==== 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 17-DEC-10 3Q1L . COMPND 2 MOLECULE: ASPARTATE BETA-SEMIALDEHYDE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR A.G.PAVLOVSKY,R.E.VIOLA . 1429 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 51601.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 945 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 158 11.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 141 9.9 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 . 1 0.1 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 . 89 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 163 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 317 22.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 31 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 1 2 2 3 0 10 2 1 0 7 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 7 2 11 7 3 4 0 1 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 3 1 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 3 0 0 3 5 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 56 0, 0.0 27,-0.3 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0-172.2 17.7 2.7 -6.1 2 3 A Y E -a 28 0A 39 25,-2.6 27,-2.3 63,-0.0 28,-2.2 -0.551 360.0-125.3-106.0 158.3 14.8 5.2 -6.6 3 4 A T E -a 30 0A 22 26,-0.2 62,-2.6 60,-0.2 63,-1.8 -0.953 39.8-169.2 -92.3 122.4 14.0 8.5 -8.3 4 5 A V E -ab 31 66A 0 26,-2.8 28,-2.6 -2,-0.6 2,-0.5 -0.950 10.6-160.7-118.4 130.7 12.8 10.7 -5.4 5 6 A A E -ab 32 67A 0 61,-2.7 63,-3.1 -2,-0.4 2,-0.6 -0.930 7.2-155.2-109.9 135.4 11.1 14.1 -5.7 6 7 A V E -ab 33 68A 0 26,-2.4 28,-2.9 -2,-0.5 2,-0.6 -0.956 14.7-157.0-102.8 117.7 10.8 16.6 -3.0 7 8 A V E S+ab 34 69A 0 61,-2.9 63,-3.6 -2,-0.6 28,-0.2 -0.896 80.5 23.9-102.3 118.4 7.8 18.8 -3.7 8 9 A G S S+ 0 0 12 26,-3.0 3,-0.4 -2,-0.6 6,-0.3 0.827 77.1 161.7 89.1 46.8 8.0 22.2 -2.0 9 10 A A + 0 0 1 25,-1.9 9,-0.2 -3,-0.5 26,-0.1 0.754 59.1 60.9 -70.2 -28.0 11.8 22.0 -1.8 10 11 A T S S+ 0 0 51 24,-0.2 -1,-0.2 4,-0.1 25,-0.1 0.714 82.7 89.6 -81.2 -24.6 12.5 25.7 -1.2 11 12 A G S > S- 0 0 36 -3,-0.4 4,-1.6 59,-0.2 5,-0.1 -0.012 91.1-106.8 -65.0 174.2 10.6 26.4 2.1 12 13 A A H > S+ 0 0 58 2,-0.2 4,-1.0 1,-0.2 -1,-0.1 0.809 126.1 57.6 -63.0 -30.8 12.1 26.1 5.6 13 14 A V H > S+ 0 0 73 1,-0.2 4,-1.4 2,-0.2 3,-0.5 0.903 103.9 49.1 -66.1 -45.5 9.8 22.9 5.6 14 15 A G H > S+ 0 0 0 -6,-0.3 4,-3.2 1,-0.2 -1,-0.2 0.891 102.5 63.1 -59.8 -42.1 11.6 21.5 2.5 15 16 A A H X S+ 0 0 50 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.808 104.1 46.7 -54.7 -37.6 15.0 22.1 4.1 16 17 A Q H X S+ 0 0 53 -4,-1.0 4,-2.3 -3,-0.5 -1,-0.2 0.854 111.7 51.7 -72.0 -38.1 14.1 19.7 6.9 17 18 A M H X S+ 0 0 4 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.922 110.6 48.3 -59.7 -47.7 12.9 17.2 4.4 18 19 A I H X S+ 0 0 12 -4,-3.2 4,-3.0 2,-0.2 -2,-0.2 0.949 111.1 50.0 -58.9 -51.4 16.1 17.5 2.4 19 20 A K H X S+ 0 0 90 -4,-2.1 4,-1.1 1,-0.2 -1,-0.2 0.896 112.3 46.7 -56.1 -44.3 18.2 17.0 5.6 20 21 A M H < S+ 0 0 3 -4,-2.3 -1,-0.2 1,-0.2 4,-0.2 0.881 113.8 49.0 -67.3 -37.2 16.3 13.9 6.6 21 22 A L H >< S+ 0 0 2 -4,-2.4 3,-1.2 1,-0.2 -2,-0.2 0.890 106.2 56.9 -65.0 -42.4 16.6 12.5 3.1 22 23 A E H 3< S+ 0 0 59 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.791 112.5 41.4 -58.1 -30.4 20.3 13.2 3.0 23 24 A E T 3< S+ 0 0 92 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.353 94.9 116.5-101.1 2.6 20.8 11.1 6.1 24 25 A S < - 0 0 19 -3,-1.2 -3,-0.1 -4,-0.2 311,-0.0 -0.240 65.0-140.6 -71.9 158.0 18.4 8.4 5.0 25 26 A T + 0 0 45 2,-0.1 -1,-0.1 -2,-0.0 -4,-0.1 0.339 63.5 127.7 -93.0 -0.6 19.2 4.7 4.2 26 27 A L S S- 0 0 9 -5,-0.2 2,-0.7 1,-0.1 1032,-0.1 -0.391 70.5-118.6 -62.2 126.7 16.9 4.9 1.2 27 28 A P - 0 0 18 0, 0.0 -25,-2.6 0, 0.0 2,-0.5 -0.629 40.4-173.3 -71.1 113.3 18.6 3.8 -1.9 28 29 A I E +a 2 0A 42 -2,-0.7 -25,-0.2 -27,-0.3 3,-0.1 -0.951 25.4 167.6-116.2 118.5 18.5 6.9 -4.1 29 30 A D E S+ 0 0 125 -27,-2.3 2,-0.4 -2,-0.5 -26,-0.2 0.776 75.7 17.3 -91.6 -35.7 19.6 7.0 -7.7 30 31 A K E -a 3 0A 125 -28,-2.2 -26,-2.8 2,-0.0 2,-0.4 -0.997 61.0-160.8-144.6 135.2 18.1 10.3 -8.6 31 32 A I E -a 4 0A 15 -2,-0.4 2,-0.4 -28,-0.2 -26,-0.2 -0.929 10.0-171.6-111.4 137.2 16.9 13.3 -6.6 32 33 A R E -a 5 0A 32 -28,-2.6 -26,-2.4 -2,-0.4 2,-0.5 -0.996 11.2-149.1-128.1 138.8 14.6 15.9 -8.1 33 34 A Y E -ac 6 53A 0 19,-0.6 21,-3.3 -2,-0.4 2,-0.4 -0.933 15.3-172.7-109.6 123.8 13.5 19.3 -6.6 34 35 A L E +ac 7 54A 0 -28,-2.9 -26,-3.0 -2,-0.5 -25,-1.9 -0.931 19.2 132.8-119.0 137.5 10.1 20.7 -7.4 35 36 A A E - c 0 55A 5 19,-2.3 21,-2.5 -2,-0.4 5,-0.1 -0.871 53.3 -43.5-158.5-169.6 8.7 24.1 -6.4 36 37 A S >> - 0 0 53 -2,-0.2 3,-1.0 19,-0.2 4,-0.9 -0.123 56.9-103.2 -64.5 164.0 6.8 27.2 -7.7 37 38 A A T 34 S+ 0 0 61 1,-0.2 3,-0.2 2,-0.2 -1,-0.1 0.784 119.7 64.7 -57.0 -31.4 7.6 28.9 -11.1 38 39 A R T 34 S+ 0 0 197 1,-0.2 -1,-0.2 3,-0.0 4,-0.1 0.852 107.0 39.5 -57.4 -40.0 9.4 31.6 -9.0 39 40 A S T X4 S+ 0 0 9 -3,-1.0 3,-1.8 2,-0.1 14,-0.3 0.587 84.7 117.6 -93.3 -13.2 12.0 29.2 -7.8 40 41 A A T 3< S+ 0 0 42 -4,-0.9 14,-0.2 1,-0.2 3,-0.1 -0.369 76.2 29.0 -63.0 128.4 12.6 27.2 -11.0 41 42 A G T 3 S+ 0 0 59 12,-1.9 -1,-0.2 1,-0.4 13,-0.1 -0.115 95.7 112.7 110.4 -32.8 16.1 27.5 -12.3 42 43 A K < - 0 0 150 -3,-1.8 11,-2.0 10,-0.1 -1,-0.4 -0.004 64.6-118.6 -61.8 175.1 17.6 28.1 -8.8 43 44 A S E +G 52 0B 69 9,-0.2 2,-0.3 -3,-0.1 9,-0.2 -0.980 28.1 174.9-127.8 128.2 20.0 25.7 -7.1 44 45 A L E -G 51 0B 57 7,-2.5 7,-3.6 -2,-0.4 2,-0.2 -0.954 31.3-111.3-122.8 153.7 19.7 23.7 -3.9 45 46 A K E -G 50 0B 100 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.522 20.9-173.8 -78.4 143.0 22.0 21.1 -2.5 46 47 A F E > S-G 49 0B 9 3,-2.4 3,-2.1 -2,-0.2 2,-0.1 -0.907 72.8 -57.9-127.0 115.3 21.5 17.4 -2.1 47 48 A K T 3 S- 0 0 120 -2,-0.3 -1,-0.1 1,-0.3 -25,-0.0 -0.364 122.4 -15.4 46.0-117.4 24.6 16.1 -0.2 48 49 A D T 3 S+ 0 0 130 -2,-0.1 -1,-0.3 -3,-0.1 2,-0.2 0.649 120.9 87.6 -84.5 -14.6 27.5 17.1 -2.5 49 50 A Q E < S-G 46 0B 102 -3,-2.1 -3,-2.4 1,-0.0 2,-0.6 -0.603 72.7-125.9 -98.5 146.6 25.5 17.9 -5.7 50 51 A D E -G 45 0B 108 -2,-0.2 2,-0.6 -5,-0.2 -5,-0.2 -0.778 27.0-158.1 -84.0 118.5 23.8 21.0 -7.0 51 52 A I E -G 44 0B 20 -7,-3.6 -7,-2.5 -2,-0.6 2,-0.4 -0.888 9.9-138.2-104.1 120.6 20.1 20.3 -7.8 52 53 A T E -G 43 0B 84 -2,-0.6 -19,-0.6 -9,-0.2 2,-0.2 -0.627 24.5-124.2 -72.1 124.3 18.3 22.6 -10.2 53 54 A I E -c 33 0A 5 -11,-2.0 -12,-1.9 -2,-0.4 2,-0.3 -0.516 26.0-157.4 -71.4 134.2 14.7 23.3 -9.0 54 55 A E E -c 34 0A 75 -21,-3.3 -19,-2.3 -2,-0.2 2,-0.4 -0.792 24.9 -99.0-109.4 156.5 11.9 22.4 -11.5 55 56 A E E -c 35 0A 98 -2,-0.3 2,-0.5 -21,-0.2 -19,-0.2 -0.633 36.3-118.2 -77.1 128.5 8.4 23.8 -11.7 56 57 A T + 0 0 14 -21,-2.5 2,-0.3 -2,-0.4 -19,-0.1 -0.540 53.6 153.2 -63.2 114.9 5.7 21.6 -10.0 57 58 A T > - 0 0 32 -2,-0.5 3,-0.8 22,-0.1 4,-0.2 -0.837 60.1 -97.2-137.5 177.1 3.4 20.6 -12.9 58 59 A E T 3 S+ 0 0 104 -2,-0.3 3,-0.2 1,-0.2 -2,-0.1 0.709 124.8 40.1 -67.0 -24.1 0.9 17.9 -13.9 59 60 A T T > S+ 0 0 108 1,-0.1 3,-0.8 2,-0.1 -1,-0.2 0.319 87.8 94.9-109.8 5.5 3.6 16.2 -16.1 60 61 A A T < S+ 0 0 10 -3,-0.8 -1,-0.1 1,-0.2 -2,-0.1 0.527 71.7 69.8 -76.2 -4.7 6.6 16.7 -13.8 61 62 A F T > + 0 0 0 -3,-0.2 3,-1.8 -4,-0.2 -1,-0.2 0.298 60.2 134.1-103.2 11.5 6.3 13.3 -12.2 62 63 A E T < S+ 0 0 132 -3,-0.8 3,-0.1 1,-0.3 25,-0.1 -0.395 80.5 7.7 -66.9 131.5 7.4 10.9 -15.0 63 64 A G T 3 S+ 0 0 56 23,-0.4 2,-0.3 1,-0.3 -1,-0.3 0.443 95.4 136.0 78.3 0.3 9.9 8.3 -13.9 64 65 A V < - 0 0 5 -3,-1.8 -1,-0.3 1,-0.2 -60,-0.2 -0.616 32.5-176.8 -80.3 136.4 9.5 9.3 -10.2 65 66 A D S S+ 0 0 57 -62,-2.6 24,-2.8 1,-0.3 2,-0.4 0.840 72.0 19.5 -95.3 -43.9 9.1 6.4 -7.7 66 67 A I E -bd 4 89A 0 -63,-1.8 -61,-2.7 22,-0.2 2,-0.5 -0.993 61.7-169.1-134.2 128.5 8.6 8.4 -4.5 67 68 A A E -bd 5 90A 0 22,-2.1 24,-2.6 -2,-0.4 2,-0.6 -0.983 6.4-160.6-119.4 124.8 7.5 11.9 -4.0 68 69 A L E -bd 6 91A 0 -63,-3.1 -61,-2.9 -2,-0.5 2,-0.4 -0.922 13.8-152.4-100.1 113.9 7.7 13.6 -0.6 69 70 A F E +b 7 0A 0 22,-2.2 24,-0.4 -2,-0.6 -61,-0.2 -0.712 24.3 166.3 -87.0 134.1 5.4 16.6 -0.5 70 71 A S + 0 0 3 -63,-3.6 -56,-0.2 -2,-0.4 -59,-0.2 -0.200 50.3 81.0-140.1 44.7 6.4 19.5 1.9 71 72 A A S S- 0 0 34 1,-0.2 2,-0.1 -58,-0.1 -63,-0.1 -0.183 83.1 -60.7-120.0-143.7 4.2 22.3 0.8 72 73 A G > - 0 0 36 -2,-0.1 4,-1.7 22,-0.1 3,-0.2 -0.431 50.5 -89.0-105.8-179.4 0.6 23.2 1.5 73 74 A S H > S+ 0 0 50 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.813 119.5 54.5 -55.1 -41.9 -2.8 21.7 1.0 74 75 A S H > S+ 0 0 69 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.892 107.2 50.4 -68.9 -39.3 -3.5 23.2 -2.4 75 76 A T H > S+ 0 0 35 -3,-0.2 4,-2.7 2,-0.2 5,-0.4 0.909 114.2 45.4 -60.8 -45.1 -0.3 21.8 -3.9 76 77 A S H X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.911 112.1 50.3 -63.6 -47.5 -1.1 18.3 -2.5 77 78 A A H < S+ 0 0 10 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.871 119.3 37.9 -60.4 -40.6 -4.7 18.4 -3.7 78 79 A K H < S+ 0 0 101 -4,-2.2 279,-0.4 -5,-0.2 4,-0.4 0.925 127.8 27.1 -76.3 -47.2 -3.7 19.5 -7.2 79 80 A Y H X S+ 0 0 48 -4,-2.7 4,-2.1 -5,-0.2 -3,-0.2 0.740 101.9 72.4-101.1 -24.9 -0.6 17.5 -7.8 80 81 A A H X S+ 0 0 0 -4,-1.9 4,-2.5 -5,-0.4 5,-0.2 0.930 98.4 51.2 -57.3 -48.6 -0.7 14.3 -5.7 81 82 A P H > S+ 0 0 2 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.838 110.5 49.9 -61.5 -32.1 -3.4 12.7 -7.9 82 83 A Y H > S+ 0 0 43 -4,-0.4 4,-2.0 2,-0.2 -2,-0.2 0.871 108.8 52.3 -67.9 -37.4 -1.2 13.4 -11.0 83 84 A A H <>S+ 0 0 0 -4,-2.1 5,-2.5 2,-0.2 4,-0.4 0.927 110.2 48.0 -62.8 -45.0 1.8 11.9 -9.3 84 85 A V H ><5S+ 0 0 3 -4,-2.5 3,-1.4 1,-0.2 265,-0.4 0.898 108.7 54.4 -60.4 -42.4 -0.2 8.7 -8.5 85 86 A K H 3<5S+ 0 0 134 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.887 105.5 54.0 -57.8 -39.9 -1.4 8.7 -12.2 86 87 A A T 3<5S- 0 0 28 -4,-2.0 -23,-0.4 -5,-0.1 -1,-0.3 0.520 127.3 -99.8 -72.8 -7.8 2.3 8.8 -13.2 87 88 A G T < 5S+ 0 0 16 -3,-1.4 -3,-0.2 -4,-0.4 -2,-0.1 0.531 75.7 142.8 100.9 8.2 3.0 5.7 -11.1 88 89 A V < - 0 0 0 -5,-2.5 2,-0.5 -6,-0.2 -1,-0.3 -0.456 49.8-133.7 -77.7 149.9 4.5 7.5 -8.1 89 90 A V E -d 66 0A 0 -24,-2.8 -22,-2.1 -2,-0.1 2,-0.5 -0.947 30.5-148.6 -95.9 125.5 4.0 6.5 -4.4 90 91 A V E -de 67 121A 0 30,-3.9 32,-3.4 -2,-0.5 2,-0.6 -0.828 19.5-167.9-105.6 131.1 3.2 9.8 -2.5 91 92 A V E -de 68 122A 0 -24,-2.6 -22,-2.2 -2,-0.5 2,-0.4 -0.954 21.6-159.2-109.4 107.0 4.0 10.6 1.1 92 93 A D E - e 0 123A 0 30,-2.5 32,-3.1 -2,-0.6 -22,-0.1 -0.752 17.9-165.6 -95.7 136.8 1.9 13.7 1.9 93 94 A N + 0 0 31 -2,-0.4 -1,-0.1 -24,-0.4 -23,-0.1 0.665 63.2 83.1 -88.1 -20.3 2.8 16.1 4.7 94 95 A T S S- 0 0 12 -22,-0.1 3,-0.4 1,-0.1 4,-0.2 -0.241 83.9-116.1 -89.1 170.4 -0.5 18.0 4.9 95 96 A S S > S+ 0 0 51 1,-0.2 3,-0.9 2,-0.1 4,-0.5 0.579 89.9 97.8 -73.8 -10.0 -3.9 17.4 6.5 96 97 A Y T 3 S+ 0 0 107 1,-0.3 3,-0.2 2,-0.1 -1,-0.2 0.833 93.2 23.1 -55.2 -45.2 -5.5 17.2 3.0 97 98 A F T > S+ 0 0 11 -3,-0.4 3,-1.4 1,-0.1 -1,-0.3 0.403 94.1 103.7-102.3 2.2 -5.7 13.4 2.5 98 99 A R T < S+ 0 0 16 -3,-0.9 -1,-0.1 1,-0.3 -2,-0.1 0.811 84.3 39.0 -59.9 -40.0 -5.5 12.3 6.1 99 100 A Q T 3 S+ 0 0 90 -4,-0.5 -1,-0.3 -3,-0.2 -2,-0.1 0.296 85.8 117.6 -97.1 9.5 -9.2 11.4 6.7 100 101 A N X - 0 0 45 -3,-1.4 3,-2.2 1,-0.1 -3,-0.0 -0.672 63.2-142.2 -76.4 122.9 -9.6 9.8 3.2 101 102 A P T 3 S+ 0 0 122 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.648 101.2 57.1 -65.7 -16.5 -10.5 6.1 3.7 102 103 A D T 3 S+ 0 0 53 251,-0.1 17,-0.6 -5,-0.1 19,-0.3 0.495 97.6 80.0 -84.9 -6.9 -8.3 5.1 0.7 103 104 A V S < S- 0 0 2 -3,-2.2 2,-0.2 -6,-0.2 19,-0.2 -0.903 75.9-138.5-111.3 117.0 -5.4 6.8 2.4 104 105 A P - 0 0 14 0, 0.0 19,-2.9 0, 0.0 2,-0.6 -0.508 11.2-151.7 -64.0 136.4 -3.3 5.2 5.1 105 106 A L B -f 123 0A 2 17,-0.2 2,-0.4 -2,-0.2 19,-0.2 -0.964 31.3-167.2-114.6 109.0 -2.4 7.6 8.0 106 107 A V + 0 0 0 17,-1.8 230,-0.1 -2,-0.6 6,-0.1 -0.864 45.5 174.8-126.0 132.3 0.8 6.3 9.3 107 108 A V >> - 0 0 0 -2,-0.4 3,-3.2 123,-0.1 4,-1.9 -0.976 37.1-141.4-114.3 110.6 3.4 6.4 12.1 108 109 A P H 3> S+ 0 0 13 0, 0.0 4,-0.7 0, 0.0 5,-0.1 0.713 97.2 52.0 -53.2 -27.5 5.7 3.6 11.1 109 110 A E H 34 S+ 0 0 34 2,-0.1 -3,-0.0 1,-0.1 168,-0.0 0.638 120.3 35.0 -78.4 -14.2 6.3 2.3 14.7 110 111 A V H <4 S+ 0 0 17 -3,-3.2 3,-0.1 27,-0.0 -1,-0.1 0.859 134.1 6.1-108.0 -53.9 2.6 2.1 15.3 111 112 A N H >< + 0 0 3 -4,-1.9 3,-1.9 1,-0.1 4,-0.4 -0.195 66.1 141.4-133.1 45.3 0.6 1.1 12.2 112 113 A A G >< S+ 0 0 14 -4,-0.7 3,-1.5 1,-0.3 4,-0.4 0.799 71.5 70.4 -53.1 -27.7 3.1 0.2 9.4 113 114 A H G > S+ 0 0 92 1,-0.3 3,-1.2 2,-0.2 4,-0.3 0.808 85.2 66.5 -62.4 -29.1 0.7 -2.6 8.5 114 115 A A G X S+ 0 0 21 -3,-1.9 3,-0.8 1,-0.2 -1,-0.3 0.729 89.0 68.3 -61.7 -23.5 -1.7 0.0 7.2 115 116 A L G X S+ 0 0 0 -3,-1.5 3,-1.9 -4,-0.4 -1,-0.2 0.794 80.7 77.7 -64.0 -31.1 0.8 0.7 4.4 116 117 A D G < S+ 0 0 75 -3,-1.2 -1,-0.2 -4,-0.4 -2,-0.1 0.754 98.8 39.4 -52.3 -34.4 0.2 -2.7 2.8 117 118 A A G < S+ 0 0 77 -3,-0.8 -1,-0.3 -4,-0.3 -2,-0.1 0.047 83.4 146.1-109.5 23.7 -3.1 -1.6 1.1 118 119 A H < - 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