==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-JUN-04 1TIY . COMPND 2 MOLECULE: GUANINE DEAMINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR A.P.KUZIN,S.VOROBIEV,W.EDSTROM,F.FOROUHAR,T.ACTON,R.SHASTRY, . 307 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20188.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 205 66.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 8.5 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 . 2 0.7 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 . 16 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 103 33.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.6 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 1 1 0 4 0 2 0 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 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 0 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 1 A X 0 0 158 0, 0.0 2,-0.2 0, 0.0 33,-0.0 0.000 360.0 360.0 360.0 -95.3 45.0 33.6 43.1 2 2 A N >> - 0 0 60 1,-0.1 4,-1.6 283,-0.0 3,-0.9 -0.625 360.0-102.0 -98.7 158.1 47.4 30.8 42.2 3 3 A H H 3> S+ 0 0 11 281,-0.5 4,-2.5 1,-0.3 5,-0.2 0.769 119.5 59.2 -45.9 -34.3 49.4 30.4 39.0 4 4 A E H 3> S+ 0 0 87 2,-0.2 4,-2.8 1,-0.2 -1,-0.3 0.929 103.4 50.0 -63.4 -47.3 47.0 27.7 37.8 5 5 A T H <> S+ 0 0 54 -3,-0.9 4,-2.1 2,-0.2 -2,-0.2 0.900 113.8 44.8 -60.2 -43.2 44.0 30.1 37.9 6 6 A F H X S+ 0 0 20 -4,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.933 115.2 46.4 -67.7 -46.0 45.9 32.8 36.0 7 7 A L H X S+ 0 0 32 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.886 110.9 54.7 -62.8 -35.1 47.2 30.3 33.4 8 8 A K H X S+ 0 0 151 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.918 105.0 53.2 -63.2 -40.6 43.7 29.0 33.3 9 9 A R H X S+ 0 0 77 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.811 105.9 54.2 -62.9 -31.2 42.4 32.5 32.5 10 10 A A H X S+ 0 0 0 -4,-1.5 4,-1.8 2,-0.2 69,-0.3 0.878 109.1 46.0 -72.1 -40.0 44.9 32.7 29.6 11 11 A V H X S+ 0 0 60 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.843 111.1 53.4 -70.4 -35.1 43.7 29.4 28.0 12 12 A T H X S+ 0 0 56 -4,-2.1 4,-2.6 1,-0.2 5,-0.3 0.918 107.5 52.1 -65.2 -41.5 40.1 30.6 28.5 13 13 A L H X S+ 0 0 4 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.911 106.4 52.7 -59.2 -44.7 41.1 33.8 26.7 14 14 A A H X S+ 0 0 6 -4,-1.8 4,-1.9 1,-0.2 12,-0.3 0.919 111.2 47.3 -58.7 -43.9 42.5 31.9 23.8 15 15 A C H X S+ 0 0 67 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.921 112.9 46.4 -64.8 -46.1 39.2 30.0 23.4 16 16 A E H X S+ 0 0 94 -4,-2.6 4,-1.1 1,-0.2 6,-0.2 0.829 110.6 56.4 -64.4 -32.2 37.0 33.1 23.6 17 17 A G H <>S+ 0 0 1 -4,-2.4 5,-2.0 -5,-0.3 6,-1.1 0.898 110.5 43.1 -65.6 -42.4 39.4 34.6 21.1 18 18 A V H ><5S+ 0 0 64 -4,-1.9 3,-2.9 1,-0.2 -2,-0.2 0.990 113.6 48.3 -66.3 -62.3 38.8 31.8 18.7 19 19 A N H 3<5S+ 0 0 143 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.668 111.6 51.9 -54.1 -19.9 35.0 31.5 19.0 20 20 A A T 3<5S- 0 0 71 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.396 109.6-125.0 -97.1 -0.4 34.7 35.2 18.6 21 21 A G T < 5S+ 0 0 56 -3,-2.9 -3,-0.2 2,-0.2 -2,-0.1 0.744 74.1 124.5 64.7 25.7 36.7 35.2 15.5 22 22 A I S S-A 35 0A 57 3,-2.2 3,-1.3 -2,-0.4 42,-0.1 -0.983 79.1 -4.5-139.5 124.1 51.6 42.5 39.0 33 33 A D T 3 S- 0 0 102 40,-0.5 -1,-0.1 -2,-0.4 3,-0.1 0.931 131.4 -56.5 59.5 43.5 50.9 42.5 42.7 34 34 A G T 3 S+ 0 0 48 1,-0.2 2,-0.4 251,-0.1 -1,-0.3 0.654 113.6 121.0 62.6 15.3 48.2 39.8 42.2 35 35 A A E < -A 32 0A 43 -3,-1.3 -3,-2.2 0, 0.0 2,-1.4 -0.925 69.6-124.7-113.9 135.4 46.4 42.1 39.7 36 36 A I E +A 31 0A 68 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.662 32.5 177.3 -78.2 98.8 45.8 41.2 36.1 37 37 A I E + 0 0 34 -7,-1.8 2,-0.3 -2,-1.4 -1,-0.2 0.606 62.8 6.4 -77.9 -15.5 47.4 44.2 34.5 38 38 A A E -A 30 0A 9 -8,-1.2 -8,-2.0 -3,-0.1 2,-0.4 -0.981 52.7-158.9-167.5 153.5 46.7 43.0 30.9 39 39 A E E -A 29 0A 59 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.996 18.9-172.5-138.2 128.3 45.0 40.4 28.8 40 40 A G E -A 28 0A 1 -12,-2.4 -12,-2.4 -2,-0.4 2,-0.3 -0.942 8.6-173.5-128.3 150.4 46.1 39.6 25.3 41 41 A Q E -A 27 0A 49 -2,-0.4 2,-0.5 -14,-0.2 -14,-0.2 -0.968 40.2 -97.5-135.7 149.7 44.7 37.5 22.5 42 42 A N + 0 0 18 -16,-2.1 11,-0.2 -18,-0.5 -16,-0.2 -0.568 49.1 161.8 -69.4 120.9 46.2 36.6 19.1 43 43 A N > + 0 0 35 9,-2.0 4,-0.9 -2,-0.5 6,-0.3 -0.107 20.4 133.2-134.0 36.3 44.5 39.1 16.7 44 44 A V T >4>S+ 0 0 36 8,-0.4 5,-1.9 2,-0.2 3,-0.6 0.940 78.6 34.7 -53.0 -58.4 46.8 39.0 13.7 45 45 A T G >45S+ 0 0 105 1,-0.2 3,-1.4 2,-0.2 -1,-0.2 0.940 114.7 54.3 -65.9 -51.0 44.2 38.6 11.0 46 46 A T G 345S+ 0 0 87 -24,-0.6 -1,-0.2 1,-0.3 -2,-0.2 0.601 122.6 29.5 -63.5 -10.8 41.4 40.7 12.6 47 47 A S G <<5S- 0 0 49 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.123 102.8-119.1-137.1 23.3 43.8 43.7 12.9 48 48 A N T < 5S+ 0 0 154 -3,-1.4 -3,-0.2 1,-0.1 -4,-0.1 0.812 71.9 126.5 39.1 51.0 46.2 43.3 10.0 49 49 A D > < - 0 0 51 -5,-1.9 3,-2.5 -6,-0.3 -6,-0.2 -0.836 43.7-168.1-139.4 97.8 49.2 43.0 12.3 50 50 A P T 3 S+ 0 0 98 0, 0.0 -6,-0.1 0, 0.0 -1,-0.1 0.687 92.4 56.5 -58.9 -17.4 51.6 40.0 12.0 51 51 A T T 3 S+ 0 0 61 1,-0.1 2,-1.8 -7,-0.1 5,-0.1 0.408 76.4 106.7 -93.2 1.6 53.2 40.9 15.3 52 52 A A < + 0 0 1 -3,-2.5 -9,-2.0 4,-0.1 -8,-0.4 -0.287 43.9 150.1 -80.8 55.2 49.9 40.8 17.1 53 53 A H > - 0 0 53 -2,-1.8 4,-2.8 -11,-0.2 5,-0.2 -0.450 61.5-102.2 -80.5 161.2 50.5 37.6 19.0 54 54 A A H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -26,-0.2 0.909 120.5 43.6 -49.0 -52.7 48.9 37.0 22.4 55 55 A E H > S+ 0 0 8 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.903 114.1 49.4 -65.3 -40.2 52.1 37.8 24.5 56 56 A V H > S+ 0 0 21 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.891 111.9 49.9 -65.3 -38.1 53.1 40.8 22.4 57 57 A T H X S+ 0 0 20 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.885 111.5 47.9 -67.8 -37.3 49.5 42.2 22.7 58 58 A A H X S+ 0 0 0 -4,-2.1 4,-3.2 -5,-0.2 -2,-0.2 0.876 110.6 51.7 -70.1 -38.5 49.6 41.7 26.5 59 59 A I H X S+ 0 0 21 -4,-2.3 4,-3.0 2,-0.2 5,-0.3 0.954 108.9 49.8 -62.7 -51.2 53.0 43.4 26.8 60 60 A R H X S+ 0 0 167 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.914 116.3 42.8 -53.1 -47.2 51.9 46.4 24.9 61 61 A K H X S+ 0 0 111 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.923 112.4 52.8 -66.5 -46.3 48.8 46.8 27.0 62 62 A A H X S+ 0 0 0 -4,-3.2 4,-2.1 1,-0.2 -2,-0.2 0.922 112.1 45.2 -56.5 -47.5 50.6 46.0 30.3 63 63 A C H X>S+ 0 0 18 -4,-3.0 5,-2.1 1,-0.2 4,-1.0 0.890 109.7 54.9 -65.1 -38.8 53.2 48.7 29.6 64 64 A K H <5S+ 0 0 175 -4,-1.9 3,-0.4 -5,-0.3 -1,-0.2 0.914 109.1 49.0 -59.4 -43.9 50.6 51.2 28.5 65 65 A V H <5S+ 0 0 95 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.917 115.7 42.1 -61.5 -45.7 48.8 50.7 31.8 66 66 A L H <5S- 0 0 56 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.543 102.7-131.9 -79.9 -6.6 52.1 51.2 33.8 67 67 A G T <5S+ 0 0 71 -4,-1.0 2,-0.3 -3,-0.4 -3,-0.2 0.973 74.8 103.1 51.7 50.8 53.1 54.1 31.6 68 68 A A S + 0 0 2 22,-2.8 3,-1.2 -2,-0.3 25,-0.5 -0.400 33.9 173.2-103.5 56.6 57.6 44.8 33.1 72 72 A D T 3 + 0 0 85 -2,-0.5 3,-0.1 1,-0.3 -2,-0.1 -0.445 67.4 9.6 -71.5 133.5 59.4 44.8 36.5 73 73 A D T 3 S+ 0 0 45 1,-0.3 -40,-0.5 21,-0.2 2,-0.3 0.806 104.8 124.3 68.6 34.4 57.8 42.7 39.2 74 74 A C < - 0 0 0 -3,-1.2 22,-2.1 20,-0.2 23,-1.0 -0.897 49.6-149.7-123.5 153.3 55.4 41.2 36.7 75 75 A I E -Bc 31 97A 8 -44,-2.2 -44,-2.5 -2,-0.3 2,-0.5 -0.973 10.4-147.4-124.6 136.4 54.7 37.6 35.6 76 76 A L E -Bc 30 98A 2 21,-2.5 23,-2.9 -2,-0.4 2,-0.5 -0.898 9.7-167.9-106.7 128.3 53.5 36.6 32.2 77 77 A Y E -Bc 29 99A 3 -48,-3.8 -48,-2.8 -2,-0.5 2,-0.4 -0.960 7.1-176.0-116.1 125.1 51.2 33.7 31.6 78 78 A T E -Bc 28 100A 1 21,-2.8 23,-1.4 -2,-0.5 -50,-0.2 -0.936 33.3-132.9-120.8 146.4 50.7 32.3 28.1 79 79 A S E S+ 0 0 10 -52,-2.6 23,-2.3 -2,-0.4 2,-0.3 0.668 95.5 18.0 -65.1 -17.0 48.3 29.6 26.9 80 80 A C E S- c 0 102A 9 -53,-0.4 23,-0.2 21,-0.2 -1,-0.1 -0.987 100.8 -73.6-154.2 158.4 51.2 28.2 25.1 81 81 A E - 0 0 50 21,-1.9 26,-0.1 -2,-0.3 -2,-0.1 -0.317 64.0 -99.9 -58.1 124.0 55.0 28.3 24.9 82 82 A P - 0 0 9 0, 0.0 -1,-0.1 0, 0.0 22,-0.1 0.046 28.0-120.7 -48.9 149.3 56.3 31.6 23.3 83 83 A a > - 0 0 16 1,-0.1 4,-1.9 34,-0.0 5,-0.2 -0.384 33.2-103.3 -83.4 161.2 57.4 32.1 19.7 84 84 A P H > S+ 0 0 15 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.915 125.0 46.6 -55.8 -42.6 60.9 33.3 19.0 85 85 A X H > S+ 0 0 77 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.969 114.3 46.1 -61.3 -52.3 59.6 36.8 18.2 86 86 A a H > S+ 0 0 0 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.730 111.5 55.6 -63.3 -22.6 57.4 36.8 21.3 87 87 A L H X S+ 0 0 59 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.910 104.2 50.3 -76.8 -46.0 60.5 35.5 23.2 88 88 A G H X S+ 0 0 31 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.896 109.8 53.9 -57.9 -38.2 62.7 38.4 22.1 89 89 A A H X S+ 0 0 25 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.875 104.0 54.4 -63.7 -37.8 59.8 40.6 23.3 90 90 A I H X S+ 0 0 8 -4,-1.2 4,-3.4 1,-0.2 -2,-0.2 0.958 110.4 46.6 -60.2 -50.1 59.9 38.9 26.7 91 91 A Y H < S+ 0 0 183 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.740 113.1 47.4 -67.3 -24.2 63.6 39.7 27.1 92 92 A W H < S+ 0 0 178 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.836 118.0 43.3 -82.6 -32.2 63.2 43.3 26.0 93 93 A A H < S- 0 0 6 -4,-2.3 -22,-2.8 -5,-0.2 -2,-0.2 0.861 95.9-150.1 -77.6 -40.9 60.3 43.7 28.3 94 94 A R < - 0 0 125 -4,-3.4 -20,-0.2 -5,-0.2 -21,-0.2 0.935 19.0-179.1 72.6 52.9 61.8 41.9 31.3 95 95 A P - 0 0 21 0, 0.0 -20,-0.2 0, 0.0 -23,-0.2 -0.459 36.5-121.8 -74.3 158.6 59.0 40.3 33.3 96 96 A K S S- 0 0 68 -22,-2.1 2,-0.3 -25,-0.5 -21,-0.2 0.749 86.0 -1.7 -76.0 -16.8 60.5 38.4 36.3 97 97 A A E -c 75 0A 16 -23,-1.0 -21,-2.5 2,-0.0 2,-0.3 -0.994 57.1-149.6-164.5 162.4 58.9 35.2 35.2 98 98 A V E -c 76 0A 58 -2,-0.3 2,-0.3 -23,-0.2 -21,-0.2 -0.993 8.3-166.4-144.8 134.2 56.8 33.5 32.6 99 99 A F E -c 77 0A 32 -23,-2.9 -21,-2.8 -2,-0.3 2,-0.3 -0.900 8.6-175.3-117.9 146.2 54.4 30.5 32.8 100 100 A Y E -c 78 0A 106 -2,-0.3 -21,-0.2 -23,-0.2 -19,-0.1 -0.998 16.9-164.3-145.8 148.4 53.0 28.5 29.9 101 101 A A E S+ 0 0 47 -23,-1.4 -21,-0.2 -2,-0.3 -1,-0.2 0.888 72.6 44.1 -91.4 -84.0 50.5 25.6 29.4 102 102 A A E S-c 80 0A 36 -23,-2.3 -21,-1.9 1,-0.1 2,-0.1 -0.310 80.8-128.0 -65.0 149.5 50.6 24.0 26.0 103 103 A E >> - 0 0 103 -23,-0.2 4,-1.2 1,-0.1 3,-0.6 -0.466 24.4-104.9 -93.3 171.0 54.1 23.2 24.6 104 104 A H H 3> S+ 0 0 69 1,-0.2 4,-1.4 2,-0.2 10,-0.2 0.728 120.2 60.3 -70.4 -19.9 55.3 24.2 21.1 105 105 A T H 3> S+ 0 0 52 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.835 101.6 54.6 -74.3 -29.9 54.9 20.7 19.9 106 106 A D H <> S+ 0 0 66 -3,-0.6 4,-0.9 1,-0.2 -2,-0.2 0.874 107.7 49.0 -67.1 -39.1 51.2 21.0 20.7 107 107 A A H <>S+ 0 0 13 -4,-1.2 5,-3.4 1,-0.2 4,-0.5 0.822 109.0 54.1 -68.9 -32.9 51.0 24.1 18.5 108 108 A A H ><5S+ 0 0 36 -4,-1.4 3,-1.3 1,-0.2 5,-0.3 0.918 104.9 51.7 -68.5 -43.7 52.8 22.2 15.8 109 109 A E H 3<5S+ 0 0 150 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.764 109.7 53.1 -63.6 -23.2 50.3 19.4 15.8 110 110 A A T 3<5S- 0 0 64 -4,-0.9 -1,-0.3 -5,-0.1 -2,-0.2 0.563 128.4 -96.3 -88.3 -11.0 47.6 22.1 15.5 111 111 A G T < 5S+ 0 0 65 -3,-1.3 2,-0.3 -4,-0.5 -3,-0.2 0.529 95.9 108.2 107.7 10.1 49.2 23.7 12.4 112 112 A F < + 0 0 92 -5,-3.4 2,-0.5 -6,-0.1 -3,-0.1 -0.542 40.6 168.3-118.7 65.2 51.2 26.5 14.2 113 113 A D + 0 0 72 -2,-0.3 3,-0.2 -5,-0.3 -8,-0.1 -0.675 14.7 175.4 -83.0 122.9 54.8 25.4 13.9 114 114 A D >> + 0 0 23 -2,-0.5 3,-1.0 -10,-0.2 4,-0.8 0.308 54.0 102.2-106.2 7.3 57.3 28.1 14.8 115 115 A S H >> + 0 0 25 1,-0.3 4,-2.2 2,-0.2 3,-0.7 0.851 67.8 65.9 -59.2 -40.9 60.3 25.8 14.4 116 116 A F H 3> S+ 0 0 120 1,-0.3 4,-1.8 2,-0.2 -1,-0.3 0.815 100.8 53.4 -55.4 -28.2 61.4 27.1 11.0 117 117 A I H <> S+ 0 0 59 -3,-1.0 4,-2.5 2,-0.2 -1,-0.3 0.838 104.2 52.4 -76.9 -33.9 62.1 30.4 12.8 118 118 A Y H < S+ 0 0 30 -4,-1.8 3,-0.8 1,-0.2 -2,-0.2 0.864 107.1 55.3 -71.4 -39.7 66.7 30.6 10.7 121 121 A I H 3< S+ 0 0 109 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.768 107.3 55.5 -65.2 -21.2 67.6 32.8 13.7 122 122 A D H 3< S+ 0 0 145 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 0.689 95.5 81.2 -83.2 -22.1 70.4 30.2 14.2 123 123 A K S << S- 0 0 91 -3,-0.8 5,-0.1 -4,-0.6 -3,-0.0 -0.262 88.2-109.4 -79.4 172.1 71.8 30.6 10.6 124 124 A P - 0 0 60 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.995 46.4-105.8 -65.7 -70.5 74.1 33.5 9.4 125 125 A A S S+ 0 0 23 7,-0.0 7,-0.9 9,-0.0 3,-0.2 -0.176 109.7 57.2 172.1 -61.7 72.1 35.7 7.1 126 126 A E S S+ 0 0 129 1,-0.3 2,-0.8 5,-0.2 7,-0.0 0.726 104.7 63.0 -64.3 -21.0 73.1 35.2 3.5 127 127 A E S S+ 0 0 121 -7,-0.1 2,-0.3 4,-0.1 -1,-0.3 -0.646 86.6 108.7-104.3 70.7 72.2 31.6 4.2 128 128 A R S S- 0 0 61 -2,-0.8 4,-0.0 -3,-0.2 -8,-0.0 -0.995 78.5-117.0-147.6 151.2 68.5 32.1 5.0 129 129 A T S S+ 0 0 117 -2,-0.3 -1,-0.2 1,-0.1 -3,-0.0 0.952 116.2 44.5 -46.8 -57.8 65.1 31.4 3.4 130 130 A I S S- 0 0 118 -3,-0.1 2,-0.2 1,-0.0 -1,-0.1 -0.813 103.9-124.4 -89.1 120.3 64.6 35.2 3.3 131 131 A P - 0 0 66 0, 0.0 2,-0.5 0, 0.0 -5,-0.2 -0.500 21.2-158.4 -72.5 133.4 67.8 36.6 2.0 132 132 A F - 0 0 101 -7,-0.9 2,-0.4 -2,-0.2 -4,-0.1 -0.946 6.8-164.6-110.3 129.3 69.5 39.2 4.1 133 133 A Y - 0 0 193 -2,-0.5 2,-0.7 -7,-0.0 0, 0.0 -0.948 9.3-150.8-117.5 134.7 71.9 41.5 2.4 134 134 A Q - 0 0 157 -2,-0.4 2,-0.3 2,-0.0 -2,-0.0 -0.891 16.4-162.5-107.9 105.2 74.5 43.7 4.2 135 135 A V - 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0 0 39 21,-1.2 2,-0.1 -2,-0.3 22,-0.1 -0.272 66.2-100.3 -53.4 136.8 74.6 42.9 54.7 240 82 B P - 0 0 7 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 -0.298 27.1-115.3 -68.0 144.1 73.4 39.2 54.9 241 83 B b > - 0 0 17 1,-0.1 4,-1.9 -3,-0.1 3,-0.2 -0.214 38.1-103.7 -64.8 162.9 71.3 37.5 52.3 242 84 B P H > S+ 0 0 9 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.912 124.3 50.3 -61.1 -41.3 67.8 36.4 53.6 243 85 B X H > S+ 0 0 90 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.813 110.4 53.3 -65.3 -25.8 68.8 32.8 54.0 244 86 B b H > S+ 0 0 1 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.858 105.6 51.5 -75.0 -37.6 71.8 34.1 55.9 245 87 B L H X S+ 0 0 56 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.921 110.8 49.3 -64.8 -42.2 69.5 36.1 58.2 246 88 B G H X S+ 0 0 28 -4,-2.5 4,-1.2 1,-0.2 -2,-0.2 0.928 110.7 49.7 -61.7 -42.6 67.6 32.9 58.8 247 89 B A H X S+ 0 0 26 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.843 110.8 51.1 -63.8 -34.0 70.8 31.0 59.5 248 90 B I H X S+ 0 0 14 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.908 107.7 51.1 -70.5 -42.6 71.8 33.8 61.9 249 91 B Y H < S+ 0 0 164 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.725 115.8 42.5 -69.0 -18.9 68.5 33.6 63.7 250 92 B W H < S+ 0 0 188 -4,-1.2 -2,-0.2 -5,-0.2 -1,-0.2 0.781 115.9 47.4 -92.7 -34.3 69.0 29.9 64.1 251 93 B A H < S- 0 0 6 -4,-2.3 -22,-3.4 -5,-0.2 -2,-0.2 0.837 95.7-156.5 -73.2 -34.4 72.7 30.2 65.0 252 94 B R < - 0 0 117 -4,-2.9 -20,-0.2 -24,-0.2 -3,-0.1 0.923 15.5-176.5 60.4 57.9 71.8 32.9 67.4 253 95 B P - 0 0 28 0, 0.0 -23,-0.2 0, 0.0 -20,-0.2 -0.334 38.8-107.9 -80.6 165.5 75.0 35.0 67.9 254 96 B K S S- 0 0 122 -22,-2.2 2,-0.3 -25,-0.5 -21,-0.2 0.944 88.5 -35.2 -53.2 -55.5 75.5 37.9 70.3 255 97 B A E -f 233 0B 43 -23,-0.8 -21,-1.9 2,-0.0 2,-0.3 -0.910 55.4-127.1-156.6-179.1 75.5 40.5 67.5 256 98 B V E -f 234 0B 55 -2,-0.3 2,-0.3 -23,-0.2 -21,-0.2 -0.984 12.5-162.8-148.7 134.4 76.5 41.1 63.9 257 99 B F E +f 235 0B 59 -23,-2.8 -21,-2.9 -2,-0.3 2,-0.3 -0.828 11.9 176.2-113.1 153.0 78.5 43.8 62.1 258 100 B Y E -f 236 0B 96 -2,-0.3 -21,-0.2 -23,-0.2 -20,-0.1 -0.989 22.3-165.0-157.0 148.1 78.7 44.7 58.4 259 101 B A E S+ 0 0 53 -23,-0.9 -21,-0.2 -2,-0.3 -1,-0.1 0.864 75.4 52.8 -94.6 -77.8 80.3 47.2 56.1 260 102 B A E S-f 238 0B 28 -23,-1.9 -21,-1.2 1,-0.1 2,-0.2 -0.215 77.5-139.9 -60.1 150.7 78.6 47.1 52.7 261 103 B E > - 0 0 95 -23,-0.2 4,-1.6 -22,-0.1 3,-0.3 -0.601 31.4 -94.8-108.5 170.8 74.8 47.3 52.6 262 104 B H H > S+ 0 0 81 1,-0.2 4,-0.9 -2,-0.2 10,-0.2 0.694 124.9 57.8 -59.0 -17.1 72.2 45.4 50.5 263 105 B T H > S+ 0 0 59 2,-0.2 4,-1.4 1,-0.1 -1,-0.2 0.929 100.9 51.8 -78.1 -48.9 72.4 48.4 48.1 264 106 B D H 4 S+ 0 0 87 -3,-0.3 3,-0.3 1,-0.2 -2,-0.2 0.890 112.1 46.9 -55.1 -43.4 76.1 48.3 47.4 265 107 B A H ><>S+ 0 0 11 -4,-1.6 5,-1.8 1,-0.2 3,-1.0 0.818 105.0 59.9 -69.7 -32.2 75.9 44.6 46.5 266 108 B A H ><5S+ 0 0 35 -4,-0.9 3,-1.1 1,-0.3 -1,-0.2 0.815 97.1 61.8 -65.2 -30.1 72.9 45.1 44.3 267 109 B E T 3<5S+ 0 0 166 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.1 -0.058 101.4 54.2 -86.9 33.8 75.0 47.5 42.2 268 110 B A T < 5S- 0 0 62 -3,-1.0 -1,-0.2 -2,-0.0 -2,-0.2 0.157 129.4 -85.8-147.8 12.1 77.4 44.6 41.3 269 111 B G T < 5S+ 0 0 74 -3,-1.1 2,-0.7 1,-0.1 -3,-0.2 0.420 102.0 111.2 91.9 -0.6 74.9 42.1 40.0 270 112 B F < + 0 0 91 -5,-1.8 2,-0.5 -6,-0.1 -3,-0.1 -0.807 35.7 156.0-112.1 91.3 74.2 40.8 43.5 271 113 B D + 0 0 77 -2,-0.7 3,-0.2 -5,-0.2 4,-0.1 -0.968 15.5 170.5-119.6 122.1 70.6 41.7 44.4 272 114 B D >> + 0 0 24 -2,-0.5 3,-2.1 -10,-0.2 4,-1.4 0.503 54.5 99.8-105.5 -9.0 68.8 39.7 47.0 273 115 B S H 3> S+ 0 0 35 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.781 74.7 63.7 -50.5 -31.1 65.8 42.0 47.4 274 116 B F H 3> S+ 0 0 117 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.867 103.0 49.7 -64.8 -30.4 63.7 39.7 45.1 275 117 B I H <> S+ 0 0 62 -3,-2.1 4,-2.9 2,-0.2 -1,-0.2 0.863 107.2 54.0 -73.8 -36.2 64.1 37.0 47.8 276 118 B Y H X S+ 0 0 87 -4,-1.4 4,-1.7 2,-0.2 -2,-0.2 0.966 111.2 45.7 -59.2 -51.4 63.0 39.5 50.5 277 119 B K H X S+ 0 0 106 -4,-2.5 4,-2.2 1,-0.2 3,-0.3 0.934 113.8 49.3 -55.4 -50.6 59.9 40.2 48.5 278 120 B E H < S+ 0 0 22 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.895 106.3 54.8 -58.2 -45.0 59.3 36.5 47.9 279 121 B I H < S+ 0 0 94 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.860 110.5 47.8 -58.6 -36.1 59.7 35.5 51.5 280 122 B D H < S+ 0 0 148 -4,-1.7 -2,-0.2 -3,-0.3 -1,-0.2 0.932 97.0 81.1 -71.3 -47.1 57.0 38.1 52.4 281 123 B K S < S- 0 0 33 -4,-2.2 5,-0.1 -5,-0.1 2,-0.0 -0.228 92.8-104.6 -58.6 146.4 54.5 37.0 49.8 282 124 B P >> - 0 0 70 0, 0.0 3,-1.3 0, 0.0 4,-1.1 -0.372 40.8 -94.2 -72.3 158.7 52.4 33.9 50.7 283 125 B A T 34 S+ 0 0 42 1,-0.2 3,-0.4 2,-0.2 7,-0.2 0.778 120.2 59.1 -39.2 -46.2 53.4 30.7 48.9 284 126 B E T 34 S+ 0 0 106 1,-0.2 -281,-0.5 5,-0.1 -1,-0.2 0.859 106.6 45.3 -56.4 -43.5 50.8 31.0 46.1 285 127 B E T <4 S+ 0 0 81 -3,-1.3 -1,-0.2 -283,-0.1 -2,-0.2 0.710 85.2 116.9 -76.3 -24.1 52.2 34.4 44.8 286 128 B R S < S- 0 0 61 -4,-1.1 4,-0.2 -3,-0.4 -8,-0.0 -0.053 70.9-125.4 -49.2 143.6 55.9 33.4 44.8 287 129 B T S S+ 0 0 35 2,-0.1 -1,-0.1 -190,-0.0 3,-0.1 0.985 98.6 66.1 -53.4 -64.9 57.8 33.4 41.5 288 130 B I S S- 0 0 119 1,-0.1 2,-0.1 -191,-0.0 -2,-0.0 -0.419 104.7-103.9 -61.8 130.8 59.0 29.8 42.1 289 131 B P - 0 0 62 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.357 40.5-172.9 -60.2 129.6 55.9 27.5 42.0 290 132 B F - 0 0 105 -7,-0.2 2,-0.4 -4,-0.2 -4,-0.0 -0.988 3.4-170.6-128.5 135.7 54.7 26.2 45.4 291 133 B Y - 0 0 150 -2,-0.4 2,-0.7 2,-0.0 -8,-0.0 -0.988 13.5-156.7-131.0 136.8 52.0 23.6 46.0 292 134 B Q - 0 0 150 -2,-0.4 2,-0.2 2,-0.0 -2,-0.0 -0.739 16.7-177.1-112.4 81.5 50.3 22.5 49.2 293 135 B V - 0 0 114 -2,-0.7 2,-0.5 1,-0.0 -2,-0.0 -0.565 23.9-129.9 -75.5 142.8 49.0 19.0 48.7 294 136 B T - 0 0 104 -2,-0.2 2,-0.4 2,-0.0 -1,-0.0 -0.844 21.4-163.3-102.2 130.0 47.1 17.8 51.8 295 137 B L > - 0 0 80 -2,-0.5 3,-1.8 1,-0.0 4,-0.1 -0.891 27.1-130.2-113.7 141.8 47.9 14.4 53.3 296 138 B T T 3 S+ 0 0 139 -2,-0.4 -1,-0.0 1,-0.3 -2,-0.0 0.250 112.5 35.4 -71.6 15.3 45.9 12.3 55.8 297 139 B E T > S+ 0 0 99 2,-0.0 3,-1.3 3,-0.0 -1,-0.3 0.071 72.5 126.2-154.3 25.6 49.0 11.9 57.9 298 140 B H T < S+ 0 0 95 -3,-1.8 4,-0.1 1,-0.2 -2,-0.1 0.402 77.4 53.6 -71.6 5.9 50.8 15.3 57.4 299 141 B L T >> S+ 0 0 85 2,-0.1 4,-2.2 -4,-0.1 3,-0.6 0.518 77.9 94.6-115.1 -11.1 50.9 15.6 61.2 300 142 B S H <> S+ 0 0 57 -3,-1.3 4,-2.8 1,-0.2 5,-0.2 0.784 79.3 58.3 -53.8 -34.8 52.5 12.3 62.1 301 143 B P H 3> S+ 0 0 77 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.929 110.3 42.7 -64.8 -40.7 56.1 13.7 62.2 302 144 B F H <> S+ 0 0 142 -3,-0.6 4,-2.2 2,-0.2 3,-0.2 0.901 112.8 54.5 -68.2 -41.2 55.1 16.2 64.9 303 145 B Q H X S+ 0 0 115 -4,-2.2 4,-0.8 1,-0.3 3,-0.3 0.953 107.4 49.1 -55.8 -52.7 53.1 13.5 66.7 304 146 B A H X S+ 0 0 61 -4,-2.8 4,-1.7 1,-0.2 -1,-0.3 0.758 110.6 53.7 -58.5 -25.8 56.2 11.3 66.8 305 147 B W H < S+ 0 0 185 -4,-1.0 -1,-0.2 -3,-0.2 -2,-0.2 0.868 96.3 63.3 -77.3 -38.0 58.0 14.3 68.1 306 148 B R H < S+ 0 0 228 -4,-2.2 -1,-0.2 -3,-0.3 -2,-0.2 0.711 111.6 41.0 -59.6 -19.5 55.6 14.8 71.0 307 149 B N H < 0 0 133 -4,-0.8 -2,-0.2 -3,-0.2 -1,-0.2 0.926 360.0 360.0 -91.3 -65.1 56.7 11.4 72.3 308 150 B F < 0 0 202 -4,-1.7 -2,-0.2 0, 0.0 -3,-0.1 0.768 360.0 360.0 -32.1 360.0 60.5 11.3 71.8