==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-JUL-03 1UI1 . COMPND 2 MOLECULE: URACIL-DNA GLYCOSYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR J.HOSEKI,A.OKAMOTO,R.MASUI,T.SHIBATA,Y.INOUE,S.YOKOYAMA, . 188 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9338.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 118 62.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 8.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 3.7 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 . 1 0.5 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 0.5 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 . 5 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 60 31.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.1 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 1 0 2 0 3 0 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 0 PARALLEL BRIDGES PER LADDER . 0 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 2 A T > 0 0 121 0, 0.0 4,-1.6 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 174.7 34.2 -10.8 60.2 2 3 A L H > + 0 0 32 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.814 360.0 53.7 -71.1 -30.9 35.6 -7.5 59.3 3 4 A E H > S+ 0 0 153 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.699 105.5 50.8 -80.0 -19.4 38.0 -7.7 62.2 4 5 A L H > S+ 0 0 95 -3,-0.2 4,-3.0 2,-0.2 5,-0.2 0.900 112.3 49.0 -78.1 -42.4 39.4 -11.1 61.2 5 6 A L H X S+ 0 0 13 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.892 112.0 48.4 -60.6 -42.2 39.9 -9.6 57.7 6 7 A Q H X S+ 0 0 79 -4,-2.0 4,-0.7 2,-0.2 -1,-0.2 0.922 112.2 49.1 -63.6 -45.8 41.7 -6.5 59.3 7 8 A A H >< S+ 0 0 55 -4,-1.6 3,-0.9 1,-0.2 4,-0.3 0.924 112.6 46.8 -59.1 -49.5 43.8 -8.8 61.4 8 9 A Q H >< S+ 0 0 98 -4,-3.0 3,-2.3 1,-0.2 -2,-0.2 0.903 102.7 63.7 -60.2 -46.6 44.8 -11.0 58.4 9 10 A A H >< S+ 0 0 2 -4,-2.4 3,-1.4 1,-0.3 -1,-0.2 0.697 86.6 73.3 -52.2 -26.2 45.6 -8.0 56.2 10 11 A Q T << S+ 0 0 53 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.746 101.4 43.0 -62.6 -24.7 48.4 -6.9 58.5 11 12 A N T < S+ 0 0 129 -3,-2.3 -1,-0.3 -4,-0.3 -2,-0.2 0.269 85.2 135.0-106.0 12.5 50.5 -9.8 57.2 12 13 A C < + 0 0 23 -3,-1.4 -3,-0.0 -4,-0.1 3,-0.0 -0.345 20.7 166.1 -66.9 135.6 49.7 -9.4 53.5 13 14 A T + 0 0 93 -2,-0.1 -1,-0.1 1,-0.0 5,-0.0 -0.068 33.6 123.8-139.0 33.4 52.5 -9.6 51.0 14 15 A A S S+ 0 0 42 81,-0.0 2,-0.3 3,-0.0 84,-0.0 0.703 71.7 34.0 -72.3 -23.7 50.6 -9.9 47.7 15 16 A C S > S- 0 0 25 83,-0.0 3,-1.8 -3,-0.0 4,-0.2 -0.913 88.3-104.0-132.0 162.6 52.1 -6.9 45.9 16 17 A R G > S+ 0 0 110 -2,-0.3 3,-1.5 1,-0.3 4,-0.4 0.595 105.5 83.2 -58.9 -13.4 55.5 -5.2 45.8 17 18 A L G 3> S+ 0 0 2 1,-0.3 4,-0.9 2,-0.2 -1,-0.3 0.626 75.4 73.8 -68.3 -9.6 54.1 -2.3 48.0 18 19 A X G <4 S+ 0 0 65 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.772 82.6 70.3 -72.5 -26.1 54.9 -4.5 51.0 19 20 A E T <4 S+ 0 0 152 -3,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.913 106.6 31.7 -59.0 -49.3 58.6 -3.9 50.6 20 21 A G T 4 S+ 0 0 50 -4,-0.4 -1,-0.2 -3,-0.2 -2,-0.2 0.669 96.4 109.4 -87.2 -15.7 58.6 -0.2 51.6 21 22 A R < - 0 0 45 -4,-0.9 3,-0.1 1,-0.1 62,-0.1 -0.082 41.9-173.0 -64.1 159.3 55.7 -0.3 54.2 22 23 A T S S+ 0 0 97 1,-0.5 2,-0.3 25,-0.2 -1,-0.1 0.678 80.1 4.9-111.1 -55.7 56.0 0.1 58.0 23 24 A R S S- 0 0 103 24,-0.6 -1,-0.5 59,-0.1 2,-0.5 -0.947 74.8-119.6-132.4 149.9 52.3 -0.6 58.8 24 25 A V - 0 0 4 -2,-0.3 2,-1.1 -3,-0.1 59,-0.2 -0.814 18.7-147.6 -91.8 129.9 49.4 -1.7 56.6 25 26 A V + 0 0 0 57,-3.0 54,-0.3 -2,-0.5 26,-0.1 -0.746 29.7 163.3 -98.2 83.3 46.6 0.8 56.7 26 27 A F - 0 0 2 -2,-1.1 53,-0.3 24,-0.3 2,-0.2 0.910 49.9 -94.1 -67.6 -47.4 43.5 -1.5 56.2 27 28 A G - 0 0 4 23,-0.4 2,-0.3 51,-0.1 -1,-0.2 -0.729 35.3-147.3 146.1 164.9 40.8 1.0 57.4 28 29 A E E +A 77 0A 49 49,-1.7 49,-2.6 -2,-0.2 2,-0.3 -0.981 39.9 67.0-157.5 169.0 38.7 2.2 60.3 29 30 A G E S+A 76 0A 36 -2,-0.3 47,-0.3 47,-0.2 45,-0.1 -0.843 85.4 5.2 120.5-156.8 35.4 3.6 61.5 30 31 A N > - 0 0 46 45,-1.6 3,-1.1 42,-0.3 44,-0.1 -0.497 53.9-152.2 -69.2 121.7 31.9 2.3 61.7 31 32 A P T 3 S+ 0 0 79 0, 0.0 -1,-0.1 0, 0.0 45,-0.1 0.670 99.3 38.9 -68.9 -17.8 31.7 -1.4 60.7 32 33 A D T 3 S+ 0 0 120 43,-0.0 2,-0.1 3,-0.0 79,-0.1 -0.319 90.1 162.4-125.6 45.4 28.1 -0.9 59.5 33 34 A A < - 0 0 0 -3,-1.1 42,-0.1 1,-0.1 3,-0.1 -0.385 39.2-153.8 -70.5 142.2 28.6 2.5 58.0 34 35 A K S S+ 0 0 103 40,-0.5 80,-2.5 79,-0.2 81,-2.3 0.808 88.6 50.3 -80.4 -34.2 26.1 4.0 55.6 35 36 A L E -b 115 0A 3 39,-0.4 41,-2.0 78,-0.2 2,-0.4 -0.918 66.9-174.4-112.3 128.4 29.0 6.1 54.1 36 37 A X E -bc 116 76A 0 79,-2.2 81,-3.0 -2,-0.5 2,-0.5 -0.956 9.9-155.1-118.7 136.6 32.4 4.7 53.1 37 38 A I E -bc 117 77A 5 39,-3.1 41,-2.5 -2,-0.4 2,-0.5 -0.969 9.9-170.8-116.5 122.5 35.2 6.9 52.0 38 39 A V E +bc 118 78A 0 79,-2.1 81,-4.0 -2,-0.5 41,-0.3 -0.957 6.2 177.9-119.4 124.0 37.9 5.5 49.7 39 40 A G E - c 0 79A 0 39,-2.3 41,-1.9 -2,-0.5 81,-0.1 -0.343 40.2 -94.6-105.8-168.8 41.1 7.3 48.8 40 41 A E S S- 0 0 56 79,-0.3 41,-1.5 1,-0.3 40,-0.5 0.989 81.0 -50.5 -72.1 -69.3 44.2 6.5 46.7 41 42 A G - 0 0 16 39,-0.2 -1,-0.3 38,-0.2 41,-0.1 -0.962 64.2 -75.4-164.2 168.2 46.7 5.1 49.2 42 43 A P - 0 0 8 0, 0.0 2,-0.2 0, 0.0 46,-0.1 -0.175 39.1-153.4 -71.9 166.0 48.3 6.0 52.6 43 44 A G > - 0 0 7 41,-0.1 4,-2.9 44,-0.0 5,-0.2 -0.479 41.8 -60.2-121.9-163.7 51.0 8.6 53.3 44 45 A E H > S+ 0 0 108 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.906 131.5 35.4 -46.9 -64.4 53.8 9.3 55.8 45 46 A E H > S+ 0 0 83 1,-0.2 4,-2.4 2,-0.2 6,-0.3 0.809 117.4 54.9 -66.9 -29.0 51.8 9.5 59.0 46 47 A E H > S+ 0 0 19 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.902 107.7 49.6 -69.1 -40.8 49.4 6.8 57.8 47 48 A D H < S+ 0 0 11 -4,-2.9 -24,-0.6 1,-0.2 -2,-0.2 0.836 114.3 46.3 -65.4 -34.5 52.3 4.5 57.2 48 49 A K H < S+ 0 0 123 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.890 123.0 30.5 -77.9 -40.4 53.6 5.2 60.7 49 50 A T H < S- 0 0 49 -4,-2.4 -2,-0.2 2,-0.2 -3,-0.2 0.678 93.6-130.7 -93.1 -21.3 50.4 4.9 62.7 50 51 A G S < S+ 0 0 13 -4,-2.5 -23,-0.4 1,-0.3 -24,-0.3 0.553 71.6 118.1 80.5 5.3 48.6 2.3 60.6 51 52 A R - 0 0 112 -6,-0.3 3,-0.3 -5,-0.3 -1,-0.3 -0.860 66.9-117.2-107.5 140.0 45.5 4.6 60.6 52 53 A P S S+ 0 0 0 0, 0.0 25,-0.1 0, 0.0 -26,-0.0 -0.494 85.6 3.9 -77.2 144.5 44.0 6.1 57.4 53 54 A F S S+ 0 0 8 -2,-0.2 9,-0.1 1,-0.1 24,-0.0 0.928 80.9 127.9 46.7 70.0 43.9 9.9 56.9 54 55 A V + 0 0 21 -3,-0.3 -1,-0.1 7,-0.0 2,-0.0 0.428 52.4 76.8-125.4 -11.5 45.8 11.1 60.0 55 56 A G S > S- 0 0 15 4,-0.0 4,-2.4 3,-0.0 5,-0.2 -0.004 108.0 -59.4 -85.8-162.2 48.4 13.4 58.3 56 57 A K H > S+ 0 0 159 1,-0.2 4,-0.8 2,-0.2 0, 0.0 0.877 138.3 39.3 -47.7 -50.3 48.1 16.9 56.9 57 58 A A H > S+ 0 0 17 1,-0.2 4,-2.4 2,-0.2 3,-0.3 0.864 113.1 55.8 -71.3 -38.1 45.5 15.9 54.3 58 59 A G H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.835 103.6 55.0 -62.7 -33.1 43.7 13.6 56.7 59 60 A Q H X S+ 0 0 100 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.790 107.2 51.0 -70.3 -27.4 43.3 16.6 59.1 60 61 A L H X S+ 0 0 10 -4,-0.8 4,-2.9 -3,-0.3 3,-0.3 0.959 105.8 54.4 -71.1 -50.5 41.7 18.4 56.2 61 62 A L H X S+ 0 0 9 -4,-2.4 4,-2.4 1,-0.3 -2,-0.2 0.858 106.6 53.0 -48.6 -43.1 39.3 15.5 55.6 62 63 A N H X S+ 0 0 43 -4,-1.8 4,-2.5 2,-0.2 -1,-0.3 0.917 111.5 45.5 -59.4 -47.0 38.3 15.7 59.3 63 64 A R H X S+ 0 0 146 -4,-1.5 4,-1.8 -3,-0.3 -2,-0.2 0.912 112.1 49.9 -63.3 -46.4 37.5 19.4 58.9 64 65 A I H < S+ 0 0 23 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.897 112.7 50.2 -59.7 -40.1 35.6 19.0 55.7 65 66 A L H ><>S+ 0 0 1 -4,-2.4 5,-2.3 -5,-0.3 3,-1.5 0.934 111.5 43.6 -65.3 -51.4 33.6 16.2 57.4 66 67 A E H ><5S+ 0 0 131 -4,-2.5 3,-1.3 1,-0.3 -1,-0.2 0.767 103.4 67.9 -68.1 -24.8 32.6 18.1 60.6 67 68 A A T 3<5S+ 0 0 33 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.506 106.0 42.4 -70.8 -5.6 31.8 21.2 58.4 68 69 A A T < 5S- 0 0 13 -3,-1.5 -1,-0.3 2,-0.1 -2,-0.2 0.265 121.5-106.0-120.7 5.9 28.9 19.1 57.1 69 70 A G T < 5S+ 0 0 51 -3,-1.3 -3,-0.2 1,-0.2 -2,-0.1 0.674 74.8 139.2 76.7 19.6 27.8 17.6 60.4 70 71 A I < - 0 0 7 -5,-2.3 2,-0.3 -6,-0.1 -1,-0.2 -0.841 47.6-140.8-102.8 106.5 29.3 14.2 59.6 71 72 A P > - 0 0 46 0, 0.0 3,-1.9 0, 0.0 4,-0.2 -0.482 8.6-140.0 -68.3 122.3 31.0 12.5 62.6 72 73 A R G > S+ 0 0 39 -2,-0.3 3,-1.5 1,-0.3 -42,-0.3 0.804 98.4 60.5 -49.7 -38.6 34.2 10.7 61.4 73 74 A E G 3 S+ 0 0 132 1,-0.3 -1,-0.3 -44,-0.1 -43,-0.1 0.693 98.3 58.9 -66.6 -20.2 33.6 7.7 63.8 74 75 A E G < S+ 0 0 118 -3,-1.9 -40,-0.5 -45,-0.1 -39,-0.4 0.415 101.9 63.3 -90.7 3.5 30.3 6.9 62.1 75 76 A V S < S- 0 0 4 -3,-1.5 -45,-1.6 -4,-0.2 2,-0.5 -0.741 79.2-123.9-120.1 167.8 31.8 6.4 58.6 76 77 A Y E -Ac 29 36A 6 -41,-2.0 -39,-3.1 -47,-0.3 2,-0.4 -0.969 25.4-165.4-116.9 129.8 34.4 3.9 57.3 77 78 A I E +Ac 28 37A 2 -49,-2.6 -49,-1.7 -2,-0.5 2,-0.2 -0.929 22.4 130.2-120.5 139.1 37.6 5.1 55.7 78 79 A T E - c 0 38A 0 -41,-2.5 -39,-2.3 -2,-0.4 2,-0.3 -0.844 37.4-121.1-157.9-168.2 40.2 3.3 53.5 79 80 A N E - c 0 39A 2 -53,-0.3 -39,-0.3 -41,-0.3 -38,-0.2 -0.878 33.7-101.0-142.2 170.1 42.1 3.5 50.2 80 81 A I S S+ 0 0 2 -41,-1.9 2,-0.3 -40,-0.5 24,-0.3 0.914 113.3 30.0 -60.7 -45.1 42.5 1.5 47.0 81 82 A V - 0 0 0 -41,-1.5 -42,-0.1 -42,-0.1 15,-0.1 -0.845 69.5-152.0-114.6 152.5 45.8 0.1 48.3 82 83 A K S S+ 0 0 6 -2,-0.3 -57,-3.0 -41,-0.1 2,-0.4 0.647 72.9 71.4 -97.8 -20.0 46.7 -0.4 52.0 83 84 A C S S- 0 0 14 -59,-0.2 -59,-0.1 -62,-0.1 -65,-0.1 -0.828 89.1-106.1-105.4 141.0 50.5 -0.0 51.9 84 85 A R - 0 0 29 -61,-0.5 3,-0.1 -2,-0.4 -41,-0.1 -0.437 35.5-139.1 -66.5 108.2 52.4 3.2 51.4 85 86 A P > - 0 0 2 0, 0.0 3,-1.9 0, 0.0 4,-0.2 -0.369 41.7 -73.5 -67.1 145.2 53.8 3.2 47.9 86 87 A P G > S- 0 0 64 0, 0.0 3,-1.6 0, 0.0 -65,-0.0 -0.082 114.2 -6.1 -44.2 123.9 57.4 4.6 47.5 87 88 A Q G 3 S- 0 0 172 1,-0.3 -44,-0.0 -3,-0.1 -3,-0.0 0.749 121.9 -72.1 58.2 29.4 57.6 8.4 47.8 88 89 A N G < S+ 0 0 73 -3,-1.9 -1,-0.3 1,-0.2 -47,-0.1 0.667 84.8 160.4 62.7 22.1 53.8 8.6 48.0 89 90 A R < - 0 0 73 -3,-1.6 -1,-0.2 -4,-0.2 3,-0.1 -0.290 49.3 -93.6 -68.9 158.7 53.4 7.8 44.3 90 91 A A - 0 0 42 1,-0.1 2,-0.1 -49,-0.0 -1,-0.1 -0.363 51.2 -94.3 -69.3 154.1 50.0 6.6 43.1 91 92 A P - 0 0 13 0, 0.0 -1,-0.1 0, 0.0 -7,-0.0 -0.459 37.4-115.5 -73.0 143.8 49.6 2.8 43.1 92 93 A L > - 0 0 73 -2,-0.1 4,-2.4 1,-0.1 3,-0.3 -0.494 27.1-111.7 -74.5 147.8 50.2 1.0 39.8 93 94 A P H > S+ 0 0 110 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.780 117.7 64.7 -49.5 -25.9 47.2 -0.8 38.2 94 95 A D H > S+ 0 0 80 2,-0.2 4,-1.7 1,-0.2 3,-0.4 0.982 109.7 31.0 -57.1 -69.6 49.1 -4.0 39.1 95 96 A E H > S+ 0 0 0 -3,-0.3 4,-2.3 1,-0.2 5,-0.3 0.734 115.5 62.9 -66.6 -25.9 49.0 -3.5 42.9 96 97 A A H X S+ 0 0 18 -4,-2.4 4,-1.4 2,-0.2 -1,-0.2 0.873 105.4 45.0 -69.8 -37.5 45.6 -1.8 42.6 97 98 A K H X S+ 0 0 125 -4,-1.8 4,-1.9 -3,-0.4 -2,-0.2 0.941 116.2 45.6 -71.2 -47.6 44.0 -4.9 41.2 98 99 A I H X S+ 0 0 58 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.940 115.9 43.1 -60.7 -55.0 45.6 -7.3 43.7 99 100 A C H X>S+ 0 0 12 -4,-2.3 4,-2.6 1,-0.2 5,-0.9 0.888 115.4 50.0 -61.4 -40.3 44.9 -5.3 46.8 100 101 A T H <>S+ 0 0 3 -4,-1.4 5,-2.5 -5,-0.3 6,-0.2 0.833 112.3 46.4 -69.3 -34.1 41.4 -4.4 45.8 101 102 A D H <5S+ 0 0 73 -4,-1.9 -1,-0.2 3,-0.2 -2,-0.2 0.825 117.3 45.0 -75.9 -34.2 40.5 -8.0 45.0 102 103 A K H <5S- 0 0 89 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.835 137.3 -5.1 -79.1 -35.0 42.0 -9.2 48.2 103 104 A W T X5S+ 0 0 16 -4,-2.6 4,-2.4 -5,-0.2 3,-0.3 0.735 118.1 61.1-128.3 -54.6 40.5 -6.6 50.6 104 105 A L H > S+ 0 0 97 -3,-0.3 4,-2.8 -6,-0.2 -1,-0.2 0.839 110.5 55.1 -73.3 -33.1 35.2 -7.8 50.9 107 108 A Q H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 5,-0.3 0.932 111.0 45.3 -64.2 -43.8 35.3 -4.7 53.0 108 109 A I H X S+ 0 0 12 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.907 113.3 50.9 -64.9 -41.5 32.5 -3.2 50.8 109 110 A E H < S+ 0 0 155 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.923 114.2 42.8 -62.0 -47.6 30.6 -6.5 51.0 110 111 A L H < S+ 0 0 87 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.842 120.1 40.6 -68.9 -38.9 30.8 -6.7 54.8 111 112 A I H < S- 0 0 0 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.779 85.9-158.2 -82.3 -29.2 30.1 -3.1 55.5 112 113 A A < - 0 0 64 -4,-2.3 -3,-0.1 -5,-0.3 -4,-0.1 0.918 15.5-165.8 50.1 55.6 27.3 -2.7 52.9 113 114 A P - 0 0 9 0, 0.0 -79,-0.2 0, 0.0 -78,-0.2 -0.276 20.9-148.9 -68.6 156.6 27.6 1.1 52.6 114 115 A Q S S+ 0 0 64 -80,-2.5 34,-1.6 1,-0.3 2,-0.4 0.655 85.5 35.0 -97.9 -19.5 24.7 3.0 50.8 115 116 A I E -bd 35 148A 0 -81,-2.3 -79,-2.2 32,-0.2 2,-0.5 -0.999 66.5-162.5-137.7 130.3 27.0 5.7 49.6 116 117 A I E -bd 36 149A 0 32,-3.0 34,-2.4 -2,-0.4 -79,-0.2 -0.965 3.6-164.4-114.1 121.0 30.7 5.4 48.5 117 118 A V E -b 37 0A 4 -81,-3.0 -79,-2.1 -2,-0.5 2,-0.4 -0.891 8.7-159.8-107.3 102.1 32.7 8.6 48.3 118 119 A P E -b 38 0A 0 0, 0.0 34,-2.1 0, 0.0 2,-0.7 -0.688 7.0-146.9 -82.2 133.2 35.9 8.0 46.2 119 120 A L B -f 152 0B 6 -81,-4.0 4,-0.4 -2,-0.4 -79,-0.3 -0.891 59.5 -7.1-104.8 107.6 38.7 10.5 46.9 120 121 A G S > S- 0 0 8 32,-2.1 4,-2.2 -2,-0.7 5,-0.2 -0.214 91.3 -67.4 99.7 168.5 40.8 11.3 43.8 121 122 A A H > S+ 0 0 34 2,-0.2 4,-2.4 1,-0.2 -1,-0.1 0.848 125.7 55.7 -63.8 -40.0 41.2 10.0 40.3 122 123 A V H > S+ 0 0 33 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.968 113.0 40.2 -59.7 -53.1 42.6 6.5 41.3 123 124 A A H >> S+ 0 0 0 -4,-0.4 4,-1.4 1,-0.2 3,-1.0 0.900 115.4 52.0 -62.1 -44.2 39.6 5.7 43.6 124 125 A A H 3X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.3 5,-0.2 0.883 104.2 57.2 -61.1 -39.9 37.1 7.2 41.1 125 126 A E H 3X>S+ 0 0 51 -4,-2.4 5,-0.6 1,-0.2 4,-0.6 0.697 103.4 56.5 -64.9 -19.9 38.5 5.1 38.3 126 127 A F H <<5S+ 0 0 52 -3,-1.0 -1,-0.2 -4,-0.7 -2,-0.2 0.913 112.7 36.3 -77.7 -46.3 37.8 2.0 40.3 127 128 A F H <5S+ 0 0 4 -4,-1.4 -2,-0.2 1,-0.2 16,-0.1 0.699 118.0 50.4 -80.7 -22.0 34.1 2.6 40.8 128 129 A L H <5S- 0 0 38 -4,-2.0 -1,-0.2 2,-0.2 -3,-0.2 0.682 99.9-134.0 -89.3 -18.5 33.4 4.1 37.4 129 130 A G T <5S+ 0 0 68 -4,-0.6 2,-0.3 -5,-0.2 -3,-0.1 0.798 71.5 64.2 70.9 31.3 35.1 1.2 35.6 130 131 A E S > - 0 0 62 -2,-0.3 4,-1.9 1,-0.1 3,-1.4 -0.924 18.8-150.4-104.1 119.1 39.3 13.0 34.9 134 135 A I H 3> S+ 0 0 26 -2,-0.6 4,-2.0 1,-0.3 -1,-0.1 0.866 96.6 59.8 -55.9 -37.2 38.6 13.8 38.6 135 136 A T H 34 S+ 0 0 78 1,-0.2 -1,-0.3 2,-0.2 18,-0.1 0.737 110.9 42.0 -64.7 -23.2 37.7 17.4 37.7 136 137 A K H <4 S+ 0 0 153 -3,-1.4 -2,-0.2 1,-0.1 -1,-0.2 0.820 118.5 39.3 -93.9 -36.1 34.9 16.1 35.5 137 138 A V H >< S+ 0 0 6 -4,-1.9 3,-1.6 2,-0.1 -2,-0.2 0.729 89.0 114.1 -85.2 -24.1 33.3 13.3 37.6 138 139 A R T 3< S+ 0 0 38 -4,-2.0 14,-0.2 -5,-0.3 3,-0.1 -0.171 81.7 12.8 -49.4 127.8 33.7 15.3 40.8 139 140 A G T 3 S+ 0 0 19 12,-2.8 2,-0.3 1,-0.2 -1,-0.2 0.585 101.3 110.0 79.9 11.5 30.4 16.2 42.4 140 141 A K < - 0 0 95 -3,-1.6 2,-0.3 11,-0.2 -1,-0.2 -0.921 67.4-115.2-121.8 145.7 28.2 14.0 40.3 141 142 A W + 0 0 81 -2,-0.3 9,-0.2 9,-0.2 2,-0.2 -0.630 37.9 167.3 -83.9 133.1 26.2 10.9 41.3 142 143 A Y E -E 149 0A 75 7,-3.0 7,-0.9 -2,-0.3 2,-0.3 -0.514 25.2-123.5-124.7-165.8 27.1 7.5 39.8 143 144 A E E +E 148 0A 137 5,-0.2 2,-0.3 -2,-0.2 5,-0.2 -0.980 19.7 176.6-152.1 135.4 26.3 3.9 40.5 144 145 A W E > S-E 147 0A 34 3,-2.5 3,-2.2 -2,-0.3 -16,-0.1 -0.943 77.8 -24.6-144.0 114.0 28.4 0.8 41.2 145 146 A H T 3 S- 0 0 146 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.841 127.2 -48.3 49.1 42.1 26.7 -2.6 42.0 146 147 A G T 3 S+ 0 0 70 1,-0.3 2,-0.4 0, 0.0 -1,-0.3 0.385 116.3 113.1 85.8 -6.5 23.6 -0.9 43.3 147 148 A I E < S- E 0 144A 20 -3,-2.2 -3,-2.5 -32,-0.0 2,-0.5 -0.817 70.4-113.3-105.5 144.7 25.4 1.6 45.5 148 149 A K E -dE 115 143A 109 -34,-1.6 -32,-3.0 -2,-0.4 2,-0.4 -0.605 29.8-162.0 -76.7 119.3 25.6 5.3 45.0 149 150 A V E -dE 116 142A 0 -7,-0.9 -7,-3.0 -2,-0.5 -32,-0.2 -0.829 10.6-178.3-103.6 140.4 29.1 6.7 44.2 150 151 A F - 0 0 1 -34,-2.4 -9,-0.2 -2,-0.4 -12,-0.1 -0.696 15.7-151.1-140.7 86.8 30.0 10.3 44.6 151 152 A P + 0 0 0 0, 0.0 -12,-2.8 0, 0.0 2,-0.3 -0.177 19.5 176.1 -60.3 144.5 33.5 11.3 43.5 152 153 A X B -f 119 0B 8 -34,-2.1 -32,-2.1 -14,-0.2 -28,-0.1 -0.982 37.2 -85.5-146.9 156.6 35.3 14.2 45.2 153 154 A F - 0 0 11 -2,-0.3 -14,-0.0 -34,-0.2 5,-0.0 -0.323 49.3-111.7 -62.1 143.8 38.7 15.9 45.1 154 155 A H >> - 0 0 31 1,-0.1 3,-1.3 -35,-0.1 4,-1.0 -0.561 22.3-120.8 -77.7 140.0 41.3 14.3 47.4 155 156 A P H 3> S+ 0 0 2 0, 0.0 4,-1.2 0, 0.0 3,-0.3 0.812 113.5 59.7 -49.6 -35.7 42.2 16.5 50.4 156 157 A A H 3> S+ 0 0 26 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.845 99.2 57.1 -64.0 -33.5 45.9 16.4 49.3 157 158 A Y H <> S+ 0 0 58 -3,-1.3 4,-0.8 1,-0.2 -1,-0.2 0.841 103.9 53.5 -65.7 -32.6 44.8 18.0 46.0 158 159 A L H < S+ 0 0 3 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.804 106.0 52.0 -72.3 -31.1 43.3 20.9 48.1 159 160 A L H < S+ 0 0 60 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.824 110.3 49.1 -72.6 -32.4 46.7 21.4 49.8 160 161 A R H < S+ 0 0 165 -4,-1.5 -2,-0.2 1,-0.3 -1,-0.2 0.661 123.7 31.8 -78.2 -19.9 48.4 21.6 46.4 161 162 A N S < S+ 0 0 64 -4,-0.8 9,-0.3 -5,-0.1 -1,-0.3 -0.702 73.8 168.4-139.3 75.9 45.7 24.1 45.2 162 163 A P + 0 0 75 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.436 22.0 144.4 -72.4 -4.0 44.9 26.0 48.4 163 164 A S - 0 0 60 1,-0.1 7,-0.5 7,-0.0 8,-0.3 0.014 37.5-163.7 -41.7 134.8 42.9 28.8 46.7 164 165 A R + 0 0 172 6,-0.1 -1,-0.1 5,-0.1 3,-0.1 0.329 50.5 124.1-103.5 3.5 39.9 30.2 48.6 165 166 A A S > S- 0 0 48 1,-0.1 3,-1.8 2,-0.1 6,-0.4 -0.151 75.9 -83.2 -62.3 153.9 38.5 31.8 45.4 166 167 A P T 3 S+ 0 0 121 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.358 117.2 19.2 -62.7 139.2 34.9 31.0 44.2 167 168 A G T 3 S+ 0 0 47 1,-0.3 -2,-0.1 -3,-0.1 -3,-0.0 0.514 94.3 138.3 80.2 4.2 34.8 27.8 42.1 168 169 A S S <> S- 0 0 10 -3,-1.8 4,-2.8 1,-0.1 3,-0.5 -0.452 72.6-101.8 -79.2 155.0 38.1 26.7 43.6 169 170 A P H > S+ 0 0 23 0, 0.0 4,-2.4 0, 0.0 -16,-0.2 0.844 124.5 51.0 -45.2 -39.2 38.7 23.0 44.6 170 171 A K H > S+ 0 0 37 -7,-0.5 4,-1.9 -9,-0.3 5,-0.1 0.925 112.1 45.7 -66.5 -43.8 38.2 24.0 48.2 171 172 A H H > S+ 0 0 73 -3,-0.5 4,-1.8 -6,-0.4 -1,-0.2 0.915 114.5 47.6 -64.4 -45.6 34.9 25.8 47.5 172 173 A L H X S+ 0 0 40 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.886 109.5 54.3 -62.5 -39.9 33.6 23.0 45.3 173 174 A T H X S+ 0 0 2 -4,-2.4 4,-2.5 -5,-0.3 -1,-0.2 0.883 105.5 52.8 -60.8 -42.8 34.6 20.4 48.0 174 175 A W H X S+ 0 0 113 -4,-1.9 4,-1.4 2,-0.2 -1,-0.2 0.924 111.3 46.5 -59.9 -44.8 32.6 22.3 50.6 175 176 A L H X S+ 0 0 84 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.921 111.4 52.7 -63.5 -44.8 29.6 22.2 48.3 176 177 A D H X S+ 0 0 6 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.875 105.7 51.9 -58.3 -45.8 30.1 18.5 47.6 177 178 A I H X S+ 0 0 8 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.865 108.1 52.4 -63.3 -33.9 30.2 17.4 51.2 178 179 A Q H X S+ 0 0 72 -4,-1.4 4,-2.6 1,-0.2 -1,-0.2 0.907 107.6 52.8 -65.7 -41.2 26.9 19.2 51.8 179 180 A E H X S+ 0 0 57 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.828 108.1 50.2 -62.8 -33.5 25.5 17.3 48.9 180 181 A V H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.909 109.6 52.1 -71.4 -40.6 26.7 14.0 50.6 181 182 A K H X S+ 0 0 57 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.920 109.3 47.5 -62.2 -44.5 25.0 15.1 53.8 182 183 A R H < S+ 0 0 127 -4,-2.6 4,-0.4 1,-0.2 -1,-0.2 0.921 113.4 49.7 -64.1 -38.2 21.7 15.8 52.1 183 184 A A H >< S+ 0 0 7 -4,-1.8 3,-0.6 1,-0.2 -1,-0.2 0.840 109.5 51.3 -66.4 -37.3 21.9 12.4 50.4 184 185 A L H >< S+ 0 0 16 -4,-2.3 3,-1.3 1,-0.2 -1,-0.2 0.907 107.3 52.4 -65.1 -47.0 22.8 10.6 53.6 185 186 A D T 3< S+ 0 0 106 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.515 105.3 57.7 -68.6 -8.1 19.8 12.1 55.5 186 187 A A T < S+ 0 0 66 -3,-0.6 -1,-0.3 -4,-0.4 -2,-0.2 0.023 81.7 119.6-111.5 25.5 17.5 10.9 52.7 187 188 A L < 0 0 35 -3,-1.3 -3,-0.0 1,-0.1 -153,-0.0 -0.767 360.0 360.0 -99.3 137.4 18.4 7.2 53.0 188 189 A P 0 0 143 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.266 360.0 360.0 -68.2 360.0 15.9 4.4 53.8