==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-JAN-11 3QFN . COMPND 2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR Y.L.JIANG,J.W.ZHANG,W.L.YU,W.CHENG,C.C.ZHANG,C.Z.ZHOU,Y.CHEN . 498 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20027.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 365 73.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 7.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 14.5 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.2 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 . 2 0.4 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 . 38 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 130 26.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.2 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 2 1 0 0 4 2 3 1 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 6 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 . 3 0 0 0 5 2 0 0 2 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 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 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 3 A M 0 0 134 0, 0.0 2,-0.5 0, 0.0 206,-0.2 0.000 360.0 360.0 360.0 129.6 -8.7 16.8 27.3 2 4 A T E -A 206 0A 46 204,-2.7 204,-2.4 2,-0.0 2,-0.6 -0.953 360.0-157.4-107.2 128.0 -11.8 15.4 29.2 3 5 A K E -A 205 0A 28 -2,-0.5 27,-1.9 202,-0.2 28,-1.9 -0.913 10.6-168.6-110.9 115.0 -11.6 11.8 30.1 4 6 A I E -Ab 204 31A 0 200,-3.7 200,-2.7 -2,-0.6 2,-0.5 -0.922 10.6-152.7-114.1 124.6 -15.0 10.1 30.7 5 7 A A E -Ab 203 32A 0 26,-2.7 28,-2.6 -2,-0.5 2,-0.5 -0.803 11.6-147.2 -92.6 129.9 -15.5 6.7 32.2 6 8 A L E -Ab 202 33A 0 196,-3.1 196,-1.1 -2,-0.5 2,-0.5 -0.864 15.0-169.6 -98.7 126.2 -18.7 4.9 31.1 7 9 A L E + b 0 34A 0 26,-2.9 28,-2.9 -2,-0.5 29,-0.4 -0.975 15.0 160.2-124.0 119.1 -20.2 2.7 33.8 8 10 A S + 0 0 0 -2,-0.5 175,-2.5 192,-0.3 176,-0.3 -0.970 50.4 9.4-138.8 152.7 -23.0 0.3 33.0 9 11 A D + 0 0 0 27,-2.3 175,-2.1 -2,-0.3 176,-0.7 0.877 58.1 160.2 49.2 48.1 -24.7 -2.9 34.3 10 12 A I > - 0 0 1 27,-0.7 3,-1.7 26,-0.3 28,-0.2 0.900 22.2-169.6 -57.7 -46.6 -23.0 -3.0 37.7 11 13 A H T 3 - 0 0 2 26,-2.6 31,-2.0 1,-0.3 28,-0.3 0.827 66.6 -60.2 54.0 38.2 -25.8 -5.2 38.9 12 14 A G T 3 S+ 0 0 0 26,-2.7 32,-3.3 1,-0.2 2,-1.9 0.582 89.0 152.3 70.8 8.8 -24.8 -5.0 42.6 13 15 A N <> + 0 0 0 -3,-1.7 4,-2.6 29,-0.2 -1,-0.2 -0.524 18.9 179.5 -77.4 88.0 -21.4 -6.5 41.8 14 16 A T H > S+ 0 0 7 -2,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.873 74.1 43.5 -53.6 -54.6 -19.5 -4.8 44.7 15 17 A T H > S+ 0 0 20 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.871 114.9 49.6 -68.6 -38.3 -16.0 -6.2 44.1 16 18 A A H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.921 112.2 48.5 -67.7 -40.8 -16.1 -5.7 40.4 17 19 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.936 109.4 51.8 -64.6 -44.2 -17.3 -2.1 40.8 18 20 A E H X S+ 0 0 68 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.901 109.9 50.3 -58.0 -43.2 -14.6 -1.4 43.4 19 21 A A H X S+ 0 0 24 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.891 111.0 47.7 -63.3 -40.3 -11.9 -2.7 41.0 20 22 A V H X S+ 0 0 0 -4,-1.8 4,-3.3 2,-0.2 -2,-0.2 0.902 110.9 51.2 -66.9 -43.9 -13.1 -0.6 38.0 21 23 A L H X S+ 0 0 7 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.894 110.4 49.4 -64.3 -37.4 -13.3 2.6 40.1 22 24 A A H X S+ 0 0 39 -4,-2.2 4,-2.7 -5,-0.2 -2,-0.2 0.944 112.8 47.7 -61.5 -48.4 -9.7 1.9 41.3 23 25 A D H X S+ 0 0 27 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.937 113.5 47.3 -54.3 -50.0 -8.7 1.4 37.6 24 26 A A H <>S+ 0 0 0 -4,-3.3 5,-2.1 2,-0.2 4,-0.3 0.873 111.2 51.0 -61.1 -40.9 -10.5 4.6 36.6 25 27 A R H ><5S+ 0 0 179 -4,-2.3 3,-1.7 1,-0.2 -2,-0.2 0.942 108.7 51.6 -63.2 -48.6 -9.0 6.6 39.4 26 28 A Q H 3<5S+ 0 0 171 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.873 106.8 54.6 -53.6 -40.9 -5.5 5.4 38.4 27 29 A L T 3<5S- 0 0 52 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.511 115.1-116.6 -76.3 -3.6 -6.1 6.5 34.9 28 30 A G T < 5 - 0 0 46 -3,-1.7 -25,-0.2 -4,-0.3 -3,-0.2 0.878 41.8-169.9 71.8 39.0 -7.0 10.0 36.0 29 31 A V < - 0 0 18 -5,-2.1 -1,-0.2 1,-0.1 -25,-0.2 -0.405 13.2-159.6 -64.1 136.9 -10.6 9.9 34.8 30 32 A D + 0 0 77 -27,-1.9 2,-0.3 1,-0.2 -26,-0.2 0.817 64.8 4.5 -89.4 -38.3 -12.4 13.3 34.9 31 33 A E E -b 4 0A 43 -28,-1.9 -26,-2.7 24,-0.0 2,-0.4 -0.956 60.2-134.4-148.0 168.8 -16.0 12.3 34.9 32 34 A Y E -bc 5 57A 9 24,-2.2 26,-1.7 -2,-0.3 27,-1.1 -0.979 5.1-158.7-130.4 132.5 -18.4 9.4 35.0 33 35 A W E -bc 6 59A 0 -28,-2.6 -26,-2.9 -2,-0.4 2,-0.6 -0.952 13.2-152.0-107.4 133.7 -21.5 8.5 33.0 34 36 A L E -bc 7 60A 0 25,-3.0 27,-2.3 -2,-0.5 -26,-0.2 -0.906 11.7-174.5-110.8 118.0 -23.9 6.0 34.5 35 37 A L - 0 0 0 -28,-2.9 126,-0.2 -2,-0.6 -27,-0.2 0.342 44.2-108.5 -98.4 7.3 -25.9 4.0 32.1 36 38 A G S S+ 0 0 0 -29,-0.4 -27,-2.3 27,-0.1 -26,-0.3 -0.192 80.6 104.8 96.3 177.4 -28.2 2.1 34.6 37 39 A D + 0 0 1 -28,-0.2 -26,-2.6 -29,-0.2 -27,-0.7 0.969 47.9 156.8 61.7 64.7 -28.7 -1.4 36.0 38 40 A I + 0 0 2 -28,-0.2 -26,-2.7 -29,-0.2 2,-0.3 0.965 49.4 32.1 -86.1 -59.9 -27.1 -0.4 39.3 39 41 A L S S+ 0 0 4 -28,-0.3 -1,-0.2 -27,-0.1 -28,-0.1 -0.776 80.1 78.1-110.1 149.2 -28.3 -2.7 41.9 40 42 A M S S+ 0 0 3 4,-0.4 -27,-0.1 -2,-0.3 -28,-0.1 0.502 73.3 22.7 81.5 141.4 -29.3 -6.4 41.8 41 43 A P S S+ 0 0 4 0, 0.0 -29,-0.2 0, 0.0 200,-0.1 -0.942 104.5 78.3 -95.7 18.9 -28.9 -9.3 41.6 42 44 A G S S- 0 0 2 -31,-2.0 -29,-0.2 2,-0.1 -2,-0.2 0.045 87.7 -95.1 -76.8-173.5 -25.5 -8.8 43.2 43 45 A T S S+ 0 0 2 -31,-0.4 -30,-0.2 -3,-0.1 2,-0.1 0.761 84.4 94.3 -77.2 -35.3 -24.2 -8.2 46.7 44 46 A G + 0 0 3 -32,-3.3 -4,-0.4 1,-0.1 -2,-0.1 -0.375 30.2 138.7 -78.0 140.4 -23.8 -4.4 47.0 45 47 A R S >> S+ 0 0 11 -2,-0.1 4,-2.1 -6,-0.1 3,-1.1 0.134 82.3 12.6-132.1-104.5 -26.4 -2.1 48.3 46 48 A R H 3> S+ 0 0 70 1,-0.3 4,-2.6 2,-0.2 5,-0.3 0.895 128.2 60.0 -41.1 -47.5 -25.4 0.9 50.5 47 49 A R H 3> S+ 0 0 108 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.887 106.1 44.6 -53.5 -43.3 -21.9 0.1 49.5 48 50 A I H <> S+ 0 0 0 -3,-1.1 4,-2.3 2,-0.2 -1,-0.2 0.944 113.9 49.0 -66.4 -48.2 -22.7 0.7 45.7 49 51 A L H X S+ 0 0 18 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.861 112.9 48.0 -63.6 -36.1 -24.6 3.8 46.4 50 52 A D H X S+ 0 0 59 -4,-2.6 4,-1.1 -5,-0.2 -1,-0.2 0.833 109.8 51.9 -70.8 -41.4 -21.8 5.2 48.6 51 53 A L H < S+ 0 0 12 -4,-2.0 3,-0.3 -5,-0.3 -2,-0.2 0.911 113.4 44.6 -59.8 -42.5 -19.1 4.4 46.1 52 54 A L H >< S+ 0 0 6 -4,-2.3 3,-2.0 1,-0.2 -2,-0.2 0.876 105.3 61.4 -71.5 -38.9 -21.1 6.2 43.3 53 55 A D H 3< S+ 0 0 127 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.782 98.6 59.2 -52.8 -33.9 -21.8 9.2 45.6 54 56 A Q T 3< S+ 0 0 139 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.560 95.3 90.4 -72.5 -10.2 -18.1 9.8 45.9 55 57 A L S < S- 0 0 33 -3,-2.0 2,-1.7 -4,-0.2 -24,-0.0 -0.613 83.6-118.6 -97.7 147.7 -17.8 10.2 42.1 56 58 A P + 0 0 68 0, 0.0 -24,-2.2 0, 0.0 2,-0.7 -0.644 44.1 179.9 -75.4 87.2 -18.0 13.2 39.7 57 59 A I E +c 32 0A 49 -2,-1.7 -24,-0.2 -26,-0.2 3,-0.1 -0.848 13.4 171.1 -96.3 110.3 -21.1 11.7 37.9 58 60 A T E + 0 0 50 -26,-1.7 2,-0.3 -2,-0.7 -25,-0.2 0.467 64.4 29.9-105.5 -5.7 -22.1 14.2 35.1 59 61 A A E +c 33 0A 5 -27,-1.1 -25,-3.0 2,-0.0 2,-0.3 -0.945 59.0 174.2-154.2 142.9 -24.7 12.0 33.4 60 62 A R E -c 34 0A 53 -2,-0.3 2,-0.3 -27,-0.2 -25,-0.2 -0.984 6.0-171.1-149.6 127.9 -27.1 9.3 34.5 61 63 A V - 0 0 2 -27,-2.3 2,-0.4 -2,-0.3 50,-0.2 -0.873 31.9 -96.7-123.9 158.9 -29.9 7.4 32.7 62 64 A L - 0 0 14 48,-2.7 64,-0.4 -2,-0.3 2,-0.2 -0.535 33.0-159.3 -78.8 123.0 -32.6 5.0 33.8 63 65 A G >> - 0 0 0 -2,-0.4 4,-1.2 63,-0.1 3,-0.9 -0.647 28.7-115.4 -92.6 158.0 -32.0 1.3 33.5 64 66 A N H 3> S+ 0 0 29 68,-0.9 4,-2.0 1,-0.2 69,-0.1 0.789 113.8 60.6 -62.8 -30.1 -34.8 -1.4 33.4 65 67 A W H 3> S+ 0 0 50 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.781 98.4 57.9 -68.8 -25.0 -33.6 -2.9 36.7 66 68 A E H <> S+ 0 0 7 -3,-0.9 4,-2.4 2,-0.2 -2,-0.2 0.908 107.9 47.3 -67.1 -40.2 -34.2 0.4 38.4 67 69 A D H X S+ 0 0 36 -4,-1.2 4,-3.1 2,-0.2 5,-0.3 0.906 111.0 52.3 -60.6 -44.6 -37.9 0.2 37.2 68 70 A S H X S+ 0 0 26 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.921 109.5 47.7 -58.6 -45.5 -37.9 -3.4 38.5 69 71 A L H X S+ 0 0 4 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.944 113.1 49.7 -59.8 -48.8 -36.6 -2.4 41.9 70 72 A W H X S+ 0 0 33 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.924 115.6 40.8 -55.3 -53.4 -39.2 0.4 42.0 71 73 A H H <>S+ 0 0 67 -4,-3.1 5,-3.0 1,-0.2 6,-0.4 0.877 112.2 58.7 -65.4 -37.1 -42.1 -1.9 41.1 72 74 A G H ><5S+ 0 0 5 -4,-2.9 3,-1.1 -5,-0.3 5,-0.2 0.915 108.1 43.0 -57.4 -47.3 -40.7 -4.6 43.3 73 75 A V H 3<5S+ 0 0 26 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.794 110.5 56.0 -72.5 -27.4 -40.9 -2.5 46.5 74 76 A R T 3<5S- 0 0 128 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.340 115.1-116.9 -82.5 5.6 -44.3 -1.2 45.6 75 77 A K T < 5S+ 0 0 189 -3,-1.1 -3,-0.2 -4,-0.1 -2,-0.1 0.817 75.5 133.2 58.8 37.0 -45.5 -4.8 45.4 76 78 A E < + 0 0 97 -5,-3.0 2,-0.3 -6,-0.1 -4,-0.2 0.265 36.8 101.3-100.9 11.2 -46.3 -4.3 41.6 77 79 A L S S- 0 0 26 -6,-0.4 2,-0.7 -5,-0.2 -9,-0.0 -0.675 80.9-103.6 -96.5 150.6 -44.7 -7.5 40.4 78 80 A D - 0 0 75 -2,-0.3 3,-0.4 1,-0.1 6,-0.2 -0.633 23.5-165.3 -77.3 110.6 -46.5 -10.7 39.4 79 81 A S S S+ 0 0 74 -2,-0.7 -1,-0.1 1,-0.2 6,-0.1 0.498 82.8 70.9 -70.0 -5.9 -46.2 -13.4 42.1 80 82 A T S S+ 0 0 120 4,-0.0 -1,-0.2 5,-0.0 -2,-0.0 0.942 86.6 71.8 -73.7 -47.9 -47.4 -16.0 39.7 81 83 A R S > S- 0 0 126 -3,-0.4 4,-2.2 1,-0.1 3,-0.3 -0.511 72.5-145.4 -80.5 130.8 -44.3 -16.0 37.5 82 84 A P H > S+ 0 0 105 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.838 101.1 57.2 -56.9 -40.0 -41.0 -17.6 38.9 83 85 A S H > S+ 0 0 63 1,-0.2 4,-1.4 2,-0.2 -4,-0.1 0.873 110.1 45.2 -62.3 -36.3 -38.9 -15.0 37.1 84 86 A Q H > S+ 0 0 29 -3,-0.3 4,-2.9 -6,-0.2 -1,-0.2 0.889 109.1 53.9 -75.8 -39.8 -40.8 -12.2 39.0 85 87 A R H X S+ 0 0 107 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.903 107.1 53.1 -60.1 -42.3 -40.6 -14.0 42.4 86 88 A Y H X S+ 0 0 46 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.927 110.4 47.6 -54.3 -45.7 -36.9 -14.2 41.9 87 89 A L H X S+ 0 0 18 -4,-1.4 4,-2.6 1,-0.2 -2,-0.2 0.913 107.9 55.7 -63.3 -43.9 -37.0 -10.4 41.3 88 90 A L H X S+ 0 0 20 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.873 105.4 51.4 -53.8 -42.5 -39.1 -9.9 44.4 89 91 A R H X S+ 0 0 101 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.883 110.8 48.9 -67.5 -35.3 -36.6 -11.6 46.5 90 92 A Q H X S+ 0 0 1 -4,-1.5 4,-2.7 2,-0.2 -2,-0.2 0.905 110.3 50.3 -68.1 -41.4 -33.8 -9.3 45.1 91 93 A C H X S+ 0 0 2 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.924 111.9 47.9 -61.7 -44.8 -35.9 -6.2 45.8 92 94 A Q H X S+ 0 0 111 -4,-2.3 4,-1.1 2,-0.2 -2,-0.2 0.894 110.1 52.7 -63.3 -43.0 -36.6 -7.3 49.4 93 95 A Y H >< S+ 0 0 8 -4,-2.2 3,-0.9 1,-0.2 4,-0.4 0.959 111.1 46.5 -55.0 -51.4 -32.9 -8.0 49.8 94 96 A V H >X S+ 0 0 2 -4,-2.7 3,-1.9 1,-0.2 4,-1.8 0.896 103.9 63.2 -56.3 -43.7 -32.1 -4.5 48.5 95 97 A L H 3< S+ 0 0 72 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.720 87.1 72.1 -57.5 -29.1 -34.8 -2.9 50.8 96 98 A E T << S+ 0 0 144 -4,-1.1 -1,-0.3 -3,-0.9 -2,-0.2 0.739 117.4 18.4 -56.4 -28.4 -32.9 -4.1 54.0 97 99 A E T <4 S+ 0 0 83 -3,-1.9 2,-0.4 -4,-0.4 -2,-0.2 0.630 118.5 67.7-115.4 -18.8 -30.2 -1.4 53.3 98 100 A I S < S- 0 0 2 -4,-1.8 -1,-0.1 3,-0.0 2,-0.1 -0.881 73.3-133.8-114.8 129.9 -31.9 1.1 50.9 99 101 A S > - 0 0 55 -2,-0.4 4,-2.1 1,-0.1 3,-0.3 -0.431 23.2-115.2 -79.2 157.0 -34.8 3.3 51.9 100 102 A L H > S+ 0 0 109 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.859 117.7 58.4 -54.7 -38.3 -37.9 3.9 49.8 101 103 A E H > S+ 0 0 165 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.886 106.5 47.0 -61.4 -42.1 -36.8 7.5 49.3 102 104 A E H > S+ 0 0 48 -3,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.888 108.9 53.8 -66.0 -39.7 -33.5 6.4 47.8 103 105 A I H X S+ 0 0 2 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.869 106.3 54.6 -63.8 -33.4 -35.3 3.9 45.5 104 106 A E H X S+ 0 0 75 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.913 107.3 49.6 -62.4 -44.3 -37.4 6.9 44.4 105 107 A V H >< S+ 0 0 85 -4,-1.7 3,-0.6 2,-0.2 -2,-0.2 0.948 110.1 49.9 -59.3 -52.2 -34.2 8.8 43.5 106 108 A L H 3< S+ 0 0 7 -4,-2.5 3,-0.2 1,-0.2 -1,-0.2 0.848 113.0 48.2 -52.2 -39.4 -32.9 5.8 41.5 107 109 A H H 3< S+ 0 0 31 -4,-1.8 2,-1.3 1,-0.2 -1,-0.2 0.717 95.2 75.4 -76.5 -24.0 -36.2 5.6 39.6 108 110 A N S << S+ 0 0 109 -4,-1.4 -1,-0.2 -3,-0.6 -2,-0.1 -0.275 71.0 118.6 -89.0 55.1 -36.4 9.4 38.8 109 111 A Q - 0 0 47 -2,-1.3 -48,-0.1 -3,-0.2 -47,-0.1 -0.879 66.7-103.2-121.5 148.8 -33.9 9.4 36.0 110 112 A P - 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0 0 222 -3,-1.3 -3,-0.2 -4,-0.5 -2,-0.1 0.843 38.7-168.7 59.8 39.1 5.0 16.4 -7.5 485 237 B L > < - 0 0 9 -5,-2.3 3,-0.6 -6,-0.2 -1,-0.2 -0.362 24.4-113.5 -51.4 127.3 2.5 13.9 -6.2 486 238 B P T 3 S+ 0 0 30 0, 0.0 5,-0.1 0, 0.0 -1,-0.1 -0.266 92.1 19.5 -65.3 154.6 -0.1 13.4 -9.0 487 239 B Y T >> S+ 0 0 70 3,-0.1 4,-1.6 1,-0.1 3,-1.3 0.840 71.5 175.5 54.0 43.7 -3.7 14.5 -8.5 488 240 B F H <> S+ 0 0 36 -3,-0.6 4,-3.4 1,-0.2 5,-0.2 0.825 72.3 55.1 -42.8 -47.6 -2.9 16.9 -5.7 489 241 B E H 3> S+ 0 0 131 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.758 106.9 51.2 -67.8 -26.5 -6.4 18.3 -5.3 490 242 B V H <> S+ 0 0 76 -3,-1.3 4,-1.6 2,-0.2 -1,-0.2 0.871 114.2 43.7 -71.5 -39.3 -7.9 14.8 -4.8 491 243 B Y H X S+ 0 0 5 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.941 113.7 51.0 -71.2 -47.9 -5.2 14.1 -2.1 492 244 B Y H X S+ 0 0 87 -4,-3.4 4,-1.6 1,-0.2 5,-0.4 0.929 109.5 51.5 -48.7 -52.1 -5.8 17.6 -0.5 493 245 B E H X>S+ 0 0 75 -4,-1.8 4,-1.8 1,-0.2 5,-1.3 0.852 109.9 47.9 -61.0 -37.8 -9.5 16.9 -0.5 494 246 B S H <5S+ 0 0 17 -4,-1.6 -1,-0.2 4,-0.2 -2,-0.2 0.869 115.7 43.6 -70.6 -35.7 -9.2 13.6 1.3 495 247 B L H <5S+ 0 0 5 -4,-2.2 -2,-0.2 2,-0.1 -1,-0.2 0.696 126.2 29.3 -82.8 -18.6 -6.8 14.9 4.0 496 248 B V H <5S+ 0 0 56 -4,-1.6 -3,-0.2 -5,-0.2 -2,-0.2 0.780 136.8 18.1-111.3 -42.8 -8.7 18.2 4.7 497 249 B N T <5S- 0 0 74 -4,-1.8 -3,-0.2 -5,-0.4 -2,-0.1 0.622 88.2-131.5-111.1 -19.6 -12.3 17.4 4.0 498 250 B G < 0 0 8 -5,-1.3 -60,-0.5 1,-0.3 -4,-0.2 0.709 360.0 360.0 74.5 22.9 -12.6 13.6 4.0 499 251 B I 0 0 144 -6,-0.9 -1,-0.3 -9,-0.1 -2,-0.2 -0.565 360.0 360.0-133.4 360.0 -14.5 13.2 0.8