==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR 13-DEC-10 3PYL . COMPND 2 MOLECULE: ASPARTATE-SEMIALDEHYDE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR A.G.PAVLOVSKY,X LIU,C.R.FAEHNLE,N.POTENTE,VIOLA.R.E. . 1432 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 51193.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 972 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 157 11.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 143 10.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 99 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 161 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 332 23.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 32 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 8 0 0 0 0 1 3 1 3 10 2 0 0 8 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 4 11 5 0 4 0 4 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 . 12 0 0 4 1 3 4 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 . 4 0 0 0 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 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 G 0 0 59 0, 0.0 27,-0.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0-169.6 18.0 2.6 -6.5 2 3 A Y E -a 28 0A 35 25,-2.5 27,-2.1 63,-0.0 28,-1.9 -0.682 360.0-130.0-109.8 151.9 15.2 5.1 -6.8 3 4 A T E -a 30 0A 21 -2,-0.3 62,-2.3 60,-0.2 63,-1.7 -0.917 40.1-170.3 -87.1 120.0 14.3 8.3 -8.6 4 5 A V E -ab 31 66A 0 26,-2.8 28,-2.2 -2,-0.6 2,-0.4 -0.952 9.5-160.2-118.1 133.4 13.1 10.5 -5.7 5 6 A A E -ab 32 67A 0 61,-2.9 63,-3.4 -2,-0.4 2,-0.6 -0.904 8.8-154.3-111.1 141.9 11.3 13.9 -5.9 6 7 A V E > -ab 33 68A 0 26,-2.2 28,-3.1 -2,-0.4 2,-0.7 -0.974 14.7-156.5-110.4 116.7 11.0 16.5 -3.3 7 8 A V E 3 S+ab 34 69A 0 61,-2.3 63,-3.3 -2,-0.6 28,-0.2 -0.837 81.9 22.3 -99.5 111.0 7.9 18.6 -4.0 8 9 A G T 3 S+ 0 0 12 26,-3.7 -1,-0.3 -2,-0.7 27,-0.2 0.801 76.6 167.4 95.3 49.9 8.2 22.1 -2.4 9 10 A A < + 0 0 1 25,-2.1 9,-0.2 -3,-0.5 2,-0.1 0.688 49.5 75.1 -73.3 -23.1 12.0 21.9 -2.2 10 11 A T S > S+ 0 0 55 24,-0.2 4,-0.7 4,-0.1 3,-0.2 -0.480 78.3 38.3 -88.0 162.3 12.5 25.6 -1.4 11 12 A G H > S- 0 0 55 1,-0.2 4,-2.5 2,-0.2 5,-0.2 -0.135 102.4 -61.6 88.4 173.9 11.9 27.2 2.0 12 13 A A H > S+ 0 0 55 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.782 132.9 50.8 -69.4 -31.2 12.5 26.0 5.5 13 14 A V H > S+ 0 0 82 2,-0.2 4,-1.8 -3,-0.2 -1,-0.2 0.933 113.0 46.1 -69.9 -47.0 10.1 23.0 5.3 14 15 A G H X S+ 0 0 0 -4,-0.7 4,-2.7 1,-0.2 -2,-0.2 0.913 110.7 52.9 -59.8 -46.1 11.8 21.8 2.0 15 16 A A H X S+ 0 0 55 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.856 107.7 51.8 -59.5 -39.3 15.2 22.3 3.5 16 17 A Q H X S+ 0 0 52 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.898 110.8 48.1 -61.8 -42.2 14.2 20.2 6.5 17 18 A M H X S+ 0 0 4 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.905 110.1 51.4 -65.7 -44.6 13.0 17.4 4.2 18 19 A I H X S+ 0 0 11 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.937 108.3 53.1 -55.4 -49.4 16.2 17.6 2.1 19 20 A K H X S+ 0 0 93 -4,-2.2 4,-1.0 1,-0.2 -2,-0.2 0.895 110.7 44.7 -58.1 -46.7 18.3 17.2 5.3 20 21 A M H < S+ 0 0 4 -4,-1.9 3,-0.4 1,-0.2 -1,-0.2 0.895 113.5 51.3 -64.7 -38.4 16.5 14.1 6.5 21 22 A L H >< S+ 0 0 0 -4,-2.2 3,-1.2 1,-0.2 -2,-0.2 0.866 104.2 57.3 -65.0 -39.5 16.7 12.6 3.0 22 23 A E H 3< S+ 0 0 57 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.775 111.2 43.4 -62.1 -28.4 20.4 13.2 2.8 23 24 A E T 3< S+ 0 0 95 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.333 94.3 116.7 -98.0 2.6 20.9 11.1 6.0 24 25 A S < - 0 0 16 -3,-1.2 -3,-0.1 -4,-0.2 311,-0.0 -0.279 66.2-139.2 -69.7 156.0 18.5 8.4 4.8 25 26 A T + 0 0 47 2,-0.1 -1,-0.1 -2,-0.0 -4,-0.1 0.484 64.7 126.7 -86.7 -6.8 19.4 4.8 4.1 26 27 A L - 0 0 8 -5,-0.1 2,-0.8 1,-0.1 1031,-0.1 -0.265 68.7-121.8 -55.8 127.7 17.2 4.9 1.0 27 28 A P - 0 0 21 0, 0.0 -25,-2.5 0, 0.0 2,-0.5 -0.661 37.1-173.2 -77.4 113.3 19.1 3.9 -2.2 28 29 A I E +a 2 0A 38 -2,-0.8 -25,-0.2 -27,-0.3 3,-0.1 -0.940 24.3 169.5-115.2 118.9 18.8 6.9 -4.4 29 30 A D E S+ 0 0 123 -27,-2.1 2,-0.3 -2,-0.5 -26,-0.2 0.606 76.7 19.8 -96.2 -19.5 20.0 6.9 -8.1 30 31 A K E -a 3 0A 121 -28,-1.9 -26,-2.8 2,-0.0 2,-0.4 -0.944 63.3-161.6-157.0 129.6 18.4 10.2 -9.0 31 32 A I E -a 4 0A 17 -2,-0.3 2,-0.4 -28,-0.2 -26,-0.2 -0.908 8.4-173.2-112.5 139.9 17.1 13.2 -7.1 32 33 A R E -a 5 0A 32 -28,-2.2 -26,-2.2 -2,-0.4 2,-0.5 -0.999 11.5-150.4-133.9 138.3 14.7 15.9 -8.4 33 34 A Y E -a 6 0A 0 19,-0.5 21,-3.1 -2,-0.4 2,-0.4 -0.935 14.1-170.2-112.5 124.6 13.7 19.1 -6.8 34 35 A L E +ac 7 54A 0 -28,-3.1 -26,-3.7 -2,-0.5 -25,-2.1 -0.938 20.4 134.5-118.8 134.3 10.2 20.6 -7.6 35 36 A A E - c 0 55A 5 19,-2.3 21,-2.2 -2,-0.4 5,-0.1 -0.852 54.4 -46.7-154.2-170.4 8.9 24.0 -6.6 36 37 A S >> - 0 0 72 -2,-0.2 3,-1.4 19,-0.2 4,-0.8 -0.142 57.9-101.5 -65.5 163.7 6.9 27.0 -8.1 37 38 A A T 34 S+ 0 0 59 1,-0.3 3,-0.5 2,-0.2 -1,-0.1 0.806 121.1 61.9 -57.1 -32.8 7.7 28.6 -11.5 38 39 A R T 34 S+ 0 0 80 1,-0.2 -1,-0.3 3,-0.1 17,-0.0 0.789 106.2 45.5 -61.2 -31.3 9.6 31.5 -9.7 39 40 A S T X4 S+ 0 0 17 -3,-1.4 3,-1.8 2,-0.1 14,-0.3 0.593 84.9 115.7 -91.6 -13.6 12.1 29.0 -8.2 40 41 A A T 3< S+ 0 0 44 -4,-0.8 14,-0.2 -3,-0.5 3,-0.1 -0.324 77.8 24.7 -60.5 135.3 12.7 27.1 -11.5 41 42 A G T 3 S+ 0 0 61 12,-2.3 -1,-0.2 1,-0.4 13,-0.1 0.118 96.4 114.7 93.3 -20.8 16.3 27.4 -12.7 42 43 A K < - 0 0 122 -3,-1.8 11,-3.0 11,-0.1 -1,-0.4 -0.295 62.2-125.9 -70.3 167.6 17.6 28.1 -9.2 43 44 A S E +G 52 0B 66 9,-0.2 2,-0.3 -3,-0.1 9,-0.2 -0.942 24.9 179.3-126.2 139.0 19.9 25.6 -7.6 44 45 A L E -G 51 0B 60 7,-2.4 7,-3.1 -2,-0.4 2,-0.1 -0.988 30.6-107.9-133.1 147.3 19.9 23.6 -4.3 45 46 A K E -G 50 0B 105 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.413 21.7-174.8 -68.5 140.7 22.4 21.1 -2.8 46 47 A F E > S-G 49 0B 7 3,-2.8 3,-1.9 -2,-0.1 2,-0.4 -0.854 71.7 -58.5-127.1 107.2 21.8 17.4 -2.5 47 48 A K T 3 S- 0 0 106 -2,-0.3 -25,-0.0 1,-0.2 -2,-0.0 -0.510 122.5 -14.7 57.2-116.6 24.8 16.0 -0.6 48 49 A D T 3 S+ 0 0 154 -2,-0.4 2,-0.4 -3,-0.1 -1,-0.2 0.341 122.5 86.9 -95.0 5.0 27.8 17.0 -2.9 49 50 A Q E < S-G 46 0B 117 -3,-1.9 -3,-2.8 -5,-0.0 2,-0.5 -0.868 71.4-131.0-114.8 141.9 25.7 17.8 -6.0 50 51 A D E -G 45 0B 106 -2,-0.4 2,-0.5 -5,-0.2 -5,-0.2 -0.780 26.0-157.7 -85.7 121.9 24.0 21.0 -7.2 51 52 A I E -G 44 0B 25 -7,-3.1 -7,-2.4 -2,-0.5 2,-0.4 -0.910 10.6-136.3-108.1 122.4 20.4 20.3 -8.2 52 53 A T E -G 43 0B 90 -2,-0.5 -19,-0.5 -9,-0.2 -9,-0.2 -0.640 27.4-122.4 -75.1 124.6 18.5 22.6 -10.6 53 54 A I - 0 0 4 -11,-3.0 -12,-2.3 -2,-0.4 2,-0.3 -0.467 25.2-157.6 -70.9 134.7 15.0 23.2 -9.4 54 55 A E E -c 34 0A 78 -21,-3.1 -19,-2.3 -14,-0.2 2,-0.3 -0.831 24.0-103.3-109.8 153.0 12.1 22.2 -11.8 55 56 A E E -c 35 0A 92 -2,-0.3 2,-0.5 -21,-0.2 -19,-0.2 -0.569 35.4-115.4 -74.5 134.0 8.5 23.6 -11.8 56 57 A T + 0 0 12 -21,-2.2 2,-0.3 -2,-0.3 -19,-0.1 -0.605 52.6 154.3 -67.4 118.4 5.9 21.3 -10.3 57 58 A T > - 0 0 30 -2,-0.5 3,-0.6 22,-0.1 4,-0.2 -0.849 59.5-100.5-135.1 177.3 3.4 20.4 -13.1 58 59 A E T 3 S+ 0 0 74 -2,-0.3 3,-0.3 1,-0.2 -2,-0.0 0.714 125.5 42.5 -67.0 -23.9 1.0 17.6 -14.0 59 60 A T T > S+ 0 0 111 1,-0.1 3,-0.9 2,-0.1 -1,-0.2 0.418 90.0 90.2-104.2 -1.1 3.7 16.2 -16.4 60 61 A A T < S+ 0 0 11 -3,-0.6 -1,-0.1 1,-0.2 -2,-0.1 0.530 73.2 69.0 -76.1 -7.9 6.7 16.7 -14.1 61 62 A F T > + 0 0 0 -3,-0.3 3,-2.1 -4,-0.2 -1,-0.2 0.353 60.5 135.9-100.6 6.6 6.5 13.2 -12.4 62 63 A E T < S+ 0 0 133 -3,-0.9 3,-0.1 1,-0.3 25,-0.1 -0.339 80.3 7.3 -60.4 124.1 7.5 10.9 -15.3 63 64 A G T 3 S+ 0 0 54 23,-0.5 2,-0.3 1,-0.3 -1,-0.3 0.409 93.4 138.6 86.0 -2.2 9.9 8.3 -14.1 64 65 A V < - 0 0 4 -3,-2.1 -1,-0.3 1,-0.2 -60,-0.2 -0.606 31.5-175.3 -80.8 133.7 9.6 9.2 -10.4 65 66 A D S S+ 0 0 59 -62,-2.3 24,-2.0 -2,-0.3 2,-0.4 0.874 71.9 15.7 -89.9 -45.0 9.5 6.3 -7.9 66 67 A I E -bd 4 89A 0 -63,-1.7 -61,-2.9 22,-0.2 2,-0.5 -0.994 63.5-162.9-134.2 135.0 8.9 8.2 -4.7 67 68 A A E -bd 5 90A 0 22,-2.3 24,-2.8 -2,-0.4 2,-0.8 -0.981 4.9-159.4-122.3 124.6 7.7 11.8 -4.1 68 69 A L E -bd 6 91A 0 -63,-3.4 -61,-2.3 -2,-0.5 2,-0.3 -0.883 14.0-154.5-100.0 105.6 8.1 13.6 -0.8 69 70 A F E +b 7 0A 0 22,-2.0 -61,-0.2 -2,-0.8 24,-0.1 -0.618 23.5 165.6 -77.6 134.4 5.7 16.5 -0.6 70 71 A S + 0 0 4 -63,-3.3 -56,-0.2 -2,-0.3 2,-0.1 -0.141 49.2 78.0-143.0 42.1 6.8 19.3 1.7 71 72 A A S S- 0 0 34 1,-0.2 2,-0.1 -58,-0.1 -63,-0.1 -0.233 84.6 -56.2-123.2-147.0 4.5 22.2 0.7 72 73 A G > - 0 0 34 -2,-0.1 4,-1.7 22,-0.1 3,-0.3 -0.358 51.1 -94.2 -98.5 179.4 0.9 23.1 1.5 73 74 A S H > S+ 0 0 53 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.775 119.9 57.6 -62.5 -33.8 -2.5 21.4 1.0 74 75 A S H > S+ 0 0 73 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.883 106.2 49.0 -69.8 -38.7 -3.2 23.1 -2.4 75 76 A T H > S+ 0 0 34 -3,-0.3 4,-2.8 2,-0.2 5,-0.4 0.918 115.2 44.8 -62.5 -46.4 0.0 21.7 -3.9 76 77 A S H X S+ 0 0 0 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.912 112.9 49.5 -62.9 -49.2 -0.8 18.2 -2.6 77 78 A A H < S+ 0 0 11 -4,-2.8 280,-0.3 1,-0.2 -1,-0.2 0.889 119.4 39.8 -57.0 -42.0 -4.5 18.3 -3.7 78 79 A K H < S+ 0 0 93 -4,-2.0 4,-0.3 -5,-0.2 279,-0.3 0.898 128.6 23.5 -75.8 -43.5 -3.4 19.5 -7.1 79 80 A Y H X S+ 0 0 44 -4,-2.8 4,-2.2 -5,-0.2 3,-0.2 0.757 102.6 72.3-107.3 -25.8 -0.3 17.4 -7.8 80 81 A A H X S+ 0 0 0 -4,-1.8 4,-2.4 -5,-0.4 5,-0.2 0.900 97.8 53.3 -58.7 -43.4 -0.4 14.2 -5.7 81 82 A P H > S+ 0 0 3 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.859 110.4 48.2 -63.2 -32.0 -3.1 12.6 -7.9 82 83 A Y H > S+ 0 0 31 -4,-0.3 4,-2.0 -3,-0.2 -2,-0.2 0.857 108.0 54.4 -71.7 -37.2 -1.0 13.3 -11.0 83 84 A A H <>S+ 0 0 0 -4,-2.2 5,-2.4 2,-0.2 4,-0.3 0.957 109.1 49.1 -57.8 -49.0 2.0 11.8 -9.3 84 85 A V H ><5S+ 0 0 2 -4,-2.4 3,-1.7 1,-0.2 265,-0.5 0.903 108.6 52.5 -57.0 -45.3 0.0 8.6 -8.6 85 86 A K H 3<5S+ 0 0 132 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.878 105.5 55.5 -59.2 -38.9 -1.2 8.4 -12.3 86 87 A A T 3<5S- 0 0 27 -4,-2.0 -23,-0.5 -3,-0.1 -1,-0.3 0.492 128.5 -99.1 -71.0 -4.4 2.4 8.7 -13.4 87 88 A G T < 5S+ 0 0 19 -3,-1.7 -3,-0.2 -4,-0.3 -2,-0.1 0.534 76.6 141.4 97.0 9.7 3.2 5.6 -11.2 88 89 A V < - 0 0 0 -5,-2.4 2,-0.6 -6,-0.2 -1,-0.3 -0.432 50.2-134.1 -80.9 152.6 4.7 7.4 -8.2 89 90 A V E -d 66 0A 1 -24,-2.0 -22,-2.3 -2,-0.1 2,-0.4 -0.966 29.1-150.9-100.9 122.6 4.3 6.5 -4.5 90 91 A V E -de 67 121A 0 30,-3.8 32,-2.8 -2,-0.6 2,-0.6 -0.817 17.3-165.7-100.1 130.5 3.5 9.8 -2.7 91 92 A V E -de 68 122A 0 -24,-2.8 -22,-2.0 -2,-0.4 2,-0.3 -0.951 23.4-158.3-107.1 106.2 4.3 10.5 0.9 92 93 A D E - e 0 123A 0 30,-2.6 32,-2.8 -2,-0.6 -22,-0.1 -0.676 18.4-164.6 -93.1 141.2 2.2 13.6 1.7 93 94 A N + 0 0 32 -2,-0.3 -1,-0.1 30,-0.2 -20,-0.1 0.679 62.3 81.9 -92.2 -21.1 3.1 16.0 4.6 94 95 A T S S- 0 0 11 -22,-0.2 3,-0.3 1,-0.1 4,-0.2 -0.097 83.2-114.7 -88.3 178.5 -0.2 17.9 4.8 95 96 A S S >> S+ 0 0 43 1,-0.2 3,-0.8 2,-0.1 4,-0.5 0.596 90.7 96.1 -83.5 -10.9 -3.6 17.2 6.5 96 97 A Y T 34 S+ 0 0 110 1,-0.3 3,-0.2 2,-0.1 -1,-0.2 0.816 94.4 24.1 -54.2 -46.6 -5.4 17.0 3.1 97 98 A F T >4 S+ 0 0 9 -3,-0.3 3,-1.5 1,-0.1 -1,-0.3 0.493 94.3 102.2 -97.5 -3.0 -5.4 13.2 2.5 98 99 A R T <4 S+ 0 0 14 -3,-0.8 -1,-0.1 1,-0.3 -2,-0.1 0.790 87.8 36.7 -56.5 -37.3 -5.1 12.2 6.2 99 100 A Q T 3< S+ 0 0 90 -4,-0.5 -1,-0.3 -3,-0.2 -2,-0.1 0.408 85.8 119.6 -99.4 2.4 -8.8 11.3 6.7 100 101 A N X - 0 0 45 -3,-1.5 3,-2.3 1,-0.1 -3,-0.0 -0.552 63.6-140.3 -66.2 120.9 -9.2 9.8 3.2 101 102 A P T 3 S+ 0 0 119 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.696 101.4 57.2 -59.6 -20.3 -10.2 6.1 3.7 102 103 A D T 3 S+ 0 0 58 251,-0.1 17,-0.6 -5,-0.1 19,-0.3 0.390 97.3 78.3 -88.4 1.9 -8.0 5.1 0.8 103 104 A V S < S- 0 0 3 -3,-2.3 19,-0.2 -6,-0.2 2,-0.1 -0.951 76.1-134.8-119.8 118.9 -4.9 6.7 2.4 104 105 A P - 0 0 13 0, 0.0 19,-2.9 0, 0.0 2,-0.6 -0.480 11.4-150.0 -66.2 140.7 -2.9 5.1 5.2 105 106 A L B -f 123 0A 3 17,-0.2 2,-0.4 -2,-0.1 19,-0.2 -0.962 31.8-163.2-114.8 107.1 -2.0 7.5 8.0 106 107 A V + 0 0 0 17,-2.0 230,-0.1 -2,-0.6 6,-0.1 -0.848 44.4 171.6-124.2 130.2 1.3 6.2 9.3 107 108 A V >> - 0 0 0 -2,-0.4 3,-2.8 123,-0.1 4,-2.2 -0.972 35.9-143.8-114.2 107.7 3.7 6.3 12.2 108 109 A P H 3> S+ 0 0 13 0, 0.0 4,-0.7 0, 0.0 5,-0.1 0.722 95.7 49.5 -51.2 -32.3 6.2 3.5 11.2 109 110 A E H 34 S+ 0 0 35 2,-0.1 -3,-0.0 1,-0.1 168,-0.0 0.657 121.6 36.5 -77.4 -14.0 6.9 2.2 14.7 110 111 A V H <4 S+ 0 0 14 -3,-2.8 3,-0.1 1,-0.0 -1,-0.1 0.876 133.8 5.9-105.6 -54.8 3.1 2.0 15.4 111 112 A N H >< + 0 0 4 -4,-2.2 3,-1.5 1,-0.1 4,-0.3 -0.260 66.4 141.8-135.6 47.5 1.2 1.0 12.3 112 113 A A G >< S+ 0 0 16 -4,-0.7 3,-1.5 1,-0.3 4,-0.4 0.786 70.2 70.4 -58.1 -27.4 3.6 0.0 9.5 113 114 A H G > S+ 0 0 95 1,-0.3 3,-1.2 2,-0.2 4,-0.3 0.793 85.0 67.6 -61.1 -28.7 1.2 -2.8 8.5 114 115 A A G X S+ 0 0 21 -3,-1.5 3,-0.5 1,-0.2 -1,-0.3 0.667 87.5 69.1 -65.9 -18.7 -1.3 -0.2 7.2 115 116 A L G X S+ 0 0 0 -3,-1.5 3,-2.0 -4,-0.3 -1,-0.2 0.779 81.3 74.8 -67.2 -30.4 1.2 0.6 4.4 116 117 A D G < S+ 0 0 70 -3,-1.2 -1,-0.2 -4,-0.4 -2,-0.2 0.807 97.2 45.7 -58.3 -34.3 0.7 -2.8 2.7 117 118 A A G < S+ 0 0 79 -3,-0.5 -1,-0.3 -4,-0.3 -2,-0.1 0.251 84.9 145.4 -93.1 13.5 -2.7 -1.8 1.3 118 119 A H < - 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0 0 136 -2,-0.2 3,-2.2 1,-0.1 4,-0.5 -0.563 18.8-125.6 -67.8 133.9 21.9 27.8 22.4 540 182 B P G > S+ 0 0 32 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.881 112.0 65.8 -48.5 -40.7 19.2 27.4 25.1 541 183 B C G 3 S+ 0 0 64 -248,-0.2 -3,-0.0 1,-0.2 -247,-0.0 0.790 102.2 45.1 -35.1 -46.3 21.0 24.0 25.6 542 184 B D G < S+ 0 0 109 -3,-2.2 -1,-0.2 2,-0.1 -3,-0.0 0.350 82.7 126.1 -97.6 2.9 24.2 25.8 26.8 543 185 B L < - 0 0 15 -3,-1.5 2,-0.4 -4,-0.5 -14,-0.0 -0.316 55.3-133.3 -63.4 143.0 22.6 28.3 29.2 544 186 B H + 0 0 125 13,-0.1 2,-0.3 -15,-0.0 13,-0.1 -0.836 28.9 179.7 -95.6 138.2 23.9 28.4 32.8 545 187 B A + 0 0 12 -2,-0.4 11,-0.2 11,-0.2 -19,-0.0 -0.985 23.7 177.4-140.9 148.8 21.2 28.6 35.5 546 188 B E S S+ 0 0 105 -2,-0.3 -1,-0.1 11,-0.1 -24,-0.1 0.476 78.7 32.1-126.8 -11.9 21.2 28.7 39.3 547 189 B I S S+ 0 0 49 10,-0.1 3,-0.5 1,-0.1 6,-0.3 0.775 83.8 107.7-113.7 -70.1 17.6 29.0 40.4 548 190 B L S S+ 0 0 0 1,-0.3 9,-1.9 8,-0.1 -1,-0.1 -0.254 77.3 22.7 -65.9 148.6 15.0 27.2 38.2 549 191 B P S S- 0 0 1 0, 0.0 19,-0.5 0, 0.0 2,-0.3 -0.952 138.4 -17.3 -72.5 -25.6 13.2 24.8 38.4 550 192 B S > - 0 0 16 -3,-0.5 3,-1.3 5,-0.4 -2,-0.1 -0.974 40.2-149.9-149.0 133.4 13.7 25.2 42.2 551 193 B G T 3 S+ 0 0 62 -2,-0.3 -3,-0.1 1,-0.3 -1,-0.1 0.638 102.8 58.0 -70.1 -17.4 16.1 27.0 44.5 552 194 B G T 3 S+ 0 0 69 -5,-0.1 -1,-0.3 0, 0.0 2,-0.2 0.430 97.0 82.6 -89.1 -0.2 15.6 24.2 47.1 553 195 B D S < S- 0 0 32 -3,-1.3 16,-0.0 -6,-0.3 -3,-0.0 -0.602 79.7-120.8-109.7 169.5 16.8 21.5 44.7 554 196 B K S S+ 0 0 181 -2,-0.2 2,-0.3 2,-0.0 -1,-0.1 0.820 89.5 46.4 -77.9 -37.7 20.2 20.1 43.7 555 197 B K - 0 0 80 -8,-0.0 -5,-0.4 -5,-0.0 2,-0.4 -0.838 65.4-155.9-113.9 149.8 20.1 20.7 39.9 556 198 B H - 0 0 60 -2,-0.3 -11,-0.2 -11,-0.2 -8,-0.1 -0.962 8.2-167.9-127.9 140.7 19.2 23.8 37.9 557 199 B Y - 0 0 31 -9,-1.9 -10,-0.1 -2,-0.4 -11,-0.1 -0.913 29.0 -97.9-128.4 153.3 18.0 24.0 34.3 558 200 B P - 0 0 12 0, 0.0 -265,-0.1 0, 0.0 -13,-0.1 -0.371 22.7-167.8 -65.6 144.9 17.4 26.8 31.7 559 201 B I > + 0 0 0 -34,-0.1 3,-2.1 3,-0.1 -33,-0.1 0.631 51.1 113.7-102.5 -23.0 13.8 28.1 31.3 560 202 B A T 3 S- 0 0 0 1,-0.3 3,-0.1 -20,-0.1 -17,-0.1 -0.281 99.2 -9.7 -56.9 126.1 14.4 30.1 28.1 561 203 B F T 3 S+ 0 0 6 -315,-0.4 -1,-0.3 1,-0.2 2,-0.3 0.835 121.7 108.6 52.3 36.3 12.4 28.6 25.2 562 204 B N < - 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