 -0.827 23.1-149.4 -99.9 131.1 8.4 49.6 36.4 120 123 A N E -c 59 0B 20 -2,-0.5 -60,-0.2 -62,-0.2 -59,-0.1 -0.796 17.3-133.7 -94.7 136.4 6.1 52.0 38.3 121 124 A T S S+ 0 0 5 -62,-1.8 2,-0.5 -2,-0.4 21,-0.4 0.890 99.3 37.4 -57.2 -37.2 2.9 52.9 36.5 122 125 A V S S- 0 0 3 -62,-2.8 -1,-0.2 1,-0.1 12,-0.1 -0.969 73.0-159.5-117.7 128.2 3.6 56.6 37.4 123 126 A L + 0 0 12 -2,-0.5 2,-0.3 -62,-0.2 -1,-0.1 0.502 64.5 38.0 -89.1 -6.0 7.1 57.9 37.3 124 127 A T - 0 0 0 9,-0.1 9,-0.4 -62,-0.1 2,-0.3 -0.939 54.1-172.6-140.7 164.5 7.1 61.0 39.5 125 128 A V E -A 35 0A 0 -90,-2.1 -90,-2.9 -2,-0.3 2,-0.6 -0.991 31.6-110.0-155.3 148.9 5.6 62.4 42.7 126 129 A R E > -AB 34 129A 65 3,-0.6 3,-1.8 -2,-0.3 -92,-0.2 -0.734 52.0-100.5 -82.6 118.6 5.5 65.7 44.7 127 130 A A T 3 S+ 0 0 30 -94,-3.1 2,-0.2 -2,-0.6 -62,-0.2 -0.088 107.3 10.1 -39.0 119.5 7.6 65.4 47.8 128 131 A G T 3 S+ 0 0 45 -64,-1.1 2,-0.8 1,-0.1 -1,-0.3 -0.259 109.7 86.3 102.1 -46.7 5.0 64.7 50.6 129 132 A Q B X -B 126 0A 83 -3,-1.8 3,-1.3 -2,-0.2 -3,-0.6 -0.800 68.9-146.5 -98.1 106.3 1.9 64.1 48.6 130 133 A A T 3 S+ 0 0 4 -2,-0.8 154,-0.1 1,-0.2 -67,-0.1 -0.416 82.4 13.3 -67.4 141.3 1.5 60.5 47.5 131 134 A H T > S+ 0 0 21 -69,-0.2 3,-1.4 -2,-0.1 -1,-0.2 0.618 82.3 139.4 68.4 16.0 -0.2 60.0 44.1 132 135 A S T < + 0 0 18 -3,-1.3 -7,-0.1 1,-0.3 -2,-0.1 0.858 67.2 49.0 -58.9 -38.6 0.2 63.7 43.2 133 136 A H T > S+ 0 0 0 -9,-0.4 3,-1.1 -11,-0.0 5,-0.4 0.059 75.2 128.9 -94.5 26.6 1.1 63.1 39.6 134 137 A A T < S+ 0 0 19 -3,-1.4 -12,-0.0 1,-0.3 -73,-0.0 -0.514 76.7 23.4 -72.4 149.7 -1.6 60.7 38.7 135 138 A S T 3 S+ 0 0 110 -2,-0.1 -1,-0.3 1,-0.1 -2,-0.0 0.779 87.7 115.1 65.3 24.5 -3.4 61.9 35.5 136 139 A L S < S- 0 0 38 -3,-1.1 -2,-0.1 -113,-0.0 -113,-0.1 0.619 99.3 -92.7 -95.4 -18.3 -0.3 63.9 34.4 137 140 A G S > S+ 0 0 15 -4,-0.2 4,-1.2 -118,-0.1 3,-0.1 0.239 98.7 111.0 125.7 -9.2 0.1 61.6 31.4 138 141 A W H > S+ 0 0 1 -5,-0.4 4,-2.4 1,-0.2 5,-0.4 0.879 72.0 57.9 -62.1 -45.9 2.5 58.9 32.8 139 142 A E H > S+ 0 0 51 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.910 103.9 54.7 -52.1 -45.8 -0.0 56.0 32.9 140 143 A T H > S+ 0 0 76 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.900 111.1 46.1 -53.3 -46.0 -0.6 56.5 29.2 141 144 A F H X S+ 0 0 2 -4,-1.2 4,-2.0 -3,-0.2 3,-0.4 0.983 117.2 39.0 -63.1 -63.2 3.2 56.1 28.7 142 145 A T H X S+ 0 0 0 -4,-2.4 4,-2.4 -21,-0.4 5,-0.2 0.864 110.6 62.6 -57.2 -36.7 3.9 53.1 30.9 143 146 A D H X S+ 0 0 60 -4,-3.3 4,-2.0 -5,-0.4 -1,-0.2 0.943 106.1 45.7 -51.0 -49.4 0.6 51.6 29.6 144 147 A K H X S+ 0 0 70 -4,-1.8 4,-2.0 -3,-0.4 -1,-0.2 0.894 106.6 58.8 -60.5 -44.5 2.2 51.7 26.2 145 148 A V H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 3,-0.2 0.921 106.6 47.3 -51.6 -50.0 5.4 50.2 27.5 146 149 A I H X S+ 0 0 3 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.936 110.6 52.3 -58.0 -47.3 3.5 47.1 28.7 147 150 A S H X S+ 0 0 26 -4,-2.0 4,-1.2 -5,-0.2 -1,-0.2 0.810 108.3 52.5 -59.8 -30.2 1.8 46.9 25.4 148 151 A L H X S+ 0 0 7 -4,-2.0 4,-2.3 -3,-0.2 -1,-0.2 0.934 110.4 45.1 -73.0 -46.2 5.2 47.0 23.7 149 152 A I H X S+ 0 0 1 -4,-2.3 4,-0.8 1,-0.2 -2,-0.2 0.887 111.8 54.8 -62.7 -39.1 6.7 44.1 25.7 150 153 A N H < S+ 0 0 23 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.823 117.4 34.4 -64.4 -32.4 3.4 42.2 25.2 151 154 A Q H < S+ 0 0 107 -4,-1.2 -2,-0.2 -3,-0.2 -1,-0.2 0.687 122.7 42.7 -97.3 -22.7 3.7 42.5 21.4 152 155 A H H < S+ 0 0 74 -4,-2.3 2,-0.3 -5,-0.1 -2,-0.2 0.257 110.9 54.1-108.6 11.2 7.4 42.3 20.9 153 156 A R < - 0 0 56 -4,-0.8 2,-0.3 -5,-0.1 3,-0.1 -0.869 59.3-149.7-139.5 173.6 8.3 39.5 23.3 154 157 A E S S+ 0 0 52 -2,-0.3 23,-0.2 1,-0.1 22,-0.1 -0.994 71.7 14.7-148.2 138.3 7.5 36.0 24.2 155 158 A G S S+ 0 0 8 21,-2.8 2,-0.3 -2,-0.3 22,-0.2 0.920 75.8 155.1 67.2 47.2 7.6 34.0 27.5 156 159 A V - 0 0 0 20,-0.3 22,-2.7 -3,-0.1 2,-0.5 -0.814 39.0-129.8-105.0 146.8 7.8 36.9 29.9 157 160 A V E -de 55 178B 0 -103,-3.2 -101,-3.0 -2,-0.3 2,-0.6 -0.869 17.5-161.8-102.4 125.0 6.6 36.6 33.5 158 161 A F E -de 56 179B 1 20,-3.7 22,-3.1 -2,-0.5 2,-0.9 -0.908 2.5-163.2-110.1 115.1 4.3 39.3 34.9 159 162 A L E +de 57 180B 0 -103,-3.5 -101,-1.2 -2,-0.6 2,-0.8 -0.793 12.5 179.9-101.7 98.2 3.9 39.7 38.6 160 163 A L E - e 0 181B 1 20,-2.7 22,-1.3 -2,-0.9 2,-0.6 -0.844 3.0-176.1-104.6 104.2 0.7 41.7 39.3 161 164 A W E + e 0 182B 9 -2,-0.8 4,-0.4 -103,-0.3 23,-0.2 -0.875 53.5 12.0-102.6 118.4 -0.0 42.3 43.0 162 165 A G S > S- 0 0 5 20,-2.4 4,-2.4 -2,-0.6 5,-0.2 -0.057 90.6 -81.4 101.5 156.1 -3.2 44.1 43.9 163 166 A S H > S+ 0 0 27 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.887 125.2 56.4 -58.8 -44.2 -6.3 45.0 41.9 164 167 A H H > S+ 0 0 49 81,-0.3 4,-1.0 2,-0.2 3,-0.3 0.941 111.1 42.0 -55.5 -51.3 -4.6 48.1 40.4 165 168 A A H >> S+ 0 0 9 -4,-0.4 4,-1.1 1,-0.2 3,-0.8 0.945 111.4 54.9 -62.8 -48.7 -1.7 46.1 38.9 166 169 A Q H 3< S+ 0 0 51 -4,-2.4 4,-0.5 1,-0.2 -1,-0.2 0.788 100.2 62.9 -55.8 -29.7 -3.9 43.3 37.7 167 170 A K H >< S+ 0 0 150 -4,-1.8 3,-1.2 -3,-0.3 -1,-0.2 0.889 101.7 48.1 -63.9 -42.1 -6.0 45.8 35.8 168 171 A K H X< S+ 0 0 25 -4,-1.0 3,-1.3 -3,-0.8 4,-0.4 0.745 100.1 71.9 -68.9 -22.0 -3.1 46.9 33.6 169 172 A G G >< S+ 0 0 7 -4,-1.1 3,-0.6 1,-0.3 -1,-0.3 0.756 71.4 86.1 -64.7 -24.4 -2.6 43.2 33.1 170 173 A A G < S+ 0 0 79 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.807 85.7 56.8 -45.5 -34.8 -5.8 43.1 31.0 171 174 A I G < S+ 0 0 69 -3,-1.3 -1,-0.2 -4,-0.2 -2,-0.2 0.939 84.6 94.9 -64.0 -51.0 -3.5 44.0 28.0 172 175 A I S < S- 0 0 6 -3,-0.6 2,-0.7 -4,-0.4 -25,-0.1 -0.194 77.8-126.9 -52.5 125.4 -1.1 41.0 28.4 173 176 A D > - 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0 0 71 -5,-2.9 -1,-0.2 -6,-0.2 -2,-0.2 -0.698 60.9-113.3 -99.4 148.0 4.6 133.1 70.9 520 216 C T - 0 0 101 -2,-0.3 -1,-0.0 -3,-0.1 -6,-0.0 -0.649 40.1-122.3 -77.9 122.7 5.8 130.9 73.6 521 217 C P - 0 0 50 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.168 26.3-100.2 -54.1 178.7 6.0 132.8 76.9 522 218 C I - 0 0 10 -15,-0.2 2,-1.3 -100,-0.0 -11,-0.1 -0.863 15.7-133.9-108.6 139.6 9.2 133.2 79.0 523 219 C D - 0 0 101 -2,-0.4 -102,-0.1 1,-0.2 0, 0.0 -0.770 21.8-168.8 -91.9 95.3 10.0 131.3 82.1 524 220 C W + 0 0 4 -2,-1.3 -1,-0.2 2,-0.1 -106,-0.1 0.562 56.5 102.6 -61.2 -11.8 11.1 134.2 84.3 525 221 C M S S- 0 0 46 -108,-0.1 2,-0.1 -3,-0.1 -2,-0.1 -0.654 76.0-131.3 -77.3 115.5 12.6 131.9 86.9 526 222 C P - 0 0 5 0, 0.0 2,-0.4 0, 0.0 -111,-0.1 -0.442 21.4-160.5 -68.4 138.3 16.3 131.9 86.3 527 223 C V - 0 0 88 -2,-0.1 -110,-0.4 -113,-0.1 -109,-0.1 -0.948 17.8-125.0-120.3 142.3 17.9 128.5 86.2 528 224 C L - 0 0 89 -2,-0.4 -113,-0.1 -112,-0.1 0, 0.0 -0.757 30.2-141.2 -85.9 115.8 21.6 127.8 86.8 529 225 C P + 0 0 69 0, 0.0 2,-0.3 0, 0.0 -1,-0.0 -0.142 22.4 177.1 -71.6 177.3 23.0 125.9 83.8 530 226 C A 0 0 95 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.823 360.0 360.0-174.6 138.7 25.6 123.1 84.0 531 227 C E 0 0 159 -2,-0.3 0, 0.0 0, 0.0 0, 0.0 0.316 360.0 360.0-175.8 360.0 27.0 121.1 81.1 532 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 533 2 D T > 0 0 73 0, 0.0 4,-0.7 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0-120.8 35.9 153.2 96.2 534 3 D N H > + 0 0 132 1,-0.2 4,-2.3 2,-0.2 3,-0.4 0.821 360.0 71.0 -85.1 5.3 36.7 156.4 98.1 535 4 D L H > S+ 0 0 23 1,-0.3 4,-2.7 2,-0.2 3,-0.2 0.961 90.7 56.1 -63.7 -53.0 32.8 156.7 97.9 536 5 D S H > S+ 0 0 26 -3,-0.3 4,-2.2 1,-0.3 11,-0.4 0.774 108.2 49.4 -53.8 -28.1 32.6 153.8 100.4 537 6 D D H X S+ 0 0 82 -4,-0.7 4,-3.8 -3,-0.4 -1,-0.3 0.852 108.2 50.5 -79.3 -39.1 34.8 156.1 102.6 538 7 D I H X S+ 0 0 29 -4,-2.3 4,-0.6 -3,-0.2 -2,-0.2 0.852 113.1 49.2 -64.9 -35.1 32.5 159.1 102.1 539 8 D I H >X S+ 0 0 0 -4,-2.7 4,-1.6 -5,-0.2 3,-1.1 0.975 116.5 39.2 -66.6 -57.1 29.7 156.7 103.1 540 9 D E H 3X S+ 0 0 69 -4,-2.2 4,-4.3 1,-0.3 3,-0.4 0.919 110.6 59.6 -58.5 -47.7 31.4 155.4 106.2 541 10 D K H 3< S+ 0 0 151 -4,-3.8 -1,-0.3 1,-0.3 -2,-0.2 0.713 115.7 36.6 -55.4 -21.3 32.8 158.9 107.0 542 11 D E H << S+ 0 0 58 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.618 135.8 19.0-106.2 -17.8 29.1 160.0 107.2 543 12 D T H < S- 0 0 41 -4,-1.6 -3,-0.2 -3,-0.4 -2,-0.2 0.349 90.1-121.2-135.2 4.3 27.5 156.9 108.7 544 13 D G S < S+ 0 0 67 -4,-4.3 2,-0.6 1,-0.2 -4,-0.2 0.728 73.1 134.4 58.7 17.0 30.3 154.9 110.4 545 14 D K - 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