==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/INHIBITOR 16-FEB-12 4AJL . COMPND 2 MOLECULE: L-LACTATE DEHYDROGENASE A CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR J.A.TUCKER,C.BRASSINGTON,G.HASSALL,M.VOGTHERR,R.WARD,J.TART, . 1314 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41800.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 948 72.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 100 7.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 126 9.6 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 . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.6 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 . 88 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 155 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 428 32.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.2 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 4 4 0 0 0 0 0 0 9 3 0 8 0 0 11 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 12 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 0 PARALLEL BRIDGES PER LADDER . 10 10 4 4 0 0 0 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 4 0 0 0 0 0 0 0 4 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 A > 0 0 79 0, 0.0 4,-1.6 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 146.2 24.6 32.7 13.7 2 3 A L H > + 0 0 0 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.877 360.0 55.3 -58.5 -41.1 21.9 31.8 16.3 3 4 A K H > S+ 0 0 92 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.890 110.1 46.0 -61.0 -41.7 23.9 28.6 17.4 4 5 A D H 4 S+ 0 0 102 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.765 111.4 52.0 -73.4 -26.2 26.9 30.8 18.2 5 6 A Q H < S+ 0 0 94 -4,-1.6 -1,-0.2 1,-0.1 -2,-0.2 0.796 119.4 36.6 -74.0 -33.8 24.7 33.4 20.0 6 7 A L H < S+ 0 0 0 -4,-1.8 956,-3.2 1,-0.2 2,-0.4 0.852 120.7 38.5 -85.3 -43.5 23.3 30.6 22.1 7 8 A I E < -A 961 0A 5 -4,-2.8 2,-0.6 954,-0.3 954,-0.2 -0.943 60.5-146.1-123.7 139.4 26.2 28.3 22.7 8 9 A V E -A 960 0A 46 952,-3.3 952,-2.4 -2,-0.4 2,-0.4 -0.891 27.4-142.3 -98.1 114.1 30.0 28.7 23.3 9 10 A N E +A 959 0A 92 -2,-0.6 950,-0.2 950,-0.2 3,-0.1 -0.694 29.8 167.0 -83.1 129.2 31.8 25.8 21.6 10 11 A L + 0 0 68 948,-2.3 2,-0.4 -2,-0.4 949,-0.2 0.587 65.5 37.6-112.7 -19.9 34.7 24.4 23.5 11 12 A L 0 0 53 947,-1.5 -1,-0.3 802,-0.0 944,-0.0 -0.989 360.0 360.0-143.8 125.3 35.4 21.1 21.7 12 13 A K 0 0 134 -2,-0.4 -2,-0.0 -3,-0.1 0, 0.0 -0.414 360.0 360.0 -68.7 360.0 35.2 20.4 17.9 13 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 14 16 A Q 0 0 126 0, 0.0 941,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 50.2 33.5 12.2 17.2 15 17 A V - 0 0 70 1,-0.0 2,-0.1 2,-0.0 70,-0.1 -0.845 360.0-120.7-102.6 130.6 33.8 8.4 17.1 16 18 A P - 0 0 16 0, 0.0 3,-0.2 0, 0.0 907,-0.0 -0.394 16.0-163.1 -71.3 148.6 31.0 6.0 18.4 17 19 A Q S S+ 0 0 71 1,-0.2 905,-0.0 -2,-0.1 68,-0.0 0.650 85.7 28.5-101.9 -22.4 31.9 3.6 21.2 18 20 A N S S+ 0 0 19 2,-0.1 25,-1.1 904,-0.0 26,-0.6 -0.411 81.9 166.5-138.2 56.0 29.0 1.1 21.0 19 21 A K E -k 44 0B 7 66,-0.5 68,-2.8 -3,-0.2 69,-1.5 -0.581 14.5-170.2 -82.4 139.5 28.0 1.2 17.3 20 22 A I E -kl 45 88B 0 24,-2.2 26,-2.1 -2,-0.3 2,-0.4 -0.985 5.4-158.8-124.7 136.3 25.7 -1.4 15.7 21 23 A T E -kl 46 89B 0 67,-2.3 69,-3.0 -2,-0.4 2,-0.5 -0.938 1.7-159.9-112.2 138.7 25.0 -1.8 11.9 22 24 A V E -kl 47 90B 0 24,-2.5 26,-1.9 -2,-0.4 2,-0.6 -0.988 9.3-156.5-114.5 121.1 21.9 -3.6 10.5 23 25 A V E +kl 48 91B 2 67,-3.5 69,-3.1 -2,-0.5 70,-0.6 -0.897 67.2 33.5 -99.9 117.5 22.5 -4.7 6.9 24 26 A G - 0 0 3 24,-3.6 25,-0.2 -2,-0.6 69,-0.0 0.443 61.9-149.3 105.1 114.6 19.1 -5.2 5.1 25 27 A V + 0 0 1 4,-0.2 -1,-0.1 22,-0.1 24,-0.1 -0.071 54.7 123.2-109.1 33.5 16.0 -3.0 5.9 26 28 A G S > S- 0 0 40 66,-0.1 4,-2.6 1,-0.0 5,-0.3 -0.051 88.2 -76.4 -72.8-174.3 13.3 -5.6 5.1 27 29 A A H > S+ 0 0 29 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.890 135.0 50.0 -59.0 -39.3 10.8 -6.5 7.8 28 30 A V H > S+ 0 0 39 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.957 112.9 46.0 -61.1 -52.9 13.4 -8.6 9.7 29 31 A G H > S+ 0 0 0 1,-0.2 4,-2.5 63,-0.2 -2,-0.2 0.903 113.0 48.3 -58.1 -44.7 16.1 -5.9 9.6 30 32 A M H X S+ 0 0 4 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.834 110.3 51.7 -68.4 -31.5 13.7 -3.1 10.7 31 33 A A H X S+ 0 0 1 -4,-1.8 4,-2.3 -5,-0.3 -1,-0.2 0.899 111.0 48.3 -71.4 -38.7 12.3 -5.3 13.6 32 34 A C H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.930 113.1 49.6 -61.0 -46.9 16.0 -5.9 14.7 33 35 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.952 112.8 43.9 -58.6 -53.6 16.6 -2.1 14.4 34 36 A I H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 -1,-0.2 0.907 114.6 50.3 -60.6 -43.0 13.5 -1.0 16.5 35 37 A S H X S+ 0 0 0 -4,-2.3 4,-1.0 2,-0.2 -2,-0.2 0.926 112.6 46.6 -62.9 -41.5 14.2 -3.7 19.1 36 38 A I H <>S+ 0 0 0 -4,-2.6 5,-1.4 2,-0.2 6,-0.3 0.894 112.7 50.2 -66.1 -41.2 17.9 -2.6 19.5 37 39 A L H ><5S+ 0 0 1 -4,-2.5 3,-1.2 1,-0.2 33,-0.5 0.918 111.3 48.4 -64.1 -43.2 16.8 1.1 19.7 38 40 A M H 3<5S+ 0 0 28 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.670 108.9 54.1 -75.1 -13.1 14.2 0.3 22.4 39 41 A K T 3<5S- 0 0 63 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.371 103.2-130.4 -98.6 1.6 16.8 -1.7 24.4 40 42 A D T < 5 + 0 0 66 -3,-1.2 -3,-0.2 -4,-0.3 -2,-0.1 0.850 60.8 139.2 53.6 42.5 19.4 1.2 24.5 41 43 A L < + 0 0 14 -5,-1.4 2,-0.3 1,-0.0 -4,-0.1 0.664 55.1 50.0 -88.6 -19.7 22.2 -1.0 23.3 42 44 A A - 0 0 2 -6,-0.3 -23,-0.2 1,-0.1 3,-0.1 -0.914 50.1-160.3-127.1 150.1 23.9 1.4 20.8 43 45 A D S S+ 0 0 9 -25,-1.1 30,-0.7 -2,-0.3 2,-0.3 0.592 95.6 25.0 -96.6 -13.9 25.2 5.0 20.7 44 46 A E E -km 19 73B 15 -26,-0.6 -24,-2.2 28,-0.1 2,-0.5 -0.978 67.3-163.8-148.1 132.4 25.0 4.9 16.9 45 47 A L E -km 20 74B 0 28,-2.5 30,-2.6 -2,-0.3 2,-0.4 -0.983 9.1-167.8-118.2 127.0 22.8 2.7 14.6 46 48 A A E -km 21 75B 0 -26,-2.1 -24,-2.5 -2,-0.5 2,-0.4 -0.950 3.2-159.4-114.2 139.7 23.8 2.4 10.9 47 49 A L E -km 22 76B 0 28,-2.1 30,-1.6 -2,-0.4 2,-0.4 -0.932 7.5-172.6-118.1 137.4 21.5 0.9 8.2 48 50 A V E +k 23 0B 1 -26,-1.9 -24,-3.6 -2,-0.4 2,-0.3 -0.997 17.6 139.9-130.5 138.5 22.6 -0.4 4.9 49 51 A D - 0 0 35 28,-0.4 3,-0.0 -2,-0.4 28,-0.0 -0.921 50.7-120.6-158.4 177.4 20.6 -1.6 1.9 50 52 A V S S+ 0 0 99 -2,-0.3 2,-0.9 1,-0.1 28,-0.1 0.513 91.9 82.0-100.9 -15.3 20.6 -1.5 -2.0 51 53 A I > - 0 0 103 1,-0.2 4,-2.4 2,-0.0 5,-0.2 -0.845 65.6-164.7 -98.9 100.2 17.2 0.3 -2.4 52 54 A E H > S+ 0 0 110 -2,-0.9 4,-2.2 2,-0.2 5,-0.2 0.830 82.0 44.6 -52.6 -49.5 18.1 3.9 -1.8 53 55 A D H > S+ 0 0 91 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.955 115.0 47.6 -66.4 -48.8 14.5 5.4 -1.3 54 56 A K H > S+ 0 0 54 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.902 113.7 49.4 -53.3 -48.7 13.4 2.6 1.1 55 57 A L H X S+ 0 0 3 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.909 113.0 45.1 -59.9 -47.0 16.7 2.9 3.0 56 58 A K H X S+ 0 0 110 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.902 112.9 51.7 -67.3 -39.5 16.4 6.7 3.4 57 59 A G H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.895 110.9 47.2 -63.0 -42.5 12.7 6.5 4.3 58 60 A E H X S+ 0 0 1 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.922 112.5 48.9 -66.0 -45.0 13.4 3.9 7.1 59 61 A M H X S+ 0 0 27 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.930 113.5 47.3 -59.2 -46.0 16.3 5.9 8.5 60 62 A M H X S+ 0 0 28 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.876 109.5 53.2 -63.7 -43.7 14.1 9.2 8.5 61 63 A D H X S+ 0 0 0 -4,-2.3 4,-0.6 2,-0.2 -1,-0.2 0.943 113.9 43.0 -59.0 -45.2 11.1 7.3 10.2 62 64 A L H >< S+ 0 0 0 -4,-2.3 3,-1.4 1,-0.2 -2,-0.2 0.922 111.8 54.2 -63.8 -47.7 13.5 6.1 13.0 63 65 A Q H >< S+ 0 0 26 -4,-2.9 3,-2.3 1,-0.3 -2,-0.2 0.890 99.8 61.9 -54.6 -41.3 15.2 9.6 13.3 64 66 A H H 3< S+ 0 0 11 -4,-2.5 3,-0.3 1,-0.3 -1,-0.3 0.731 101.4 52.6 -60.6 -21.7 11.8 11.3 13.8 65 67 A G T X< S+ 0 0 0 -3,-1.4 3,-2.0 -4,-0.6 -1,-0.3 0.269 75.0 113.3 -92.9 8.3 11.3 9.2 17.0 66 68 A S G X + 0 0 10 -3,-2.3 3,-1.5 1,-0.3 5,-0.2 0.767 67.0 63.7 -52.1 -34.8 14.7 10.4 18.4 67 69 A L G 3 S+ 0 0 20 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.786 105.1 47.1 -60.0 -29.4 13.1 12.3 21.2 68 70 A F G < S+ 0 0 38 -3,-2.0 -1,-0.3 510,-0.0 2,-0.2 0.332 110.3 64.7 -95.3 2.6 11.7 9.0 22.6 69 71 A L < - 0 0 5 -3,-1.5 -31,-0.1 -4,-0.2 -32,-0.0 -0.646 67.4-140.4-122.8 173.7 15.1 7.1 22.3 70 72 A K S S+ 0 0 53 -33,-0.5 -3,-0.1 -2,-0.2 -4,-0.1 -0.167 74.3 99.8-128.4 37.1 18.6 7.2 23.8 71 73 A T - 0 0 2 -5,-0.2 -28,-0.2 1,-0.1 -27,-0.1 -0.940 54.2-168.5-124.3 97.2 20.5 6.4 20.5 72 74 A P + 0 0 38 0, 0.0 2,-0.4 0, 0.0 -28,-0.1 0.529 66.5 49.5 -72.7 -11.1 21.8 9.9 19.4 73 75 A K E +m 44 0B 108 -30,-0.7 -28,-2.5 2,-0.0 2,-0.5 -0.974 54.2 172.5-134.7 119.4 23.0 9.0 15.9 74 76 A I E +m 45 0B 8 -2,-0.4 2,-0.3 -30,-0.2 -28,-0.2 -0.999 19.4 168.2-123.7 118.2 20.9 7.0 13.3 75 77 A V E -m 46 0B 30 -30,-2.6 -28,-2.1 -2,-0.5 2,-0.3 -0.897 13.7-171.9-131.0 159.9 22.6 6.9 9.8 76 78 A S E +m 47 0B 27 -2,-0.3 2,-0.3 -30,-0.2 -28,-0.2 -0.991 11.7 152.0-151.3 156.1 22.2 5.1 6.5 77 79 A S - 0 0 35 -30,-1.6 -28,-0.4 -2,-0.3 -2,-0.0 -0.914 47.0-129.2-170.7 157.0 23.9 4.6 3.1 78 80 A K S S+ 0 0 96 -2,-0.3 2,-0.5 -30,-0.2 -30,-0.1 0.668 95.5 88.7 -77.0 -23.5 24.2 2.0 0.3 79 81 A D S > S- 0 0 86 1,-0.1 3,-1.8 -3,-0.1 4,-0.2 -0.688 78.4-142.9 -80.7 123.9 28.0 2.8 0.9 80 82 A Y G > S+ 0 0 16 -2,-0.5 3,-2.1 1,-0.3 4,-0.2 0.606 90.2 84.1 -64.2 -12.3 29.6 0.5 3.6 81 83 A S G > S+ 0 0 55 1,-0.3 3,-1.6 2,-0.2 -1,-0.3 0.817 80.4 67.1 -61.0 -24.5 31.8 3.4 4.8 82 84 A V G < S+ 0 0 26 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.708 95.3 57.9 -62.8 -23.8 28.6 4.3 6.9 83 85 A T G X S+ 0 0 0 -3,-2.1 3,-0.9 -4,-0.2 -1,-0.3 0.410 76.7 138.1 -87.9 -3.9 29.3 1.0 8.9 84 86 A A T < + 0 0 25 -3,-1.6 41,-0.2 1,-0.2 40,-0.1 -0.144 69.3 11.5 -50.7 136.8 32.9 2.0 10.0 85 87 A N T 3 S+ 0 0 93 39,-1.5 -66,-0.5 1,-0.2 2,-0.3 0.755 82.1 163.4 66.3 33.4 33.8 1.1 13.6 86 88 A S < - 0 0 6 -3,-0.9 -1,-0.2 1,-0.2 -66,-0.2 -0.614 31.4-160.7 -79.6 139.7 30.8 -1.1 14.3 87 89 A K S S+ 0 0 49 -68,-2.8 42,-1.9 1,-0.3 2,-0.4 0.800 85.7 24.9 -81.1 -34.9 31.2 -3.4 17.4 88 90 A L E -ln 20 129B 0 -69,-1.5 -67,-2.3 40,-0.2 2,-0.5 -0.993 65.6-167.3-137.2 129.5 28.4 -5.5 16.0 89 91 A V E -ln 21 130B 0 40,-2.4 42,-2.8 -2,-0.4 2,-0.5 -0.975 10.1-160.9-121.9 115.8 27.2 -6.0 12.4 90 92 A I E -ln 22 131B 0 -69,-3.0 -67,-3.5 -2,-0.5 2,-0.7 -0.868 5.1-153.7-100.0 119.7 23.9 -7.8 11.9 91 93 A I E +ln 23 132B 0 40,-2.5 42,-2.4 -2,-0.5 43,-1.5 -0.866 32.6 150.3-100.1 114.3 23.2 -9.3 8.5 92 94 A T + 0 0 20 -69,-3.1 -63,-0.2 -2,-0.7 -68,-0.2 0.285 38.2 119.8-121.5 6.1 19.5 -9.6 7.6 93 95 A A + 0 0 18 -70,-0.6 2,-0.2 41,-0.1 40,-0.1 -0.283 40.6 47.7 -77.7 159.0 19.8 -9.2 3.8 94 96 A G S S- 0 0 37 40,-0.1 16,-0.1 19,-0.1 2,-0.0 -0.534 92.7 -17.2 112.3-175.0 18.9 -11.5 0.9 95 97 A A - 0 0 30 11,-0.2 40,-0.4 -2,-0.2 2,-0.3 -0.368 66.4-142.0 -62.9 136.6 15.9 -13.7 -0.3 96 98 A R - 0 0 122 1,-0.1 -1,-0.1 38,-0.1 38,-0.0 -0.755 29.5 -79.4-104.7 154.3 13.5 -14.4 2.6 97 99 A Q - 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0 0 1 -3,-1.5 2,-0.4 -7,-0.1 -40,-0.2 -0.185 67.4-117.7 -70.1 169.3 33.4 -6.4 14.7 129 131 A K E -n 88 0B 17 -42,-1.9 -40,-2.4 167,-0.0 2,-0.5 -0.887 28.9-138.0-101.0 135.2 31.4 -9.5 15.7 130 132 A L E -no 89 155B 0 24,-3.6 26,-3.0 -2,-0.4 2,-0.6 -0.902 13.9-163.8 -98.7 130.7 29.2 -10.6 12.8 131 133 A L E -no 90 156B 0 -42,-2.8 -40,-2.5 -2,-0.5 2,-0.5 -0.951 9.4-156.0-115.3 105.1 25.6 -11.7 13.7 132 134 A I E +no 91 157B 0 24,-3.5 26,-3.3 -2,-0.6 27,-0.3 -0.764 30.3 154.3 -87.6 128.2 24.0 -13.7 10.8 133 135 A V + 0 0 7 -42,-2.4 4,-0.3 -2,-0.5 -41,-0.2 0.574 41.6 106.4-119.3 -31.5 20.2 -13.7 10.7 134 136 A S S S- 0 0 8 -43,-1.5 6,-0.2 2,-0.1 -41,-0.1 -0.179 77.2 -66.4 -52.3 146.2 19.6 -14.3 6.9 135 137 A N S S+ 0 0 29 -40,-0.4 -25,-0.1 1,-0.2 -1,-0.1 -0.682 119.5 31.3-101.4 153.0 18.5 -17.8 6.0 136 138 A P S > S- 0 0 2 0, 0.0 4,-2.7 0, 0.0 3,-0.4 0.243 82.4-173.4 -72.0 111.9 19.4 -20.6 6.0 137 139 A V H > S+ 0 0 0 -4,-0.3 4,-1.9 53,-0.2 5,-0.1 0.785 74.2 53.4 -47.9 -41.4 21.2 -19.1 9.0 138 140 A D H > S+ 0 0 2 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.939 115.1 39.7 -65.8 -45.4 23.4 -22.1 9.9 139 141 A I H > S+ 0 0 0 -3,-0.4 4,-2.4 1,-0.2 -2,-0.2 0.893 114.8 53.5 -70.0 -40.6 24.9 -22.4 6.4 140 142 A L H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.802 104.9 54.7 -66.7 -25.6 25.2 -18.6 6.0 141 143 A T H X S+ 0 0 0 -4,-1.9 4,-2.4 -5,-0.2 -1,-0.2 0.928 110.0 46.3 -70.7 -45.1 27.1 -18.3 9.3 142 144 A Y H X S+ 0 0 30 -4,-1.5 4,-2.7 2,-0.2 -2,-0.2 0.916 114.2 49.8 -57.5 -47.4 29.7 -20.9 7.9 143 145 A V H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.939 110.8 47.3 -57.0 -52.4 29.7 -18.9 4.6 144 146 A A H X S+ 0 0 0 -4,-2.8 4,-2.9 2,-0.2 6,-0.3 0.878 112.3 51.8 -57.0 -42.6 30.2 -15.5 6.4 145 147 A W H X S+ 0 0 43 -4,-2.4 4,-1.6 2,-0.2 5,-0.4 0.947 112.8 44.4 -60.0 -51.6 33.1 -17.2 8.5 146 148 A K H < S+ 0 0 101 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.928 118.9 41.8 -60.3 -49.6 34.8 -18.5 5.3 147 149 A I H < S+ 0 0 44 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.923 115.6 49.5 -65.2 -47.4 34.4 -15.2 3.3 148 150 A S H < S- 0 0 14 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.753 89.8-141.8 -62.3 -35.2 35.4 -12.9 6.2 149 151 A G < + 0 0 67 -4,-1.6 -3,-0.1 1,-0.3 -4,-0.1 0.525 51.6 146.3 76.9 7.4 38.5 -14.6 7.4 150 152 A F - 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0 0 22 -2,-0.3 2,-0.2 1,-0.1 6,-0.1 -0.396 30.7-141.6 -71.0 141.0 -3.3 9.5 2.7 428 100 B Q > - 0 0 144 1,-0.2 3,-2.0 4,-0.1 142,-0.1 -0.458 44.8 -71.7 -87.4 167.3 -1.6 9.0 -0.6 429 101 B E T 3 S+ 0 0 120 1,-0.3 -1,-0.2 -2,-0.2 3,-0.1 -0.405 127.3 18.3 -59.1 135.0 1.2 11.4 -1.9 430 102 B G T 3 S+ 0 0 86 1,-0.2 2,-0.5 -3,-0.1 -1,-0.3 0.514 103.1 115.3 76.2 8.1 -0.5 14.7 -2.8 431 103 B E < - 0 0 28 -3,-2.0 -1,-0.2 3,-0.0 2,-0.1 -0.938 63.4-131.3-112.9 128.8 -3.6 13.8 -0.7 432 104 B S > - 0 0 38 -2,-0.5 3,-1.5 1,-0.1 4,-0.3 -0.462 16.6-126.6 -74.7 148.5 -4.5 15.8 2.4 433 105 B R G > S+ 0 0 7 1,-0.3 3,-1.8 2,-0.2 4,-0.2 0.833 112.0 67.3 -58.8 -30.4 -5.3 13.9 5.6 434 106 B L G > S+ 0 0 29 1,-0.3 3,-1.2 2,-0.2 -1,-0.3 0.789 87.7 65.7 -63.5 -23.6 -8.5 16.0 5.5 435 107 B N G < S+ 0 0 103 -3,-1.5 4,-0.3 1,-0.2 -1,-0.3 0.617 91.3 64.8 -70.7 -13.5 -9.6 14.0 2.4 436 108 B L G <> S+ 0 0 0 -3,-1.8 4,-2.4 -4,-0.3 5,-0.2 0.506 74.6 100.3 -83.5 -10.6 -9.8 10.8 4.5 437 109 B V H <> S+ 0 0 13 -3,-1.2 4,-2.8 -4,-0.2 5,-0.2 0.872 78.5 43.4 -49.9 -57.4 -12.7 12.2 6.6 438 110 B Q H > S+ 0 0 77 -3,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.930 116.4 47.0 -61.5 -42.7 -15.7 10.4 5.0 439 111 B R H > S+ 0 0 103 -4,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.926 117.2 43.8 -62.0 -45.7 -14.1 7.0 4.8 440 112 B N H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.867 109.8 53.9 -73.2 -33.1 -12.8 7.1 8.4 441 113 B V H X S+ 0 0 0 -4,-2.8 4,-1.9 -5,-0.2 -1,-0.2 0.929 108.0 52.1 -62.4 -47.7 -16.0 8.5 10.0 442 114 B N H < S+ 0 0 96 -4,-2.0 4,-0.5 -5,-0.2 -2,-0.2 0.893 111.6 46.0 -56.4 -43.4 -17.9 5.6 8.4 443 115 B I H >X S+ 0 0 68 -4,-1.5 4,-2.4 1,-0.2 3,-1.2 0.889 110.0 54.6 -64.0 -42.4 -15.4 3.1 9.9 444 116 B F H 3X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.3 -2,-0.2 0.832 96.1 66.0 -64.3 -31.2 -15.6 5.0 13.3 445 117 B K H 3< S+ 0 0 81 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.744 112.8 34.2 -61.5 -27.2 -19.4 4.6 13.4 446 118 B F H <> S+ 0 0 130 -3,-1.2 4,-1.2 -4,-0.5 -2,-0.2 0.864 122.6 43.8 -90.1 -52.5 -18.8 0.8 13.7 447 119 B I H X S+ 0 0 10 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.926 106.9 57.2 -60.6 -53.6 -15.6 0.8 15.8 448 120 B I H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 5,-0.2 0.899 108.0 43.0 -51.7 -52.8 -16.4 3.4 18.4 449 121 B P H > S+ 0 0 58 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.880 116.2 50.9 -63.3 -35.7 -19.7 1.9 19.9 450 122 B N H X S+ 0 0 37 -4,-1.2 4,-0.5 2,-0.2 -2,-0.2 0.858 111.4 47.2 -67.8 -37.7 -18.0 -1.6 19.9 451 123 B V H >X S+ 0 0 0 -4,-2.4 3,-0.8 1,-0.2 4,-0.5 0.943 113.0 45.9 -67.1 -51.5 -14.9 -0.4 21.7 452 124 B V H >< S+ 0 0 29 -4,-2.1 3,-0.7 1,-0.2 -2,-0.2 0.808 98.9 73.1 -66.5 -30.2 -16.7 1.6 24.5 453 125 B K H 3< S+ 0 0 136 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.781 105.7 33.1 -50.0 -42.1 -19.2 -1.3 25.2 454 126 B Y H << S+ 0 0 69 -3,-0.8 -39,-2.6 -4,-0.5 -1,-0.2 0.463 112.6 58.7-102.4 -6.2 -16.6 -3.6 26.9 455 127 B S X< + 0 0 0 -3,-0.7 3,-1.7 -4,-0.5 -1,-0.2 -0.691 49.5 173.3-131.4 82.8 -14.3 -1.1 28.7 456 128 B P T 3 S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 -39,-0.1 0.758 85.5 44.5 -56.6 -31.4 -16.0 1.3 31.3 457 129 B Q T 3 S+ 0 0 105 -41,-0.3 2,-0.1 2,-0.1 -5,-0.0 0.248 88.8 125.2 -97.4 8.3 -12.7 2.7 32.5 458 130 B C < - 0 0 0 -3,-1.7 2,-0.4 -6,-0.2 -40,-0.3 -0.336 49.9-147.2 -75.8 152.9 -11.0 3.2 29.1 459 131 B K E -k 418 0F 12 -42,-1.2 -40,-2.6 -2,-0.1 2,-0.6 -0.886 22.8-132.3-102.3 145.3 -9.5 6.4 27.6 460 132 B L E -kl 419 485F 0 24,-3.4 26,-3.2 -2,-0.4 2,-0.6 -0.914 19.3-168.0-102.4 119.2 -9.8 6.6 23.8 461 133 B L E -kl 420 486F 0 -42,-2.9 -40,-2.7 -2,-0.6 2,-0.4 -0.941 9.5-154.5-111.3 110.2 -6.6 7.5 22.0 462 134 B I E +kl 421 487F 0 24,-3.5 26,-3.3 -2,-0.6 27,-0.3 -0.721 29.4 156.2 -89.4 127.1 -7.2 8.4 18.4 463 135 B V + 0 0 7 -42,-2.5 4,-0.2 -2,-0.4 -41,-0.2 0.640 44.5 99.9-116.4 -35.7 -4.3 7.9 15.8 464 136 B S S S- 0 0 11 -43,-1.4 6,-0.2 2,-0.1 24,-0.1 -0.148 79.1 -65.6 -49.5 152.8 -6.2 7.5 12.5 465 137 B N S S+ 0 0 24 -40,-0.4 -25,-0.1 1,-0.2 -40,-0.1 -0.751 117.8 34.3-111.3 151.5 -6.4 10.7 10.3 466 138 B P S > S- 0 0 2 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.248 82.2-173.6 -72.5 112.7 -7.5 13.5 10.2 467 139 B V H > S+ 0 0 0 53,-0.3 4,-1.6 -4,-0.2 5,-0.1 0.821 75.5 48.6 -49.9 -46.1 -6.7 12.9 13.8 468 140 B D H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.946 116.3 43.1 -62.9 -48.9 -8.2 16.2 15.2 469 141 B I H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.896 114.6 50.9 -62.2 -45.6 -11.5 15.7 13.3 470 142 B L H X S+ 0 0 0 -4,-2.9 4,-2.7 2,-0.2 -1,-0.2 0.734 105.4 55.7 -67.5 -23.2 -11.6 12.0 14.2 471 143 B T H X S+ 0 0 0 -4,-1.6 4,-2.2 -5,-0.2 -1,-0.2 0.920 110.0 46.1 -72.9 -40.5 -11.1 12.9 17.9 472 144 B Y H X S+ 0 0 23 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.939 114.6 49.1 -61.0 -45.6 -14.2 15.1 17.7 473 145 B V H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.3 0.914 111.3 47.2 -59.8 -49.9 -16.0 12.2 15.9 474 146 B A H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 6,-0.3 0.895 113.0 51.4 -62.0 -36.5 -14.9 9.6 18.5 475 147 B W H X S+ 0 0 42 -4,-2.2 4,-1.7 2,-0.2 5,-0.5 0.937 113.0 44.0 -64.5 -48.2 -16.1 12.1 21.2 476 148 B K H < S+ 0 0 95 -4,-2.8 -2,-0.2 2,-0.2 -1,-0.2 0.898 118.3 42.9 -63.7 -45.3 -19.5 12.6 19.6 477 149 B I H < S+ 0 0 45 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.913 117.3 45.3 -70.4 -44.2 -20.1 8.8 18.8 478 150 B S H < S- 0 0 18 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.813 91.6-141.5 -69.0 -32.1 -18.9 7.5 22.2 479 151 B G < + 0 0 67 -4,-1.7 -3,-0.1 -5,-0.2 -4,-0.1 0.673 49.5 151.8 72.1 18.5 -20.7 10.1 24.3 480 152 B F - 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