==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 22-AUG-08 2ZQY . COMPND 2 MOLECULE: L-LACTATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOBACILLUS CASEI; . AUTHOR K.ARAI,T.ISHIMITSU,S.FUSHINOBU,H.UCHIKOBA,H.MATSUZAWA, . 1234 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 46520.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 976 79.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 100 8.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 120 9.7 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 . 105 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 120 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 479 38.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 1.5 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 0 0 0 4 0 0 0 0 10 2 0 8 0 0 0 0 2 4 5 0 0 0 0 0 1 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 . 8 12 0 4 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 0 ANTIPARALLEL BRIDGES PER LADDER . 4 4 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 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 21 A Q 0 0 69 0, 0.0 25,-1.9 0, 0.0 26,-1.1 0.000 360.0 360.0 360.0 84.3 12.1 15.0 37.2 2 22 A K E -a 27 0A 16 65,-0.2 67,-2.5 24,-0.2 68,-1.9 -0.899 360.0-168.1-105.8 127.5 10.5 18.4 36.9 3 23 A V E -ab 28 70A 0 24,-3.0 26,-2.7 -2,-0.5 2,-0.6 -0.934 9.8-155.7-117.6 135.2 12.4 21.5 38.1 4 24 A I E -ab 29 71A 0 66,-3.3 68,-2.3 -2,-0.4 2,-0.6 -0.946 10.8-155.6-111.2 124.7 11.1 25.0 38.6 5 25 A L E -ab 30 72A 0 24,-3.5 26,-4.2 -2,-0.6 2,-0.6 -0.881 5.0-166.2-103.8 117.4 13.7 27.8 38.4 6 26 A V E +ab 31 73A 2 66,-2.9 68,-2.9 -2,-0.6 69,-1.2 -0.907 66.2 36.5-103.3 118.1 12.9 31.0 40.2 7 27 A G - 0 0 5 24,-3.0 25,-0.2 -2,-0.6 -1,-0.1 0.561 56.0-161.6 106.6 104.4 15.2 33.7 39.1 8 28 A D + 0 0 2 4,-0.2 -1,-0.1 22,-0.1 24,-0.1 -0.359 51.7 118.7-109.2 49.5 16.4 34.1 35.5 9 29 A G S > S- 0 0 36 -2,-0.1 4,-2.5 67,-0.0 5,-0.3 -0.045 89.8 -63.5 -93.7-157.7 19.4 36.3 36.2 10 30 A A H > S+ 0 0 50 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.899 138.1 42.2 -59.4 -40.6 23.0 35.5 35.5 11 31 A V H > S+ 0 0 35 2,-0.2 4,-3.0 3,-0.2 -1,-0.2 0.948 116.0 45.7 -72.0 -50.1 23.0 32.6 38.0 12 32 A G H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.919 115.0 48.8 -58.7 -44.1 19.6 31.2 37.1 13 33 A S H X S+ 0 0 6 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.936 114.2 44.3 -60.8 -50.1 20.3 31.4 33.4 14 34 A S H X S+ 0 0 4 -4,-1.9 4,-2.8 -5,-0.3 -1,-0.2 0.893 110.4 57.7 -62.8 -39.6 23.7 29.8 33.8 15 35 A Y H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.937 108.5 44.2 -54.8 -51.9 22.2 27.1 36.0 16 36 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.879 112.0 53.0 -62.1 -39.6 19.7 26.1 33.4 17 37 A Y H X S+ 0 0 1 -4,-2.0 4,-3.0 2,-0.2 5,-0.3 0.913 109.5 49.4 -63.6 -41.0 22.4 26.1 30.7 18 38 A A H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.925 110.9 49.9 -61.6 -44.7 24.4 23.8 33.0 19 39 A M H X>S+ 0 0 0 -4,-2.5 5,-2.4 2,-0.2 4,-0.8 0.882 112.5 48.5 -60.6 -39.5 21.4 21.6 33.4 20 40 A V H ><5S+ 0 0 0 -4,-2.5 3,-0.7 3,-0.2 33,-0.4 0.962 115.5 41.3 -65.9 -54.2 20.9 21.5 29.7 21 41 A L H 3<5S+ 0 0 17 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.895 118.2 46.8 -63.7 -40.4 24.5 20.7 28.8 22 42 A Q H 3<5S- 0 0 64 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.575 108.5-121.3 -81.1 -6.9 25.0 18.2 31.6 23 43 A G T <<5 + 0 0 34 -4,-0.8 2,-0.5 -3,-0.7 -3,-0.2 0.929 54.3 155.0 69.6 47.3 21.7 16.3 30.9 24 44 A I < - 0 0 6 -5,-2.4 -1,-0.2 -6,-0.1 -2,-0.1 -0.943 50.0 -1.6-115.5 123.2 20.0 16.8 34.3 25 45 A A - 0 0 8 -2,-0.5 -23,-0.1 1,-0.1 3,-0.1 0.209 64.3-120.3 81.7 155.5 16.2 16.8 34.7 26 46 A Q S S+ 0 0 104 -25,-1.9 30,-1.6 1,-0.3 2,-0.3 0.494 91.3 31.8-104.8 -6.6 13.7 16.3 31.9 27 47 A E E -ac 2 56A 42 -26,-1.1 -24,-3.0 28,-0.2 2,-0.5 -0.947 56.0-173.1-157.7 130.5 11.8 19.6 32.3 28 48 A I E -ac 3 57A 0 28,-3.1 30,-1.8 -2,-0.3 2,-0.6 -0.982 5.8-165.6-128.2 121.7 12.7 23.1 33.5 29 49 A G E -ac 4 58A 0 -26,-2.7 -24,-3.5 -2,-0.5 2,-0.5 -0.927 16.7-149.1-102.9 122.7 10.1 25.8 34.0 30 50 A I E -ac 5 59A 0 28,-3.1 30,-3.3 -2,-0.6 2,-0.5 -0.847 12.9-168.3 -98.0 125.6 11.8 29.1 34.3 31 51 A V E +a 6 0A 7 -26,-4.2 -24,-3.0 -2,-0.5 2,-0.3 -0.954 21.6 139.4-119.8 120.4 10.1 31.7 36.5 32 52 A D - 0 0 38 -2,-0.5 6,-0.1 28,-0.4 -2,-0.0 -0.987 59.2-114.4-153.7 153.4 11.0 35.4 36.6 33 53 A I S S+ 0 0 140 -2,-0.3 2,-1.2 1,-0.2 -1,-0.1 0.798 106.8 72.3 -59.5 -28.3 9.2 38.7 36.8 34 54 A F > - 0 0 145 1,-0.2 4,-1.9 2,-0.1 5,-0.2 -0.725 65.3-177.7 -92.5 91.4 10.5 39.4 33.3 35 55 A K H > S+ 0 0 69 -2,-1.2 4,-2.2 1,-0.2 -1,-0.2 0.913 77.4 54.0 -54.0 -50.4 8.4 37.2 31.2 36 56 A D H > S+ 0 0 90 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.900 107.4 49.9 -52.5 -50.1 10.1 38.0 27.9 37 57 A K H > S+ 0 0 58 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.942 113.1 46.3 -56.0 -50.1 13.6 37.2 29.1 38 58 A T H X S+ 0 0 0 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.827 113.6 51.4 -62.5 -31.2 12.4 33.8 30.5 39 59 A K H X S+ 0 0 86 -4,-2.2 4,-1.3 -5,-0.2 -2,-0.2 0.950 114.9 38.8 -71.8 -49.9 10.6 33.3 27.2 40 60 A G H X S+ 0 0 0 -4,-3.2 4,-2.5 1,-0.2 -2,-0.2 0.839 114.1 56.7 -68.7 -32.0 13.6 34.0 24.9 41 61 A D H X S+ 0 0 0 -4,-2.7 4,-2.3 -5,-0.3 -1,-0.2 0.851 105.3 51.2 -66.3 -35.0 15.9 32.2 27.4 42 62 A A H X S+ 0 0 6 -4,-1.4 4,-1.7 -5,-0.2 -1,-0.2 0.810 112.5 46.2 -71.7 -32.4 13.8 29.1 27.1 43 63 A I H X S+ 0 0 54 -4,-1.3 4,-1.2 2,-0.2 -2,-0.2 0.878 112.7 48.2 -77.9 -40.5 14.0 29.2 23.3 44 64 A D H >< S+ 0 0 0 -4,-2.5 3,-0.8 2,-0.2 4,-0.5 0.971 114.7 47.0 -62.9 -52.2 17.8 29.9 23.2 45 65 A L H >X S+ 0 0 0 -4,-2.3 3,-2.0 1,-0.3 4,-0.6 0.905 107.1 56.3 -54.9 -47.0 18.3 27.1 25.6 46 66 A S H >< S+ 0 0 25 -4,-1.7 3,-0.6 1,-0.3 -1,-0.3 0.769 99.1 61.0 -59.0 -28.0 16.1 24.7 23.7 47 67 A N T << S+ 0 0 17 -4,-1.2 -1,-0.3 -3,-0.8 -2,-0.2 0.656 99.9 56.9 -73.1 -14.3 18.2 25.2 20.6 48 68 A A T X4 S+ 0 0 0 -3,-2.0 3,-1.5 -4,-0.5 4,-0.2 0.670 87.1 82.0 -88.1 -17.8 21.1 23.8 22.6 49 69 A L G X< S+ 0 0 7 -3,-0.6 3,-2.1 -4,-0.6 -1,-0.2 0.822 75.4 67.4 -59.1 -35.8 19.1 20.6 23.2 50 70 A P G 3 S+ 0 0 27 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.748 102.5 49.9 -61.0 -15.6 20.0 18.9 19.9 51 71 A F G < S+ 0 0 51 -3,-1.5 -2,-0.2 2,-0.1 2,-0.2 0.473 120.3 32.2 -97.1 -3.9 23.6 18.7 21.1 52 72 A T S < S- 0 0 29 -3,-2.1 -31,-0.1 -4,-0.2 -30,-0.1 -0.564 106.5 -58.1-133.5-165.5 22.6 17.2 24.5 53 73 A S S S- 0 0 55 -33,-0.4 -1,-0.1 -2,-0.2 -30,-0.1 -0.485 70.2 -87.6 -79.3 157.2 20.0 14.9 25.9 54 75 A P + 0 0 96 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.283 52.9 163.2 -66.7 150.6 16.3 16.0 25.4 55 76 A K - 0 0 18 -9,-0.1 2,-0.6 -3,-0.1 -28,-0.2 -0.959 35.8-120.2-157.8 162.3 14.6 18.3 27.9 56 77 A K E -c 27 0A 122 -30,-1.6 -28,-3.1 -2,-0.3 2,-0.4 -0.964 32.9-179.9-115.9 118.7 11.5 20.5 28.0 57 78 A I E +c 28 0A 15 -2,-0.6 2,-0.3 -30,-0.2 -28,-0.2 -0.951 11.0 145.2-122.0 138.6 12.1 24.2 28.7 58 79 A Y E -c 29 0A 42 -30,-1.8 -28,-3.1 -2,-0.4 2,-0.5 -0.991 53.2 -90.0-164.4 160.2 9.6 27.0 29.0 59 80 A S E -c 30 0A 23 -2,-0.3 -28,-0.2 -30,-0.2 2,-0.2 -0.658 56.7-171.1 -76.1 120.4 8.7 30.2 30.7 60 81 A A - 0 0 2 -30,-3.3 -28,-0.4 -2,-0.5 2,-0.3 -0.498 23.1-132.9-111.9 179.9 6.6 29.2 33.8 61 82 A E > - 0 0 92 -2,-0.2 3,-3.7 -30,-0.1 4,-0.3 -0.930 39.3-103.3-127.1 149.6 4.5 30.7 36.5 62 83 A Y G > S+ 0 0 58 -2,-0.3 3,-2.2 1,-0.3 42,-0.1 0.809 120.5 66.1 -41.2 -38.5 4.8 29.7 40.2 63 84 A S G > S+ 0 0 77 1,-0.3 3,-1.4 2,-0.2 -1,-0.3 0.691 84.6 71.1 -61.0 -20.4 1.7 27.6 39.7 64 85 A D G X S+ 0 0 50 -3,-3.7 3,-0.6 1,-0.3 -1,-0.3 0.611 82.1 74.8 -70.9 -11.0 3.6 25.3 37.4 65 86 A A G X + 0 0 0 -3,-2.2 3,-1.4 -4,-0.3 -1,-0.3 0.444 65.9 98.9 -80.6 0.1 5.4 24.1 40.6 66 87 A K G < S+ 0 0 133 -3,-1.4 41,-0.4 1,-0.3 -1,-0.2 0.912 98.1 22.8 -51.8 -50.1 2.3 22.1 41.5 67 88 A D G < S+ 0 0 102 -3,-0.6 -1,-0.3 -4,-0.2 2,-0.2 -0.024 97.9 131.4-108.4 27.5 3.8 18.9 40.2 68 89 A A < - 0 0 6 -3,-1.4 39,-0.3 1,-0.1 -65,-0.2 -0.578 44.8-160.8 -83.8 142.9 7.4 20.0 40.4 69 90 A D S S+ 0 0 80 -67,-2.5 40,-2.4 1,-0.3 2,-0.4 0.783 78.7 28.2 -88.6 -30.9 10.0 17.7 42.1 70 91 A L E -bd 3 109A 0 -68,-1.9 -66,-3.3 38,-0.2 2,-0.5 -0.996 57.5-166.8-139.4 136.4 12.5 20.5 42.6 71 92 A V E -bd 4 110A 0 38,-2.7 40,-2.9 -2,-0.4 2,-0.5 -0.963 10.7-166.8-123.8 112.3 12.3 24.3 43.2 72 93 A V E -bd 5 111A 0 -68,-2.3 -66,-2.9 -2,-0.5 2,-0.7 -0.888 5.4-157.5-103.5 124.1 15.6 26.2 42.9 73 94 A I E +bd 6 112A 2 38,-2.0 40,-3.3 -2,-0.5 41,-1.5 -0.879 32.9 146.9-106.4 105.8 15.5 29.8 44.3 74 95 A T + 0 0 20 -68,-2.9 -67,-0.2 -2,-0.7 41,-0.2 0.576 34.3 127.0-108.7 -18.0 18.2 32.1 42.8 75 96 A A + 0 0 20 -69,-1.2 40,-0.1 39,-0.1 2,-0.1 0.125 26.6 100.9 -41.5 151.5 16.2 35.3 42.9 76 97 A G - 0 0 36 38,-0.1 14,-0.1 17,-0.1 39,-0.0 -0.183 69.1 -98.8 134.2 132.6 17.6 38.4 44.5 77 98 A A 0 0 46 1,-0.1 12,-0.1 9,-0.1 13,-0.0 -0.610 360.0 360.0 -77.6 130.9 19.3 41.6 43.5 78 99 A P 0 0 140 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.991 360.0 360.0 -63.7 360.0 23.1 41.5 43.8 79 ! 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 80 103 A G 0 0 134 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 99.5 26.8 50.1 47.6 81 104 A E - 0 0 105 -3,-0.1 2,-0.3 3,-0.0 5,-0.1 -0.724 360.0-134.9-104.9 150.3 24.7 47.8 49.8 82 105 A T - 0 0 84 -2,-0.3 4,-0.1 1,-0.1 5,-0.1 -0.698 21.2-131.1 -93.0 151.0 24.9 46.7 53.4 83 106 A R S >> S+ 0 0 96 -2,-0.3 4,-3.4 2,-0.2 3,-1.2 0.893 106.2 57.2 -72.7 -37.4 24.4 42.9 53.9 84 107 A L H 3> S+ 0 0 79 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.937 113.0 40.5 -55.9 -46.9 21.9 43.5 56.7 85 108 A D H 3> S+ 0 0 95 2,-0.2 4,-0.6 1,-0.2 -1,-0.3 0.433 113.1 57.1 -81.2 0.1 19.8 45.6 54.4 86 109 A L H <> S+ 0 0 32 -3,-1.2 4,-1.1 2,-0.2 -2,-0.2 0.813 104.7 50.5 -91.9 -43.7 20.5 43.1 51.7 87 110 A V H X S+ 0 0 0 -4,-3.4 4,-1.3 1,-0.2 3,-0.4 0.907 109.6 52.7 -58.1 -44.2 19.1 40.3 53.8 88 111 A N H X S+ 0 0 52 -4,-1.7 4,-1.3 1,-0.2 -1,-0.2 0.847 107.9 47.6 -64.1 -38.6 16.0 42.3 54.4 89 112 A K H X S+ 0 0 64 -4,-0.6 4,-1.1 1,-0.2 -1,-0.2 0.677 114.8 48.4 -78.0 -15.3 15.2 43.0 50.7 90 113 A N H X S+ 0 0 8 -4,-1.1 4,-2.1 -3,-0.4 -2,-0.2 0.630 104.5 56.8 -96.3 -17.8 15.7 39.3 50.0 91 114 A L H X S+ 0 0 19 -4,-1.3 4,-2.0 2,-0.2 -2,-0.2 0.850 109.9 47.7 -77.4 -35.2 13.5 38.0 52.8 92 115 A K H X S+ 0 0 159 -4,-1.3 4,-1.7 2,-0.2 -2,-0.2 0.941 114.5 44.6 -68.2 -47.6 10.7 40.1 51.3 93 116 A I H X S+ 0 0 57 -4,-1.1 4,-0.7 1,-0.2 -2,-0.2 0.924 110.7 55.7 -61.7 -42.2 11.5 38.8 47.8 94 117 A L H >X S+ 0 0 4 -4,-2.1 4,-3.0 1,-0.2 3,-1.0 0.894 104.8 53.4 -56.4 -41.8 11.8 35.3 49.3 95 118 A K H 3X S+ 0 0 89 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.893 103.6 54.8 -60.2 -44.5 8.3 35.7 50.7 96 119 A S H 3< S+ 0 0 63 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.602 116.7 39.4 -66.9 -11.6 6.7 36.6 47.3 97 120 A I H S+ 0 0 40 0, 0.0 4,-0.6 0, 0.0 -1,-0.2 0.812 115.1 53.5 -55.7 -32.6 2.7 31.1 45.8 101 124 A I H ><>S+ 0 0 0 -4,-1.7 5,-1.0 1,-0.2 3,-0.6 0.895 110.2 48.4 -68.9 -37.6 4.9 28.1 45.1 102 125 A V H ><5S+ 0 0 40 -4,-2.7 3,-1.4 -3,-0.4 -1,-0.2 0.898 107.7 54.9 -67.7 -39.4 3.6 26.5 48.3 103 126 A D H 3<5S+ 0 0 130 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.597 93.6 69.5 -70.3 -12.8 -0.0 27.2 47.3 104 127 A S T <<5S- 0 0 14 -4,-0.6 -1,-0.3 -3,-0.6 -2,-0.2 0.671 119.5-106.7 -78.7 -14.2 0.4 25.4 44.0 105 128 A G T < 5 + 0 0 36 -3,-1.4 -3,-0.1 -4,-0.3 -2,-0.1 0.348 59.7 166.1 105.2 -4.1 0.6 22.2 46.0 106 129 A F < + 0 0 3 -5,-1.0 -1,-0.3 1,-0.2 -40,-0.1 -0.225 8.1 169.6 -48.0 111.2 4.3 21.8 45.4 107 130 A N + 0 0 120 -41,-0.4 -1,-0.2 -39,-0.3 -41,-0.1 -0.125 44.2 99.1-118.8 38.0 5.4 19.1 47.9 108 131 A G S S- 0 0 8 -43,-0.2 2,-0.3 -40,-0.1 -38,-0.2 0.101 78.5 -55.7 -99.7-147.2 8.9 18.6 46.5 109 132 A I E -d 70 0A 2 -40,-2.4 -38,-2.7 163,-0.1 2,-0.5 -0.765 36.5-143.0-105.4 146.3 12.3 19.9 47.5 110 133 A F E -de 71 135A 0 24,-3.0 26,-3.7 -2,-0.3 2,-0.5 -0.908 13.2-175.3-106.2 128.3 13.6 23.4 48.0 111 134 A L E -de 72 136A 0 -40,-2.9 -38,-2.0 -2,-0.5 2,-0.4 -0.919 12.0-162.1-124.3 102.0 17.2 24.3 46.9 112 135 A V E +de 73 137A 0 24,-2.9 26,-1.8 -2,-0.5 -38,-0.2 -0.715 24.4 162.3 -90.8 132.8 18.0 27.9 47.8 113 136 A A + 0 0 9 -40,-3.3 -39,-0.2 -2,-0.4 4,-0.2 0.478 38.5 117.0-121.5 -11.8 21.0 29.6 46.1 114 137 A A S S- 0 0 9 -41,-1.5 6,-0.2 2,-0.1 7,-0.1 -0.214 71.5 -74.9 -58.1 149.5 20.1 33.3 46.9 115 138 A N S S+ 0 0 88 1,-0.3 -1,-0.1 -41,-0.2 -2,-0.1 -0.823 120.1 34.2-107.7 142.4 22.6 35.1 49.1 116 139 A P S > S- 0 0 16 0, 0.0 4,-2.9 0, 0.0 -1,-0.3 0.324 83.5-174.5 -74.1 126.0 23.2 35.0 52.0 117 140 A V H > S+ 0 0 1 -4,-0.2 4,-2.9 1,-0.2 5,-0.3 0.932 75.7 49.9 -56.0 -57.9 22.3 31.3 51.4 118 141 A D H > S+ 0 0 1 2,-0.2 4,-1.7 1,-0.2 145,-0.3 0.902 117.3 42.4 -51.1 -46.0 22.4 30.0 55.0 119 142 A I H > S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.967 118.1 44.5 -65.4 -53.1 20.2 32.8 56.2 120 143 A L H X S+ 0 0 1 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.726 109.7 56.6 -64.6 -24.5 17.8 32.7 53.3 121 144 A T H X S+ 0 0 0 -4,-2.9 4,-2.0 -5,-0.2 -1,-0.2 0.902 106.8 49.2 -72.7 -40.8 17.7 28.9 53.4 122 145 A Y H X S+ 0 0 31 -4,-1.7 4,-2.1 -5,-0.3 -2,-0.2 0.842 109.8 54.4 -63.9 -33.3 16.5 29.2 57.1 123 146 A A H X S+ 0 0 0 -4,-1.6 4,-3.3 2,-0.2 -2,-0.2 0.893 104.8 51.2 -67.6 -42.4 14.0 31.7 55.7 124 147 A T H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 5,-0.3 0.919 109.2 52.2 -61.5 -44.6 12.6 29.3 53.2 125 148 A W H X S+ 0 0 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S+ 0 0 21 -4,-2.5 4,-1.6 -5,-0.3 -2,-0.2 0.905 115.6 40.4 -52.3 -45.9 34.8 21.4 45.5 146 169 A R H X S+ 0 0 23 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.831 113.2 54.9 -73.2 -33.9 37.3 24.0 44.4 147 170 A F H X S+ 0 0 0 -4,-2.4 4,-1.8 -5,-0.3 -2,-0.2 0.936 110.3 46.0 -64.6 -45.9 39.2 23.7 47.6 148 171 A R H X S+ 0 0 57 -4,-3.4 4,-2.1 1,-0.2 -2,-0.2 0.869 110.4 54.1 -63.6 -39.4 39.6 19.9 47.0 149 172 A Q H X S+ 0 0 38 -4,-1.6 4,-2.1 -5,-0.3 -1,-0.2 0.901 108.4 48.6 -62.4 -42.5 40.6 20.5 43.4 150 173 A S H X S+ 0 0 20 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.847 109.8 51.0 -67.8 -35.8 43.4 22.9 44.4 151 174 A I H X S+ 0 0 2 -4,-1.8 4,-3.2 1,-0.2 5,-0.3 0.914 109.8 53.0 -66.7 -39.7 44.8 20.6 47.0 152 175 A A H X>S+ 0 0 5 -4,-2.1 4,-2.2 2,-0.2 5,-1.4 0.908 110.3 45.2 -61.6 -44.9 44.8 17.9 44.3 153 176 A E H <5S+ 0 0 109 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.978 117.3 43.8 -64.1 -54.2 46.7 20.0 41.8 154 177 A M H <5S+ 0 0 69 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.924 122.4 38.8 -55.1 -48.7 49.3 21.1 44.4 155 178 A V H <5S- 0 0 13 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.2 0.707 104.3-133.7 -75.6 -22.5 49.5 17.6 45.9 156 179 A N T <5 + 0 0 76 -4,-2.2 2,-0.3 -5,-0.3 -3,-0.2 0.937 61.8 121.1 64.6 53.9 49.4 15.9 42.4 157 180 A V S - 0 0 33 1019,-3.7 3,-2.2 -2,-0.3 4,-0.4 -0.129 37.3-131.6 -43.9 120.2 43.4 12.7 41.6 159 182 A A G > S+ 0 0 21 1,-0.3 3,-1.6 2,-0.2 -1,-0.2 0.732 99.6 74.8 -48.4 -30.1 41.0 15.0 43.4 160 183 A R G 3 S+ 0 0 149 1,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.837 100.6 43.9 -56.2 -31.2 38.4 12.1 43.8 161 184 A S G < S+ 0 0 20 -3,-2.2 23,-2.3 2,-0.0 2,-0.7 0.504 92.6 102.2 -89.6 -6.4 40.7 10.8 46.6 162 185 A V E < -J 183 0B 1 -3,-1.6 2,-0.6 -4,-0.4 21,-0.2 -0.710 55.3-167.8 -84.2 117.2 41.2 14.3 48.1 163 186 A H E +J 182 0B 18 19,-3.5 19,-3.0 -2,-0.7 2,-0.3 -0.911 24.6 132.1-112.3 118.0 39.0 14.7 51.1 164 187 A A - 0 0 1 -2,-0.6 2,-0.4 17,-0.2 -16,-0.1 -0.984 30.6-154.3-157.4 154.8 38.5 18.2 52.7 165 188 A Y - 0 0 16 -2,-0.3 12,-2.4 12,-0.2 2,-0.5 -0.991 9.2-158.6-138.6 145.4 35.6 20.3 53.9 166 189 A I E +L 176 0C 0 -2,-0.4 2,-0.2 10,-0.2 -22,-0.2 -0.993 31.5 177.8-118.0 126.6 34.9 24.0 54.3 167 190 A M E +L 175 0C 0 8,-2.4 8,-2.0 -2,-0.5 99,-0.2 -0.756 26.9 54.0-128.2 175.7 32.1 24.5 56.9 168 191 A G B S-G 265 0A 0 97,-2.1 97,-0.9 -2,-0.2 6,-0.2 -0.480 99.2 -11.1 96.2-171.7 30.1 27.2 58.6 169 192 A E S S- 0 0 4 4,-0.2 2,-0.3 122,-0.2 4,-0.1 -0.404 79.1-111.3 -62.1 133.6 28.2 30.1 57.1 170 193 A H S S+ 0 0 51 3,-0.1 2,-0.4 -2,-0.1 -52,-0.2 -0.534 86.8 36.3 -66.0 127.8 29.1 30.4 53.4 171 194 A G S > S- 0 0 26 -2,-0.3 3,-1.3 1,-0.1 0, 0.0 -0.977 114.7 -5.1 135.9-147.7 31.1 33.6 53.1 172 195 A D T 3 S+ 0 0 132 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.1 0.803 129.4 45.2 -55.1 -40.4 33.6 35.5 55.1 173 196 A T T 3 S+ 0 0 52 -3,-0.1 -1,-0.2 121,-0.1 121,-0.2 0.311 80.9 119.4 -93.1 7.4 33.6 33.3 58.2 174 197 A E < - 0 0 4 -3,-1.3 -6,-0.2 -6,-0.2 -4,-0.1 -0.431 45.0-164.8 -72.1 150.7 33.7 29.9 56.6 175 198 A F E -L 167 0C 12 -8,-2.0 -8,-2.4 -2,-0.1 2,-0.3 -0.955 18.9-115.4-139.2 156.4 36.7 27.8 57.5 176 199 A P E -L 166 0C 15 0, 0.0 2,-1.3 0, 0.0 -10,-0.2 -0.681 19.4-134.4 -92.1 142.3 38.6 24.7 56.3 177 200 A V >> + 0 0 2 -12,-2.4 4,-2.0 -2,-0.3 3,-0.5 -0.559 35.8 167.1 -92.9 69.3 38.8 21.5 58.5 178 201 A W T 34 + 0 0 63 -2,-1.3 10,-0.6 1,-0.2 11,-0.3 0.861 67.1 61.7 -52.0 -41.9 42.6 21.0 58.0 179 202 A S T 34 S+ 0 0 44 1,-0.2 -1,-0.2 -3,-0.2 10,-0.2 0.892 114.7 30.7 -54.1 -47.3 42.8 18.4 60.8 180 203 A H T <4 S+ 0 0 49 -3,-0.5 -1,-0.2 102,-0.1 -2,-0.2 0.702 93.6 111.7 -86.1 -23.4 40.4 15.9 59.2 181 204 A A < + 0 0 3 -4,-2.0 7,-1.9 -16,-0.1 2,-0.3 -0.237 49.0 175.9 -52.6 136.5 41.3 16.8 55.6 182 205 A N E -JK 163 187B 13 -19,-3.0 -19,-3.5 5,-0.3 2,-0.6 -0.975 36.0-134.9-149.3 161.5 43.1 13.9 53.9 183 206 A I E > S-JK 162 186B 0 3,-3.3 3,-1.5 -2,-0.3 -21,-0.2 -0.931 94.4 -23.4-119.2 104.2 44.7 12.5 50.7 184 207 A G T 3 S- 0 0 0 -23,-2.3 -22,-0.1 -2,-0.6 3,-0.1 0.509 131.8 -47.5 73.3 2.6 43.8 8.9 50.0 185 208 A G T 3 S+ 0 0 7 1,-0.4 2,-0.5 -24,-0.3 -1,-0.3 0.229 115.3 114.8 119.9 -11.3 43.2 8.6 53.7 186 209 A V E < S-K 183 0B 18 -3,-1.5 -3,-3.3 1028,-0.1 -1,-0.4 -0.816 70.6-114.7 -94.3 126.0 46.4 10.3 54.9 187 210 A T E > -K 182 0B 48 -2,-0.5 4,-2.0 -5,-0.3 -5,-0.3 -0.038 20.4-118.4 -52.4 157.3 45.9 13.6 56.8 188 211 A I H > S+ 0 0 11 -7,-1.9 4,-3.0 -10,-0.6 5,-0.2 0.963 116.7 55.5 -63.9 -46.6 47.2 16.7 55.2 189 212 A A H > S+ 0 0 58 -11,-0.3 4,-1.7 -8,-0.3 -1,-0.2 0.919 110.9 42.9 -48.0 -54.3 49.5 17.1 58.2 190 213 A E H > S+ 0 0 98 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.824 111.6 54.9 -64.6 -32.8 51.0 13.7 57.7 191 214 A W H X S+ 0 0 11 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.925 106.8 51.5 -67.6 -41.3 51.2 14.2 54.0 192 215 A V H < S+ 0 0 18 -4,-3.0 6,-0.2 2,-0.2 -2,-0.2 0.866 107.2 52.4 -61.9 -39.3 53.2 17.4 54.5 193 216 A K H < S+ 0 0 144 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.980 113.4 43.3 -59.7 -55.2 55.7 15.6 56.8 194 217 A A H < S+ 0 0 68 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.813 126.9 35.5 -58.8 -33.1 56.3 12.9 54.2 195 218 A H >< + 0 0 50 -4,-2.1 3,-1.3 -5,-0.2 -1,-0.3 -0.822 62.6 175.0-129.6 92.2 56.5 15.7 51.6 196 219 A P T 3 S+ 0 0 74 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.699 70.2 84.2 -66.6 -21.6 58.0 18.9 52.8 197 220 A E T 3 S+ 0 0 124 2,-0.1 2,-0.5 -5,-0.0 -5,-0.1 0.791 77.8 81.1 -52.7 -28.0 57.8 20.4 49.3 198 221 A I S < S- 0 0 21 -3,-1.3 2,-0.3 -6,-0.2 -3,-0.1 -0.720 76.5-154.9 -83.3 125.0 54.3 21.3 50.4 199 222 A K > - 0 0 88 -2,-0.5 4,-2.3 1,-0.1 5,-0.2 -0.783 22.7-138.0-105.4 147.1 54.3 24.5 52.5 200 223 A E H > S+ 0 0 123 -2,-0.3 4,-3.2 1,-0.2 5,-0.2 0.805 107.4 58.5 -68.3 -28.7 51.8 25.6 55.1 201 224 A D H > S+ 0 0 129 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.883 109.0 44.6 -66.5 -37.9 52.0 29.1 53.6 202 225 A K H > S+ 0 0 109 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.911 116.8 45.1 -70.8 -44.7 50.9 27.8 50.3 203 226 A L H X S+ 0 0 8 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.900 115.1 48.1 -66.5 -41.8 48.1 25.7 51.8 204 227 A V H X S+ 0 0 67 -4,-3.2 4,-1.5 1,-0.2 -2,-0.2 0.917 112.9 45.8 -67.0 -45.0 47.0 28.5 54.1 205 228 A K H X S+ 0 0 121 -4,-2.1 4,-3.0 -5,-0.2 -1,-0.2 0.838 106.5 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130.1 -42.4 62.0 22.7 26.8 12.6 4.6 494 208 B G T 3 S+ 0 0 6 1,-0.3 2,-0.6 -24,-0.3 -1,-0.3 0.326 117.4 108.2 106.7 -9.3 24.2 12.9 1.8 495 209 B V E < S-W 492 0E 16 -3,-1.6 -3,-3.6 404,-0.1 -1,-0.3 -0.925 72.5-117.5-107.1 123.8 26.5 12.0 -1.1 496 210 B T E > -W 491 0E 48 -2,-0.6 4,-2.5 -5,-0.3 -5,-0.3 -0.113 17.7-120.5 -53.7 147.8 26.0 8.6 -2.7 497 211 B I H > S+ 0 0 11 -7,-2.3 4,-2.3 -10,-0.5 5,-0.2 0.918 117.1 55.6 -57.3 -40.6 28.9 6.1 -2.6 498 212 B A H > S+ 0 0 45 -8,-0.3 4,-2.4 -11,-0.3 -1,-0.2 0.939 110.1 43.0 -55.7 -50.7 28.7 6.2 -6.4 499 213 B E H > S+ 0 0 92 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.839 110.9 56.4 -66.2 -32.8 29.2 10.0 -6.5 500 214 B W H X S+ 0 0 11 -4,-2.5 4,-1.0 2,-0.2 -1,-0.2 0.870 110.0 45.3 -66.8 -36.7 31.9 9.8 -3.8 501 215 B V H < S+ 0 0 18 -4,-2.3 3,-0.4 2,-0.2 6,-0.2 0.931 110.9 51.7 -71.6 -47.5 33.9 7.4 -6.0 502 216 B K H < S+ 0 0 155 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.883 118.0 40.5 -54.8 -37.6 33.3 9.5 -9.2 503 217 B A H < S+ 0 0 65 -4,-2.0 -1,-0.2 1,-0.3 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44 -2,-0.4 4,-4.2 -5,-0.3 -5,-0.3 -0.309 11.9-128.4 -68.2 145.5 33.8 6.5 61.0 1121 211 D I H > S+ 0 0 10 -7,-1.6 4,-3.2 -10,-0.4 5,-0.2 0.948 116.7 49.9 -56.3 -46.4 32.0 3.1 60.3 1122 212 D A H > S+ 0 0 65 -11,-0.4 4,-1.8 -8,-0.3 -1,-0.2 0.928 115.5 41.8 -57.0 -47.4 32.2 2.7 64.1 1123 213 D E H > S+ 0 0 123 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.866 113.2 54.2 -68.2 -36.8 30.7 6.1 64.6 1124 214 D W H X S+ 0 0 7 -4,-4.2 4,-0.6 1,-0.2 3,-0.3 0.937 106.5 51.1 -63.6 -46.8 28.2 5.6 61.8 1125 215 D V H >< S+ 0 0 33 -4,-3.2 3,-1.8 1,-0.2 6,-0.3 0.933 103.3 60.1 -55.3 -48.6 27.0 2.4 63.4 1126 216 D K H 3< S+ 0 0 181 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.880 110.8 39.6 -47.7 -47.2 26.5 4.1 66.7 1127 217 D A H 3< S+ 0 0 72 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.485 119.6 50.6 -83.1 -3.4 24.0 6.6 65.2 1128 218 D H X< + 0 0 57 -3,-1.8 3,-1.8 -4,-0.6 -1,-0.2 -0.701 64.5 179.7-137.3 82.3 22.4 3.9 63.1 1129 219 D P T 3 S+ 0 0 87 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.830 74.7 69.7 -50.2 -42.6 21.5 0.9 65.2 1130 220 D E T 3 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