==== 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 OXIDOREDUCTASE 11-JUN-04 1VKN . COMPND 2 MOLECULE: N-ACETYL-GAMMA-GLUTAMYL-PHOSPHATE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 1351 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44640.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 974 72.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 168 12.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 121 9.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 118 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 165 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 311 23.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 25 1.9 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 1 6 8 1 0 6 6 4 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 12 8 0 4 0 0 4 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 . 6 4 0 0 0 3 5 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 . 0 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 0 A H 0 0 150 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 130.7 49.3 -3.4 46.9 2 1 A X - 0 0 56 1,-0.1 26,-0.3 26,-0.1 2,-0.3 -0.646 360.0-112.4 -83.8 135.5 47.8 -1.6 43.9 3 2 A I E -a 28 0A 12 24,-2.8 26,-2.8 -2,-0.3 2,-0.7 -0.548 31.2-131.1 -61.5 132.1 44.4 -2.9 42.6 4 3 A R E -a 29 0A 77 -2,-0.3 65,-2.7 24,-0.2 66,-1.7 -0.786 30.3-166.7 -93.5 109.4 45.1 -4.4 39.2 5 4 A A E -ab 30 70A 0 24,-3.1 26,-2.5 -2,-0.7 27,-1.2 -0.861 11.9-169.0-108.5 137.2 42.5 -3.0 36.8 6 5 A G E -ab 32 71A 0 64,-2.3 66,-2.7 -2,-0.4 2,-0.4 -0.848 6.2-156.8-116.4 153.3 41.5 -4.1 33.3 7 6 A I E -ab 33 72A 1 25,-2.4 27,-2.1 -2,-0.3 2,-0.6 -0.971 1.1-161.0-131.9 118.0 39.3 -2.3 30.7 8 7 A I E S+ab 34 73A 4 64,-2.9 66,-3.0 -2,-0.4 27,-0.1 -0.885 85.5 23.8 -96.4 124.9 37.5 -4.1 27.9 9 8 A G S > S+ 0 0 15 25,-1.5 3,-1.0 -2,-0.6 6,-0.3 0.851 75.6 168.6 83.1 51.5 36.5 -1.6 25.2 10 9 A A T 3 + 0 0 0 24,-2.2 9,-0.2 -3,-0.4 25,-0.1 0.586 61.8 64.1 -75.8 -12.5 39.2 0.9 26.1 11 10 A T T 3 S+ 0 0 25 23,-0.3 -1,-0.2 4,-0.1 2,-0.2 0.406 80.2 91.9 -99.9 5.3 38.9 3.1 23.0 12 11 A G S <> S- 0 0 34 -3,-1.0 4,-2.6 62,-0.1 5,-0.2 -0.496 94.6-100.3 -84.4 166.6 35.3 4.4 23.6 13 12 A Y H > S+ 0 0 51 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.892 124.3 50.9 -60.3 -39.1 34.9 7.6 25.5 14 13 A T H > S+ 0 0 38 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.905 110.4 51.1 -68.7 -31.4 34.0 5.9 28.7 15 14 A G H > S+ 0 0 0 -6,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.930 107.7 52.1 -65.0 -42.9 37.1 3.7 28.3 16 15 A L H X S+ 0 0 8 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.905 109.1 49.8 -60.4 -41.8 39.3 6.8 27.8 17 16 A E H X S+ 0 0 1 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.920 108.4 52.6 -68.3 -35.4 37.9 8.4 31.0 18 17 A L H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 5,-0.3 0.928 108.4 52.0 -62.7 -38.4 38.6 5.2 32.9 19 18 A V H X S+ 0 0 2 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.947 110.8 46.9 -58.7 -49.1 42.1 5.4 31.6 20 19 A R H X S+ 0 0 27 -4,-2.2 4,-1.6 2,-0.2 995,-0.2 0.947 117.0 43.4 -54.2 -52.0 42.5 9.0 32.8 21 20 A L H X S+ 0 0 1 -4,-2.6 4,-1.2 1,-0.2 -2,-0.2 0.903 115.1 47.4 -65.3 -44.7 41.0 8.2 36.2 22 21 A L H < S+ 0 0 0 -4,-2.9 6,-0.3 -5,-0.2 -1,-0.2 0.862 106.5 56.9 -72.1 -35.3 42.9 5.0 36.8 23 22 A K H < S+ 0 0 85 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.922 114.3 40.5 -56.3 -40.5 46.3 6.5 35.8 24 23 A N H < S+ 0 0 63 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.714 89.6 108.3 -82.0 -17.0 45.8 9.1 38.5 25 24 A H >< - 0 0 6 -4,-1.2 3,-0.9 1,-0.2 306,-0.1 -0.380 61.7-149.5 -69.7 125.7 44.4 6.8 41.1 26 25 A P T 3 S+ 0 0 78 0, 0.0 -1,-0.2 0, 0.0 -4,-0.1 0.620 90.7 41.5 -75.4 -10.8 46.9 6.3 43.8 27 26 A E T 3 S+ 0 0 68 -25,-0.1 -24,-2.8 -5,-0.0 2,-0.3 0.114 108.9 56.6-123.4 20.6 45.9 2.7 44.7 28 27 A A E < -a 3 0A 7 -3,-0.9 2,-0.3 -26,-0.3 -24,-0.2 -0.982 55.4-166.5-145.4 154.6 45.2 1.1 41.3 29 28 A K E -a 4 0A 115 -26,-2.8 -24,-3.1 -2,-0.3 2,-0.6 -0.992 29.2-109.7-141.8 153.2 47.0 0.5 38.1 30 29 A I E +a 5 0A 31 -2,-0.3 -24,-0.2 -26,-0.2 3,-0.1 -0.679 38.5 162.2 -79.4 119.9 46.0 -0.5 34.6 31 30 A T E + 0 0 45 -26,-2.5 2,-0.3 -2,-0.6 -25,-0.2 0.449 64.5 30.7-112.9 -7.7 47.2 -4.1 33.8 32 31 A Y E +a 6 0A 12 -27,-1.2 -25,-2.4 2,-0.0 2,-0.4 -0.934 52.2 173.3-157.3 133.8 45.0 -4.8 30.8 33 32 A L E -a 7 0A 3 22,-0.4 24,-3.1 -2,-0.3 2,-0.3 -0.999 12.4-172.9-135.5 137.2 43.3 -3.0 27.9 34 33 A S E +ac 8 57A 5 -27,-2.1 -24,-2.2 -2,-0.4 -25,-1.5 -0.950 12.8 165.3-131.3 155.3 41.5 -4.5 25.0 35 34 A S - 0 0 10 22,-1.8 4,-0.5 -2,-0.3 -2,-0.0 -0.918 23.9-153.5-156.7 139.2 39.9 -3.3 21.8 36 35 A R S > S+ 0 0 220 -2,-0.3 3,-0.7 2,-0.2 -1,-0.1 0.966 98.8 42.9 -78.9 -51.6 38.8 -5.4 18.8 37 36 A T T 3 S+ 0 0 93 1,-0.2 -1,-0.1 0, 0.0 -2,-0.0 0.913 126.7 31.0 -54.5 -48.0 39.2 -2.6 16.2 38 37 A Y T > S+ 0 0 85 19,-0.1 3,-2.5 2,-0.1 18,-0.4 0.190 77.9 146.3-106.6 16.8 42.6 -1.4 17.5 39 38 A A T < + 0 0 40 -3,-0.7 18,-0.2 -4,-0.5 3,-0.1 -0.272 69.8 31.7 -51.6 134.9 44.2 -4.5 18.9 40 39 A G T 3 S+ 0 0 51 16,-2.8 2,-0.3 1,-0.4 -1,-0.3 0.116 99.3 101.0 102.2 -22.1 47.9 -4.3 18.5 41 40 A K S < S- 0 0 103 -3,-2.5 15,-3.3 14,-0.1 -1,-0.4 -0.682 77.7-111.0 -97.0 154.3 48.2 -0.6 18.7 42 41 A K B >> -G 55 0B 61 -2,-0.3 3,-1.6 13,-0.3 4,-0.9 -0.560 30.6-123.1 -72.7 141.1 49.3 1.5 21.6 43 42 A L H >> S+ 0 0 0 11,-2.3 4,-2.8 1,-0.3 3,-1.2 0.914 111.8 58.4 -55.7 -42.6 46.3 3.4 23.0 44 43 A E H 34 S+ 0 0 52 8,-2.2 -1,-0.3 1,-0.3 9,-0.1 0.668 96.4 63.0 -66.1 -12.2 48.2 6.8 22.5 45 44 A E H <4 S+ 0 0 107 -3,-1.6 -1,-0.3 7,-0.2 -2,-0.2 0.828 113.4 34.4 -73.7 -29.6 48.5 5.9 18.7 46 45 A I H << S+ 0 0 37 -3,-1.2 -2,-0.2 -4,-0.9 -3,-0.1 0.851 139.6 17.3 -87.9 -41.9 44.7 6.0 18.5 47 46 A F >< - 0 0 25 -4,-2.8 3,-2.2 -5,-0.2 4,-0.4 -0.800 64.5-174.3-133.5 88.0 44.2 8.8 21.0 48 47 A P G > S+ 0 0 18 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.829 80.9 71.7 -58.9 -22.2 47.4 10.8 21.7 49 48 A S G 3 S+ 0 0 2 1,-0.3 -5,-0.1 2,-0.1 916,-0.1 0.682 86.4 65.8 -64.8 -21.1 45.6 12.7 24.5 50 49 A T G < S- 0 0 9 -3,-2.2 -1,-0.3 -7,-0.1 3,-0.1 0.747 85.5-152.7 -71.7 -26.6 45.6 9.6 26.7 51 50 A L < + 0 0 27 -3,-1.7 2,-0.6 -4,-0.4 -2,-0.1 0.820 46.4 142.5 50.7 35.1 49.4 9.6 27.0 52 51 A E - 0 0 13 -5,-0.4 -8,-2.2 1,-0.1 -7,-0.2 -0.911 35.5-174.6-111.4 113.0 49.0 5.8 27.5 53 52 A N + 0 0 110 -2,-0.6 -1,-0.1 -10,-0.2 2,-0.1 0.500 44.4 122.5 -88.3 -1.4 51.8 3.7 25.8 54 53 A S - 0 0 39 -12,-0.1 -11,-2.3 1,-0.1 -10,-0.2 -0.356 65.7-118.4 -59.9 136.7 50.1 0.3 26.7 55 54 A I B -G 42 0B 96 -13,-0.2 2,-0.4 -12,-0.1 -22,-0.4 -0.486 26.9-115.1 -75.0 136.4 49.4 -2.0 23.7 56 55 A L - 0 0 3 -15,-3.3 -16,-2.8 -18,-0.4 -22,-0.2 -0.648 34.6-142.1 -72.5 127.5 45.7 -2.8 23.1 57 56 A S B -c 34 0A 41 -24,-3.1 -22,-1.8 -2,-0.4 2,-0.6 -0.538 13.9-119.4 -89.7 155.8 45.1 -6.6 23.7 58 57 A E - 0 0 160 -24,-0.2 -22,-0.1 -2,-0.2 -24,-0.0 -0.898 56.1 -95.1 -87.6 120.2 42.8 -8.9 21.7 59 58 A F + 0 0 67 -2,-0.6 -1,-0.1 1,-0.1 -25,-0.0 -0.074 52.9 169.8 -46.0 128.7 40.5 -10.1 24.6 60 59 A D > - 0 0 44 1,-0.1 4,-1.9 0, 0.0 3,-0.4 -0.941 25.9-151.1-141.2 112.8 41.6 -13.4 26.2 61 60 A P H > S+ 0 0 42 0, 0.0 4,-2.2 0, 0.0 27,-0.3 0.767 94.9 54.7 -60.2 -33.9 39.8 -14.4 29.4 62 61 A E H > S+ 0 0 155 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.891 108.3 50.0 -65.4 -39.5 42.7 -16.4 30.8 63 62 A K H > S+ 0 0 98 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.907 111.7 48.1 -63.4 -42.2 45.0 -13.4 30.5 64 63 A V H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.957 111.3 49.9 -60.8 -49.3 42.4 -11.2 32.2 65 64 A S H < S+ 0 0 31 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.870 115.4 44.2 -60.5 -35.0 41.9 -13.7 35.1 66 65 A K H < S+ 0 0 142 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.836 123.2 33.8 -77.6 -30.8 45.7 -13.9 35.5 67 66 A N H < S+ 0 0 57 -4,-2.0 2,-0.4 -5,-0.1 -2,-0.2 0.463 107.6 65.7-107.9 -5.5 46.4 -10.1 35.3 68 67 A C < - 0 0 1 -4,-2.0 -63,-0.2 -5,-0.1 3,-0.1 -0.975 38.3-175.2-133.6 140.5 43.4 -8.4 36.9 69 68 A D S S+ 0 0 47 -65,-2.7 22,-2.4 -2,-0.4 2,-0.3 0.667 90.2 17.6 -90.9 -26.7 41.6 -8.0 40.2 70 69 A V E -bd 5 91A 0 -66,-1.7 -64,-2.3 20,-0.2 2,-0.4 -0.989 68.3-156.1-148.1 146.9 38.8 -6.0 38.7 71 70 A L E -bd 6 92A 0 20,-2.3 22,-2.6 -2,-0.3 2,-0.5 -0.994 4.0-155.4-135.0 128.1 37.5 -5.5 35.2 72 71 A F E -bd 7 93A 0 -66,-2.7 -64,-2.9 -2,-0.4 2,-0.5 -0.878 15.9-158.3 -98.6 130.9 35.5 -2.6 33.7 73 72 A T E +bd 8 94A 0 20,-1.7 22,-3.0 -2,-0.5 23,-0.6 -0.963 19.4 174.0-115.3 124.8 33.5 -3.6 30.6 74 73 A A + 0 0 23 -66,-3.0 -62,-0.1 -2,-0.5 -59,-0.1 -0.814 36.3 129.3-125.9 92.3 32.3 -1.1 28.0 75 74 A L - 0 0 50 -2,-0.4 3,-0.1 1,-0.1 5,-0.1 -0.821 63.2 -69.4-141.3 163.3 30.8 -3.2 25.3 76 75 A P S >> S- 0 0 100 0, 0.0 3,-2.0 0, 0.0 4,-0.6 -0.267 75.6 -72.4 -57.5 149.8 27.6 -3.5 23.2 77 76 A A T 34 S+ 0 0 64 1,-0.2 0, 0.0 2,-0.1 0, 0.0 -0.131 120.4 14.7 -48.1 134.9 24.6 -4.6 25.1 78 77 A G T 3> S+ 0 0 4 -3,-0.1 4,-1.5 35,-0.1 -1,-0.2 0.029 100.1 95.4 88.9 -26.9 24.8 -8.3 26.1 79 78 A A H <> S+ 0 0 33 -3,-2.0 4,-2.3 1,-0.2 5,-0.2 0.866 82.1 51.6 -64.9 -40.8 28.5 -8.8 25.4 80 79 A S H X S+ 0 0 1 -4,-0.6 4,-2.5 2,-0.2 5,-0.2 0.930 105.8 56.1 -63.6 -41.2 29.6 -8.2 28.9 81 80 A Y H > S+ 0 0 3 1,-0.2 4,-0.9 2,-0.2 -2,-0.2 0.936 112.5 42.1 -53.8 -47.0 27.2 -10.8 30.2 82 81 A D H < S+ 0 0 70 -4,-1.5 4,-0.5 1,-0.2 3,-0.4 0.908 115.3 47.2 -66.2 -46.4 28.6 -13.4 27.9 83 82 A L H >< S+ 0 0 25 -4,-2.3 3,-0.9 1,-0.2 4,-0.3 0.851 104.4 62.0 -72.4 -28.3 32.3 -12.6 28.4 84 83 A V H >< S+ 0 0 20 -4,-2.5 3,-1.8 1,-0.2 -1,-0.2 0.829 88.4 70.3 -68.0 -34.4 32.0 -12.5 32.2 85 84 A R T 3< S+ 0 0 133 -4,-0.9 -1,-0.2 -3,-0.4 -2,-0.2 0.806 97.2 52.3 -49.4 -36.6 31.0 -16.1 32.5 86 85 A E T < S+ 0 0 49 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.542 89.1 100.4 -80.3 -9.9 34.5 -17.3 31.6 87 86 A L < - 0 0 22 -3,-1.8 2,-0.4 -4,-0.3 -25,-0.1 -0.483 55.8-153.1 -85.9 152.7 36.4 -15.2 34.1 88 87 A K - 0 0 153 -27,-0.3 3,-0.1 -2,-0.1 -2,-0.0 -0.988 69.9 -9.3-127.1 125.7 37.8 -16.5 37.4 89 88 A G S S+ 0 0 76 -2,-0.4 2,-0.4 1,-0.2 -1,-0.1 0.792 94.6 124.9 66.1 32.3 38.5 -14.5 40.6 90 89 A V - 0 0 10 -3,-0.0 -20,-0.2 -19,-0.0 2,-0.2 -0.993 56.6-135.1-123.2 125.6 37.9 -11.0 38.9 91 90 A K E -d 70 0A 44 -22,-2.4 -20,-2.3 -2,-0.4 2,-0.4 -0.568 26.1-141.3 -74.6 144.9 35.3 -8.5 40.2 92 91 A I E -de 71 140A 4 47,-2.4 49,-2.8 -22,-0.2 2,-0.5 -0.939 22.8-177.5-118.1 129.3 33.3 -7.0 37.4 93 92 A I E -de 72 141A 0 -22,-2.6 -20,-1.7 -2,-0.4 2,-0.5 -0.946 18.3-164.0-121.8 103.6 32.1 -3.4 36.9 94 93 A D E -de 73 142A 2 47,-2.6 49,-2.7 -2,-0.5 -20,-0.2 -0.806 14.3-163.6 -97.0 127.3 30.0 -3.3 33.8 95 94 A L S S+ 0 0 18 -22,-3.0 -21,-0.2 -2,-0.5 -1,-0.1 0.664 72.4 68.2 -85.5 -17.3 29.3 0.1 32.3 96 95 A G S S- 0 0 17 -23,-0.6 3,-0.3 -20,-0.1 47,-0.2 0.004 101.3 -92.2 -81.8-161.5 26.4 -1.1 30.1 97 96 A A S >> S+ 0 0 5 1,-0.2 3,-1.5 2,-0.1 4,-0.6 0.415 88.0 106.8 -98.4 1.5 23.0 -2.4 31.2 98 97 A D T 34 S+ 0 0 2 1,-0.3 -1,-0.2 2,-0.1 44,-0.1 0.720 95.1 22.6 -57.8 -33.0 23.7 -6.2 31.5 99 98 A F T 34 S+ 0 0 0 -3,-0.3 43,-0.5 -5,-0.1 -1,-0.3 0.114 98.1 94.7-120.7 15.0 23.7 -6.3 35.3 100 99 A R T <4 + 0 0 16 -3,-1.5 2,-0.3 41,-0.1 -2,-0.1 0.844 68.5 80.8 -77.1 -32.8 21.6 -3.2 36.2 101 100 A F < - 0 0 0 -4,-0.6 22,-0.1 1,-0.1 109,-0.1 -0.580 59.3-156.7 -90.1 134.7 18.2 -4.9 36.5 102 101 A D S S+ 0 0 66 -2,-0.3 -1,-0.1 1,-0.2 21,-0.1 0.892 93.1 48.6 -65.4 -41.3 16.9 -6.7 39.5 103 102 A D S >> S- 0 0 88 1,-0.1 3,-1.3 2,-0.0 4,-1.2 -0.917 72.0-158.0-106.1 111.1 14.5 -8.6 37.3 104 103 A P H 3> S+ 0 0 42 0, 0.0 4,-2.1 0, 0.0 11,-0.2 0.692 90.5 68.1 -64.4 -19.1 16.2 -10.1 34.2 105 104 A G H 3> S+ 0 0 39 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.821 98.9 50.0 -66.4 -33.3 12.7 -10.3 32.5 106 105 A V H <> S+ 0 0 40 -3,-1.3 4,-2.5 2,-0.2 5,-0.3 0.942 109.4 50.4 -71.7 -45.0 12.7 -6.4 32.4 107 106 A Y H X>S+ 0 0 1 -4,-1.2 4,-3.5 1,-0.2 5,-0.5 0.941 111.8 50.0 -53.3 -46.6 16.2 -6.3 30.8 108 107 A R H X5S+ 0 0 128 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.924 108.4 50.7 -63.0 -45.2 15.0 -8.8 28.3 109 108 A E H <5S+ 0 0 146 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.914 122.5 32.5 -55.1 -42.7 11.9 -6.8 27.4 110 109 A W H <5S+ 0 0 75 -4,-2.5 -2,-0.2 1,-0.1 -1,-0.2 0.804 131.0 29.1 -92.4 -27.4 14.0 -3.7 26.9 111 110 A Y H <5S- 0 0 41 -4,-3.5 -3,-0.2 -5,-0.3 -2,-0.2 0.514 96.4-126.9-112.6 -10.4 17.3 -5.0 25.5 112 111 A G << + 0 0 68 -4,-1.9 2,-0.3 -5,-0.5 -4,-0.2 0.843 69.3 104.8 72.3 37.3 16.2 -8.2 23.7 113 112 A K - 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0 0 22 -4,-2.8 3,-2.1 5,-0.2 5,-0.4 -0.863 64.4-171.7-131.3 91.3 27.7 45.6 12.1 1067 47 D P G > S+ 0 0 20 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.810 81.7 70.7 -55.9 -29.3 29.6 45.2 8.8 1068 48 D S G 3 S+ 0 0 2 1,-0.2 -5,-0.1 2,-0.1 -388,-0.0 0.651 85.1 68.3 -59.9 -20.8 27.4 42.2 7.9 1069 49 D T G < S- 0 0 8 -3,-2.1 -1,-0.2 -7,-0.1 3,-0.1 0.749 87.0-148.2 -71.3 -25.8 24.3 44.5 7.4 1070 50 D L < + 0 0 34 -3,-1.4 2,-0.6 -4,-0.3 -2,-0.1 0.758 50.5 140.7 59.9 28.2 25.8 46.0 4.3 1071 51 D E - 0 0 17 -5,-0.4 -8,-2.2 1,-0.1 -7,-0.2 -0.878 34.2-179.9-111.8 110.2 23.9 49.2 5.4 1072 52 D N + 0 0 106 -2,-0.6 -1,-0.1 -10,-0.2 -2,-0.0 0.509 42.9 122.8 -87.6 -3.2 25.6 52.5 4.9 1073 53 D S - 0 0 48 -12,-0.1 -11,-2.4 1,-0.1 2,-0.3 -0.283 66.2-118.5 -57.8 139.4 22.7 54.6 6.3 1074 54 D I B -V 1061 0M 97 -13,-0.2 2,-0.4 -12,-0.1 -13,-0.3 -0.628 28.9-115.0 -77.6 137.9 23.6 56.8 9.3 1075 55 D L - 0 0 2 -15,-2.6 -16,-2.9 -18,-0.3 -22,-0.2 -0.614 34.0-134.1 -77.0 129.2 21.7 55.9 12.5 1076 56 D S B -r 1053 0L 40 -24,-3.6 -22,-1.8 -2,-0.4 2,-0.6 -0.303 9.7-120.4 -79.4 160.9 19.3 58.8 13.6 1077 57 D E - 0 0 141 -24,-0.2 -22,-0.1 -19,-0.1 -1,-0.0 -0.949 56.8 -93.4 -96.3 120.6 18.8 60.3 17.0 1078 58 D F + 0 0 63 -2,-0.6 -25,-0.0 -24,-0.1 -51,-0.0 -0.075 53.5 172.3 -50.1 122.7 15.1 59.6 17.5 1079 59 D D > - 0 0 49 1,-0.1 4,-1.9 2,-0.0 3,-0.4 -0.949 22.2-157.8-133.3 110.2 13.0 62.6 16.3 1080 60 D P H > S+ 0 0 36 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.675 92.2 58.5 -68.9 -18.0 9.2 62.0 16.3 1081 61 D E H > S+ 0 0 134 2,-0.2 4,-2.5 3,-0.2 5,-0.1 0.906 107.9 45.4 -72.0 -45.4 8.6 64.7 13.7 1082 62 D K H > S+ 0 0 116 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.846 114.4 50.0 -66.0 -35.9 10.9 63.1 11.2 1083 63 D V H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.966 110.5 47.7 -64.1 -53.9 9.2 59.7 12.0 1084 64 D S H < S+ 0 0 49 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.889 116.2 47.7 -54.4 -41.7 5.7 61.2 11.5 1085 65 D K H < S+ 0 0 156 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.920 120.8 32.2 -58.3 -47.9 7.0 62.7 8.3 1086 66 D N H < S+ 0 0 63 -4,-2.2 2,-0.4 -5,-0.1 -2,-0.2 0.453 103.7 63.4-106.0 -4.9 8.7 59.6 6.8 1087 67 D C < - 0 0 3 -4,-1.8 -63,-0.2 1,-0.1 3,-0.1 -0.946 39.3-168.2-132.5 142.8 7.0 56.4 7.8 1088 68 D D S S+ 0 0 52 -65,-2.3 22,-2.6 -2,-0.4 2,-0.3 0.727 91.5 20.9 -84.7 -29.8 3.7 54.5 7.4 1089 69 D V E -qs10241110L 0 -66,-1.7 -64,-2.2 20,-0.2 2,-0.4 -0.992 67.3-155.8-144.7 141.8 4.7 52.0 10.0 1090 70 D L E -qs10251111L 0 20,-2.5 22,-2.7 -2,-0.3 2,-0.5 -0.986 4.1-155.8-124.1 132.4 7.2 52.0 12.9 1091 71 D F E -qs10261112L 1 -66,-2.5 -64,-2.8 -2,-0.4 2,-0.5 -0.920 17.9-154.9 -99.3 130.1 8.8 48.9 14.6 1092 72 D T E +qs10271113L 0 20,-2.1 22,-2.5 -2,-0.5 23,-0.5 -0.926 23.5 171.3-115.2 128.4 9.9 49.7 18.1 1093 73 D A + 0 0 29 -66,-3.0 -62,-0.1 -2,-0.5 -59,-0.1 -0.763 36.9 130.9-129.3 80.7 12.7 47.8 20.0 1094 74 D L - 0 0 41 -2,-0.3 2,-0.1 5,-0.2 3,-0.1 -0.706 64.7 -73.6-125.9 171.2 13.1 49.8 23.2 1095 75 D P S > S- 0 0 98 0, 0.0 3,-2.2 0, 0.0 4,-0.2 -0.486 74.6 -73.9 -66.8 145.3 13.4 49.2 26.9 1096 76 D A T 3 S+ 0 0 67 1,-0.3 4,-0.1 -2,-0.1 -3,-0.0 0.031 119.3 16.7 -48.3 140.9 10.0 48.4 28.5 1097 77 D G T 3> S+ 0 0 3 2,-0.1 4,-1.2 -3,-0.1 3,-0.3 0.160 91.3 112.1 84.1 -17.6 7.5 51.3 28.9 1098 78 D A H <> S+ 0 0 33 -3,-2.2 4,-1.2 1,-0.3 2,-0.2 0.643 81.5 34.8 -68.5 -16.0 9.5 53.4 26.4 1099 79 D S H 4 S+ 0 0 1 2,-0.2 -1,-0.3 -4,-0.2 18,-0.2 -0.539 94.1 67.5-175.2 107.5 6.7 53.3 23.8 1100 80 D Y H > S+ 0 0 1 -3,-0.3 4,-1.6 17,-0.2 3,-0.2 -0.539 109.4 55.5 26.2 -77.7 3.7 53.2 24.9 1101 81 D D H X S+ 0 0 66 -4,-1.2 4,-0.9 1,-0.2 3,-0.5 0.942 115.0 31.0 -53.1 -62.7 5.2 56.7 25.7 1102 82 D L H < S+ 0 0 28 -4,-1.2 -1,-0.2 1,-0.2 -3,-0.1 0.652 110.4 70.6 -73.5 -14.1 6.3 57.9 22.2 1103 83 D V H >4 S+ 0 0 13 -3,-0.2 3,-1.4 1,-0.2 -1,-0.2 0.911 97.2 48.3 -66.3 -44.4 3.5 56.0 20.5 1104 84 D R H 3< S+ 0 0 132 -4,-1.6 -1,-0.2 -3,-0.5 -2,-0.2 0.852 104.8 60.2 -66.9 -34.2 0.7 58.3 21.9 1105 85 D E T 3< S+ 0 0 79 -4,-0.9 2,-0.3 2,-0.0 -1,-0.3 0.193 100.2 74.1 -80.0 15.5 2.7 61.4 20.8 1106 86 D L < - 0 0 19 -3,-1.4 2,-0.3 3,-0.1 -25,-0.1 -0.865 59.6-175.2-118.6 160.0 2.5 60.0 17.2 1107 87 D K + 0 0 81 -2,-0.3 3,-0.1 1,-0.1 -3,-0.0 -0.986 63.1 31.0-152.2 153.4 -0.4 59.9 14.7 1108 88 D G S S+ 0 0 77 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.677 94.4 113.3 75.3 19.1 -1.0 58.5 11.2 1109 89 D V - 0 0 10 -6,-0.1 -20,-0.2 -20,-0.0 2,-0.2 -0.978 63.4-138.0-131.2 124.6 1.5 55.7 12.0 1110 90 D K E -s 1089 0L 36 -22,-2.6 -20,-2.5 -2,-0.4 2,-0.4 -0.558 28.0-150.8 -70.6 141.0 0.9 52.0 12.4 1111 91 D I E -st10901159L 3 47,-2.2 49,-2.4 -2,-0.2 2,-0.5 -0.976 20.5-175.7-123.0 133.2 2.9 50.7 15.3 1112 92 D I E -st10911160L 0 -22,-2.7 -20,-2.1 -2,-0.4 2,-0.6 -0.964 16.0-161.1-124.1 106.8 4.4 47.2 15.8 1113 93 D D E -st10921161L 3 47,-2.6 49,-2.9 -2,-0.5 -20,-0.1 -0.821 13.4-165.1 -93.3 119.6 6.0 47.0 19.3 1114 94 D L S S+ 0 0 21 -22,-2.5 -21,-0.1 -2,-0.6 -1,-0.1 0.646 72.5 72.2 -75.6 -16.2 8.5 44.2 19.7 1115 95 D G S S- 0 0 19 -23,-0.5 3,-0.2 -16,-0.2 47,-0.1 0.069 98.7 -95.8 -82.5-162.0 8.3 44.8 23.5 1116 96 D A S >> S+ 0 0 5 1,-0.2 3,-0.7 2,-0.1 4,-0.5 0.374 89.5 102.0-103.5 2.0 5.5 44.0 26.1 1117 97 D D T 34 S+ 0 0 4 1,-0.2 3,-0.2 -18,-0.2 -17,-0.2 0.872 94.6 25.5 -55.7 -44.3 3.8 47.4 26.2 1118 98 D F T 34 S+ 0 0 0 -3,-0.2 43,-0.5 1,-0.1 -1,-0.2 0.288 98.4 87.7-107.7 6.3 0.8 46.4 24.0 1119 99 D R T <4 S+ 0 0 16 -3,-0.7 2,-0.3 41,-0.1 -1,-0.1 0.782 72.5 83.0 -74.8 -28.3 0.6 42.6 24.4 1120 100 D F < - 0 0 1 -4,-0.5 22,-0.1 -3,-0.2 106,-0.1 -0.590 55.2-163.3 -91.9 136.1 -1.7 42.7 27.5 1121 101 D D S S+ 0 0 64 -2,-0.3 -1,-0.2 1,-0.2 21,-0.1 0.919 91.1 50.5 -74.9 -46.3 -5.4 43.0 27.5 1122 102 D D S >> S- 0 0 94 1,-0.1 3,-1.4 2,-0.0 4,-1.1 -0.828 71.8-163.1 -93.1 107.3 -5.4 43.9 31.2 1123 103 D P H 3> S+ 0 0 33 0, 0.0 4,-1.8 0, 0.0 11,-0.3 0.636 88.0 67.9 -68.1 -12.8 -2.9 46.7 31.8 1124 104 D G H 3> S+ 0 0 25 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.795 97.5 53.3 -68.9 -31.9 -2.9 45.9 35.5 1125 105 D V H <> S+ 0 0 36 -3,-1.4 4,-1.9 2,-0.2 5,-0.3 0.902 107.8 50.7 -66.4 -44.0 -1.2 42.6 34.6 1126 106 D Y H X S+ 0 0 1 -4,-1.1 4,-3.5 1,-0.2 6,-0.4 0.911 109.8 49.8 -59.5 -41.9 1.4 44.6 32.8 1127 107 D R H X S+ 0 0 136 -4,-1.8 4,-1.3 1,-0.2 -1,-0.2 0.877 110.3 48.1 -73.1 -34.2 2.0 46.9 35.8 1128 108 D E H < S+ 0 0 143 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.916 123.8 32.7 -68.9 -38.2 2.4 44.1 38.3 1129 109 D W H < S+ 0 0 69 -4,-1.9 -2,-0.2 -5,-0.1 -3,-0.2 0.868 131.0 31.5 -86.3 -40.3 4.9 42.1 36.0 1130 110 D Y H < S- 0 0 35 -4,-3.5 -3,-0.2 -5,-0.3 -2,-0.2 0.434 101.0-125.5-102.6 -3.1 6.6 45.0 34.2 1131 111 D G S < S+ 0 0 70 -4,-1.3 2,-0.4 -5,-0.4 -4,-0.2 0.606 72.2 107.0 77.1 15.5 6.5 47.6 37.1 1132 112 D K - 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