==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BACTERIAL CHEMOTAXIS 06-JAN-98 1A2O . COMPND 2 MOLECULE: CHEB METHYLESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR S.DJORDJEVIC,P.N.GOUDREAU,Q.XU,A.M.STOCK,A.H.WEST . 694 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28543.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 486 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 107 15.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 3.2 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 . 5 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 . 51 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 205 29.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.7 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 0 0 2 0 3 3 7 3 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 5 9 2 4 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 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 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 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 M 0 0 184 0, 0.0 2,-2.1 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 -90.8 65.5 98.7 26.3 2 2 A S + 0 0 36 1,-0.2 26,-0.2 27,-0.1 27,-0.2 -0.478 360.0 154.4 -78.1 63.3 65.9 97.0 29.6 3 3 A K + 0 0 105 -2,-2.1 2,-0.6 26,-0.1 -1,-0.2 0.660 39.7 95.6 -68.1 -23.6 62.4 98.1 30.8 4 4 A I E -a 29 0A 4 24,-2.0 26,-2.7 -3,-0.2 2,-0.6 -0.604 60.8-159.4 -80.9 119.4 61.9 95.2 33.2 5 5 A R E -a 30 0A 71 -2,-0.6 47,-2.1 24,-0.2 46,-1.8 -0.843 11.9-168.3 -98.0 121.2 62.8 96.2 36.8 6 6 A V E -ab 31 52A 0 24,-2.3 26,-2.1 -2,-0.6 27,-1.2 -0.903 18.4-164.9-122.6 141.6 63.5 93.3 39.1 7 7 A L E -ab 33 53A 0 45,-2.3 47,-1.8 -2,-0.4 2,-0.3 -0.992 16.7-162.1-116.7 115.5 64.0 92.9 42.9 8 8 A S E -ab 34 54A 1 25,-1.3 27,-2.3 -2,-0.5 2,-0.6 -0.785 6.5-149.5-101.8 145.8 65.6 89.6 43.9 9 9 A V E +ab 35 55A 1 45,-2.1 47,-1.7 -2,-0.3 2,-0.4 -0.889 33.6 143.4-121.4 102.7 65.4 88.3 47.5 10 10 A D - 0 0 13 25,-1.7 6,-0.1 -2,-0.6 27,-0.1 -0.981 44.8-148.4-143.1 130.4 68.3 86.1 48.7 11 11 A D S S+ 0 0 92 -2,-0.4 2,-0.5 45,-0.2 -1,-0.1 0.723 81.4 87.8 -60.8 -22.8 70.0 85.9 52.0 12 12 A S > - 0 0 46 1,-0.2 4,-2.3 2,-0.0 5,-0.1 -0.679 64.3-157.1 -91.0 128.3 73.2 85.1 50.1 13 13 A A H > S+ 0 0 73 -2,-0.5 4,-1.6 2,-0.2 5,-0.2 0.958 98.1 45.6 -62.6 -54.1 75.5 87.9 49.0 14 14 A L H > S+ 0 0 106 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.887 115.1 49.5 -59.0 -38.9 77.2 85.9 46.3 15 15 A M H > S+ 0 0 29 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.846 108.8 52.3 -66.2 -36.8 73.7 84.7 45.2 16 16 A R H X S+ 0 0 53 -4,-2.3 4,-0.8 2,-0.2 -1,-0.2 0.779 113.0 44.9 -70.6 -27.9 72.4 88.2 45.2 17 17 A Q H X S+ 0 0 87 -4,-1.6 4,-3.0 2,-0.2 -2,-0.2 0.864 108.2 55.2 -82.9 -42.6 75.2 89.3 43.0 18 18 A I H X S+ 0 0 40 -4,-2.5 4,-2.5 1,-0.2 5,-0.3 0.941 108.2 51.7 -53.2 -46.8 75.0 86.4 40.6 19 19 A M H X S+ 0 0 10 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.863 111.6 45.7 -61.5 -36.3 71.3 87.3 40.0 20 20 A T H X S+ 0 0 26 -4,-0.8 4,-3.0 2,-0.2 11,-0.2 0.920 111.2 52.2 -76.0 -40.6 72.2 90.9 39.2 21 21 A E H X S+ 0 0 115 -4,-3.0 4,-0.7 1,-0.2 -2,-0.2 0.972 116.2 39.3 -54.7 -57.8 75.0 90.0 36.9 22 22 A I H >< S+ 0 0 5 -4,-2.5 3,-0.8 2,-0.2 4,-0.2 0.893 116.3 50.2 -64.3 -43.1 72.9 87.6 34.9 23 23 A I H >< S+ 0 0 0 -4,-2.2 3,-1.9 -5,-0.3 6,-0.2 0.987 111.9 48.0 -58.1 -57.2 69.7 89.8 35.0 24 24 A N H 3< S+ 0 0 84 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.569 95.0 75.8 -61.9 -7.5 71.7 92.9 33.8 25 25 A S T << S+ 0 0 83 -3,-0.8 2,-0.4 -4,-0.7 -1,-0.3 0.557 85.5 78.0 -82.9 0.5 73.3 90.9 31.0 26 26 A H S X S- 0 0 34 -3,-1.9 3,-1.4 3,-0.2 -1,-0.0 -0.899 77.5-136.7-110.6 139.2 70.1 91.1 29.0 27 27 A S T 3 S+ 0 0 83 -2,-0.4 -1,-0.1 1,-0.3 -24,-0.1 0.620 99.5 52.0 -62.9 -24.2 68.8 94.1 27.1 28 28 A D T 3 S+ 0 0 29 -26,-0.2 -24,-2.0 -25,-0.1 2,-0.3 0.293 109.4 47.7-101.0 7.8 65.2 94.0 28.2 29 29 A M E < -a 4 0A 3 -3,-1.4 2,-0.3 -6,-0.2 -3,-0.2 -0.986 52.5-175.0-149.7 157.2 65.8 93.8 32.0 30 30 A E E -a 5 0A 67 -26,-2.7 -24,-2.3 -2,-0.3 2,-0.7 -0.994 32.1-113.9-148.1 147.7 67.7 95.4 34.9 31 31 A M E -a 6 0A 25 -2,-0.3 -24,-0.2 -11,-0.2 3,-0.1 -0.772 25.2-175.7 -90.1 115.9 68.2 94.7 38.6 32 32 A V E - 0 0 24 -26,-2.1 2,-0.3 -2,-0.7 -25,-0.2 0.727 64.8 -40.9 -82.6 -24.7 66.6 97.6 40.5 33 33 A A E -a 7 0A 20 -27,-1.2 -25,-1.3 2,-0.0 -1,-0.3 -0.946 51.8-124.6 172.6 170.3 67.8 96.2 43.9 34 34 A T E -a 8 0A 41 -2,-0.3 -25,-0.2 -27,-0.2 -18,-0.0 -0.919 15.0-155.3-134.2 155.2 68.2 93.1 46.0 35 35 A A E -a 9 0A 0 -27,-2.3 -25,-1.7 -2,-0.3 -2,-0.0 -0.993 13.3-151.7-136.2 140.3 67.0 92.2 49.5 36 36 A P S S+ 0 0 28 0, 0.0 -27,-0.1 0, 0.0 -1,-0.1 0.658 79.7 8.8 -81.5 -18.9 68.4 89.7 52.0 37 37 A D S >> S- 0 0 43 -27,-0.1 4,-2.0 -26,-0.1 3,-0.6 -0.981 84.1 -91.1-155.6 167.0 65.0 88.9 53.7 38 38 A P H 3> S+ 0 0 3 0, 0.0 4,-0.6 0, 0.0 25,-0.1 0.553 119.3 56.9 -60.1 -9.8 61.2 89.3 53.5 39 39 A L H 3> S+ 0 0 69 2,-0.2 4,-1.1 3,-0.1 5,-0.0 0.865 110.4 38.7 -89.7 -43.2 61.5 92.5 55.7 40 40 A V H <> S+ 0 0 44 -3,-0.6 4,-2.8 2,-0.2 5,-0.2 0.732 112.9 59.0 -75.4 -29.4 63.9 94.4 53.5 41 41 A A H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 5,-0.2 0.899 103.0 52.5 -64.9 -41.3 62.2 93.2 50.4 42 42 A R H X S+ 0 0 140 -4,-0.6 4,-1.5 -5,-0.2 -2,-0.2 0.923 112.6 46.3 -58.4 -45.1 58.9 94.7 51.6 43 43 A D H X S+ 0 0 88 -4,-1.1 4,-1.8 1,-0.2 -2,-0.2 0.938 114.7 43.2 -65.0 -54.5 60.7 98.0 52.1 44 44 A L H X S+ 0 0 40 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.650 109.5 57.9 -73.6 -13.1 62.5 98.1 48.8 45 45 A I H X S+ 0 0 20 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.898 108.4 47.2 -76.9 -39.9 59.5 96.9 46.8 46 46 A K H < S+ 0 0 132 -4,-1.5 -2,-0.2 -5,-0.2 -3,-0.1 0.904 118.0 43.3 -63.9 -41.9 57.6 99.9 48.2 47 47 A K H < S+ 0 0 154 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.908 124.6 29.2 -72.1 -47.5 60.5 102.2 47.3 48 48 A F H < S- 0 0 57 -4,-2.2 -2,-0.2 -5,-0.1 -1,-0.2 0.472 84.7-144.5 -98.1 -3.7 61.4 100.9 43.8 49 49 A N < - 0 0 120 -4,-1.6 -3,-0.1 1,-0.1 -44,-0.1 0.866 28.8-163.9 37.3 61.6 58.0 99.6 42.5 50 50 A P - 0 0 11 0, 0.0 -44,-0.2 0, 0.0 3,-0.1 -0.299 23.4-141.6 -72.6 154.7 59.7 96.7 40.6 51 51 A D S S+ 0 0 72 -46,-1.8 2,-0.4 1,-0.2 -45,-0.2 0.790 84.5 33.6 -83.7 -36.0 57.9 94.7 37.9 52 52 A V E -b 6 0A 0 -47,-2.1 -45,-2.3 25,-0.1 2,-0.5 -0.990 61.6-163.2-136.6 134.2 59.3 91.3 38.8 53 53 A L E -bc 7 79A 0 25,-2.8 27,-3.3 -2,-0.4 2,-0.5 -0.958 7.3-157.0-109.6 121.6 60.3 89.7 42.1 54 54 A T E -bc 8 80A 8 -47,-1.8 -45,-2.1 -2,-0.5 2,-0.6 -0.920 14.5-158.6-103.6 126.7 62.5 86.6 42.2 55 55 A L E -bc 9 81A 2 25,-1.5 27,-2.1 -2,-0.5 2,-0.9 -0.915 14.6-168.6-114.5 111.3 62.0 84.7 45.5 56 56 A D E - c 0 82A 7 -47,-1.7 -45,-0.2 -2,-0.6 8,-0.1 -0.857 9.0-171.8 -92.9 108.4 64.6 82.3 46.8 57 57 A V + 0 0 9 -2,-0.9 2,-2.1 25,-0.7 7,-0.3 0.577 56.8 97.8 -81.8 -7.7 62.6 80.6 49.6 58 58 A E + 0 0 134 24,-0.3 -1,-0.2 5,-0.1 -2,-0.0 -0.181 54.8 119.6 -77.4 52.9 65.5 78.6 51.2 59 59 A M - 0 0 10 -2,-2.1 5,-0.1 1,-0.2 -22,-0.0 -0.966 59.4-137.7-122.5 128.3 66.2 81.1 54.0 60 60 A P S S+ 0 0 120 0, 0.0 3,-0.2 0, 0.0 -1,-0.2 0.928 78.5 58.0 -45.8 -83.7 65.9 80.2 57.7 61 61 A R S S- 0 0 208 1,-0.2 -2,-0.1 2,-0.0 0, 0.0 0.078 123.3 -20.6 -48.1 165.5 64.1 83.1 59.5 62 62 A M S S- 0 0 68 1,-0.1 -1,-0.2 2,-0.1 -23,-0.1 0.314 88.2-148.9 -10.5 105.9 60.7 84.2 58.4 63 63 A D >> - 0 0 47 -3,-0.2 3,-1.1 -26,-0.1 4,-0.9 -0.314 25.1 -88.0 -88.9 175.5 60.8 82.6 54.9 64 64 A G H 3> S+ 0 0 2 -7,-0.3 4,-1.8 1,-0.2 5,-0.2 0.475 112.0 73.8 -61.1 -8.8 59.2 83.7 51.6 65 65 A L H 3> S+ 0 0 30 3,-0.2 4,-1.4 -8,-0.2 -1,-0.2 0.825 101.2 38.4 -77.2 -38.4 56.0 81.7 52.2 66 66 A D H <> S+ 0 0 111 -3,-1.1 4,-1.0 2,-0.2 -2,-0.2 0.764 124.3 41.0 -85.8 -23.8 54.5 84.0 54.8 67 67 A F H X S+ 0 0 15 -4,-0.9 4,-4.5 2,-0.2 3,-0.4 0.930 118.7 45.3 -83.3 -51.6 55.7 87.2 53.1 68 68 A L H X S+ 0 0 1 -4,-1.8 4,-2.2 1,-0.3 5,-0.4 0.961 111.9 55.7 -54.1 -43.7 54.9 85.9 49.7 69 69 A E H X S+ 0 0 67 -4,-1.4 4,-0.5 -5,-0.2 -1,-0.3 0.849 117.0 33.9 -53.6 -40.2 51.6 84.9 51.4 70 70 A K H X S+ 0 0 104 -4,-1.0 4,-3.0 -3,-0.4 -1,-0.2 0.782 111.0 63.9 -89.7 -26.5 51.0 88.5 52.5 71 71 A L H < S+ 0 0 18 -4,-4.5 -2,-0.2 1,-0.2 -3,-0.2 0.912 110.8 37.3 -60.0 -46.1 52.6 90.1 49.3 72 72 A M H < S+ 0 0 28 -4,-2.2 3,-0.3 -5,-0.2 -1,-0.2 0.726 117.5 53.4 -77.9 -26.5 49.9 88.5 47.0 73 73 A R H < S+ 0 0 141 -4,-0.5 2,-1.2 -5,-0.4 -2,-0.2 0.977 114.4 38.0 -72.7 -56.9 47.2 89.1 49.7 74 74 A L S < S- 0 0 121 -4,-3.0 -1,-0.3 1,-0.2 -4,-0.0 -0.681 143.6 -26.8 -99.3 83.2 47.8 92.8 50.2 75 75 A R S S- 0 0 210 -2,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.977 78.4-147.6 76.3 85.8 48.7 94.1 46.7 76 76 A P + 0 0 67 0, 0.0 -4,-0.1 0, 0.0 60,-0.0 -0.010 20.9 169.7 -74.5 175.3 50.1 91.3 44.4 77 77 A M - 0 0 25 58,-0.1 2,-0.5 -24,-0.0 -25,-0.1 -0.949 48.0 -54.9-172.3 171.9 52.7 91.5 41.6 78 78 A P - 0 0 20 0, 0.0 -25,-2.8 0, 0.0 2,-0.5 -0.468 52.7-177.1 -71.7 120.6 54.8 89.1 39.4 79 79 A V E -c 53 0A 0 -2,-0.5 23,-2.5 21,-0.3 24,-0.8 -0.958 11.6-164.7-123.5 125.9 56.9 86.7 41.5 80 80 A V E -cd 54 103A 4 -27,-3.3 -25,-1.5 -2,-0.5 24,-0.2 -0.917 18.6-140.9-115.8 109.4 59.3 84.2 40.0 81 81 A M E -cd 55 104A 0 22,-2.2 24,-2.5 -2,-0.6 2,-0.4 -0.268 3.7-147.0 -70.0 152.0 60.5 81.4 42.4 82 82 A V E -cd 56 105A 13 -27,-2.1 -25,-0.7 22,-0.2 -24,-0.3 -0.986 24.5-159.5-122.7 121.7 64.0 80.0 42.6 83 83 A S E - d 0 106A 3 22,-3.7 24,-2.7 -2,-0.4 2,-0.6 -0.719 32.6-149.7-117.9 164.4 64.5 76.3 43.6 84 84 A S - 0 0 21 -2,-0.3 5,-0.4 2,-0.2 6,-0.3 -0.900 30.8-141.4-120.1 86.0 66.7 73.6 44.9 85 85 A L > + 0 0 52 -2,-0.6 5,-0.6 4,-0.2 -1,-0.2 0.774 67.7 112.2 -13.5 -56.6 65.3 70.5 43.1 86 86 A T T >>5S- 0 0 99 3,-0.2 3,-1.8 1,-0.1 4,-1.0 0.233 87.9 -79.2 -33.4 144.9 65.9 68.6 46.3 87 87 A G H 3>5S+ 0 0 58 1,-0.3 4,-1.2 2,-0.2 -1,-0.1 0.482 126.5 31.9 -10.8 -62.6 63.0 67.2 48.4 88 88 A K H 3>5S+ 0 0 119 2,-0.2 4,-2.9 1,-0.2 5,-0.4 0.787 108.0 73.4 -80.5 -27.4 61.7 70.2 50.4 89 89 A G H <>5S+ 0 0 16 -3,-1.8 4,-2.4 -5,-0.4 -2,-0.2 0.917 102.1 42.1 -48.7 -47.7 62.7 72.5 47.6 90 90 A S H XS+ 0 0 0 -4,-2.7 5,-2.1 1,-0.2 4,-1.2 0.883 112.9 48.9 -57.1 -43.5 54.5 79.0 46.6 97 97 A L H <5S+ 0 0 12 -4,-1.7 3,-0.4 2,-0.2 -1,-0.2 0.895 110.2 49.1 -65.5 -43.0 52.9 78.2 43.3 98 98 A E H <5S+ 0 0 31 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.682 114.5 50.1 -69.3 -15.6 49.6 77.2 45.0 99 99 A L H <5S- 0 0 36 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.702 134.3 -80.4 -91.3 -28.1 50.1 80.6 46.8 100 100 A G T <5S+ 0 0 4 -4,-1.2 -21,-0.3 -3,-0.4 -3,-0.2 0.352 72.1 144.8 146.1 -18.6 50.7 82.6 43.7 101 101 A A < - 0 0 1 -5,-2.1 -1,-0.3 1,-0.1 -21,-0.2 -0.230 43.8-141.7 -46.4 144.2 54.2 82.5 42.2 102 102 A I - 0 0 2 -23,-2.5 64,-0.5 1,-0.2 2,-0.2 0.880 68.1 -36.4 -74.4 -44.5 53.9 82.7 38.5 103 103 A D E -d 80 0A 17 -24,-0.8 -22,-2.2 62,-0.1 2,-0.3 -0.823 59.1-121.7-159.4-165.3 56.7 80.2 37.9 104 104 A F E -d 81 0A 12 -2,-0.2 2,-0.3 -24,-0.2 -22,-0.2 -0.999 2.7-148.2-155.5 158.5 60.1 78.9 39.1 105 105 A V E -d 82 0A 6 -24,-2.5 -22,-3.7 -2,-0.3 2,-0.3 -0.927 21.8-135.2-124.6 149.3 63.7 78.4 38.1 106 106 A T E +d 83 0A 31 -2,-0.3 -22,-0.2 -24,-0.2 16,-0.1 -0.886 30.3 157.3-112.7 146.6 66.0 75.6 39.4 107 107 A K - 0 0 4 -24,-2.7 2,-0.6 -2,-0.3 6,-0.1 -0.480 41.8-127.4-162.9 75.9 69.7 75.7 40.6 108 108 A P S S- 0 0 30 0, 0.0 2,-1.9 0, 0.0 4,-0.2 0.089 76.6 -52.9 -32.3 79.0 70.8 72.8 43.0 109 109 A Q S S+ 0 0 108 -2,-0.6 2,-0.2 -26,-0.2 -25,-0.1 -0.186 132.4 7.8 78.1 -50.3 72.3 74.8 45.9 110 110 A L S S- 0 0 58 -2,-1.9 2,-1.9 2,-0.2 -95,-0.0 -0.776 104.0 -76.3-143.7-175.9 74.5 76.7 43.4 111 111 A G S S+ 0 0 28 -2,-0.2 2,-0.3 2,-0.1 3,-0.2 -0.372 97.8 131.8 -82.5 49.8 74.8 76.9 39.6 112 112 A I + 0 0 56 -2,-1.9 -2,-0.2 -4,-0.2 3,-0.1 -0.780 57.0 20.6-106.3 150.6 76.4 73.5 40.5 113 113 A R S S+ 0 0 217 -2,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.627 127.3 61.6 65.1 10.2 75.7 70.2 38.8 114 114 A E S S- 0 0 63 -3,-0.2 2,-0.4 -6,-0.1 -1,-0.2 -0.982 89.3 -93.5-159.6 164.0 74.5 72.5 36.0 115 115 A G > - 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0 0 4 -5,-2.6 2,-0.4 -6,-0.1 -1,-0.3 -0.583 51.9-122.0 -81.2 143.7 42.6 92.1 -6.4 648 300 B W E -u 624 0E 82 -25,-1.0 -23,-2.5 -2,-0.3 2,-0.4 -0.668 35.7-155.9 -75.9 127.9 44.0 89.4 -4.1 649 301 B T E -u 625 0E 0 -2,-0.4 25,-1.6 -25,-0.2 24,-0.7 -0.941 10.8-164.9-119.5 138.6 41.4 86.7 -4.1 650 302 B I E -uv 626 674E 0 -25,-2.3 -23,-2.8 -2,-0.4 2,-0.4 -0.949 1.6-163.9-121.9 139.9 40.8 84.0 -1.4 651 303 B A E -uv 627 675E 0 23,-1.6 25,-3.1 -2,-0.4 -23,-0.2 -0.988 29.2-114.1-124.2 133.5 38.7 80.8 -1.6 652 304 B Q E - v 0 676E 2 -25,-2.3 25,-0.2 -2,-0.4 5,-0.1 -0.496 42.7-114.0 -66.1 134.6 37.6 78.8 1.4 653 305 B N > - 0 0 36 23,-2.3 4,-0.8 -2,-0.2 25,-0.1 -0.192 21.1-110.5 -66.1 160.8 39.4 75.4 1.2 654 306 B E T >4 S+ 0 0 126 1,-0.2 3,-0.6 2,-0.2 -1,-0.1 0.893 111.7 56.1 -62.3 -39.0 37.5 72.1 0.7 655 307 B A T 34 S+ 0 0 51 1,-0.3 -1,-0.2 5,-0.0 22,-0.1 0.913 110.0 42.3 -64.3 -45.5 38.0 70.8 4.2 656 308 B S T 34 S+ 0 0 13 -3,-0.1 2,-0.4 -171,-0.1 -1,-0.3 0.561 97.4 98.4 -79.6 -8.3 36.5 73.7 6.1 657 309 B C << - 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0 0 24 -5,-0.2 -22,-0.1 1,-0.1 3,-0.1 -0.983 47.1-166.5-126.7 111.4 41.8 82.7 -7.0 673 325 B S S S- 0 0 35 -24,-0.7 2,-0.3 -2,-0.5 -23,-0.2 0.885 75.6 -3.0 -62.1 -40.8 45.2 83.8 -5.7 674 326 B E E -v 650 0E 78 -25,-1.6 -23,-1.6 2,-0.0 2,-0.4 -0.988 59.7-131.5-159.9 144.1 45.1 81.3 -2.8 675 327 B V E -v 651 0E 70 -2,-0.3 2,-0.4 -25,-0.2 -23,-0.2 -0.819 35.5-170.6 -94.4 125.4 42.9 78.7 -1.2 676 328 B V E -v 652 0E 11 -25,-3.1 -23,-2.3 -2,-0.4 2,-0.2 -0.960 27.2-112.2-127.0 149.7 42.7 79.2 2.6 677 329 B D >> - 0 0 51 -2,-0.4 3,-2.4 -25,-0.2 4,-0.6 -0.527 36.3-118.5 -69.9 137.7 41.4 77.3 5.6 678 330 B L H >> S+ 0 0 9 1,-0.3 3,-1.9 2,-0.2 4,-0.6 0.876 112.4 59.7 -44.7 -43.8 38.4 79.2 7.1 679 331 B S H 34 S+ 0 0 4 1,-0.3 -1,-0.3 2,-0.1 4,-0.1 0.544 111.0 43.9 -70.7 -1.6 40.1 79.7 10.5 680 332 B Q H <> S+ 0 0 53 -3,-2.4 4,-2.4 2,-0.1 -1,-0.3 0.384 90.3 87.4-114.8 -9.0 42.8 81.5 8.6 681 333 B V H S+ 0 0 55 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.890 113.2 50.5 -71.4 -45.2 43.8 87.0 9.2 684 336 B Q H X S+ 0 0 48 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.877 111.4 47.6 -60.4 -43.9 44.8 86.5 5.5 685 337 B M H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.868 114.8 47.2 -68.0 -34.3 42.3 89.1 4.2 686 338 B L H X S+ 0 0 22 -4,-1.5 4,-1.5 -5,-0.3 -2,-0.2 0.938 113.7 47.5 -70.8 -43.8 43.4 91.6 6.8 687 339 B A H X S+ 0 0 52 -4,-2.9 4,-1.2 1,-0.2 -2,-0.2 0.915 114.8 44.4 -68.3 -38.6 47.1 90.9 6.1 688 340 B K H < S+ 0 0 81 -4,-2.6 3,-0.2 1,-0.2 -1,-0.2 0.894 114.1 48.4 -73.2 -37.4 46.8 91.2 2.3 689 341 B I H < S+ 0 0 7 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.816 114.8 49.1 -69.7 -24.3 44.6 94.3 2.3 690 342 B S H < S+ 0 0 45 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.660 82.9 112.0 -87.7 -24.4 47.0 95.9 4.8 691 343 B A S < S- 0 0 54 -4,-1.2 2,-1.7 -3,-0.2 -3,-0.0 -0.268 96.7 -26.2 -61.0 132.7 50.3 95.2 2.9 692 344 B G S S+ 0 0 77 2,-0.0 -1,-0.1 1,-0.0 2,-0.1 -0.367 89.8 173.7 65.1 -85.6 52.1 98.2 1.5 693 345 B Q - 0 0 54 -2,-1.7 2,-0.9 2,-0.1 -3,-0.1 -0.381 44.2 -12.0 86.2-162.5 49.0 100.4 1.2 694 346 B A 0 0 64 -2,-0.1 -2,-0.0 0, 0.0 -192,-0.0 -0.681 360.0 360.0 -78.7 101.9 48.5 104.1 0.3 695 347 B I 0 0 205 -2,-0.9 -2,-0.1 0, 0.0 0, 0.0 -0.704 360.0 360.0-148.7 360.0 52.0 105.6 0.4