==== 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 HYDROLASE 10-APR-07 2PGN . COMPND 2 MOLECULE: CYCLOHEXANE-1,2-DIONE HYDROLASE (CDH); . SOURCE 2 ORGANISM_SCIENTIFIC: AZOARCUS SP.; . AUTHOR S.FRAAS,E.WARKENTIN,U.ERMLER . 1174 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40161.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 809 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 163 13.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 1.0 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 . 1 0.1 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 . 93 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 146 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 336 28.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 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 2 0 4 4 4 4 2 12 2 2 0 2 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 3 4 10 8 2 2 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 . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 0 6 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 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 71 0, 0.0 171,-2.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 136.6 58.7 45.2 70.3 2 3 A I E +A 171 0A 92 169,-0.2 2,-0.3 170,-0.1 169,-0.2 -0.450 360.0 171.0 -69.7 130.2 61.0 42.4 69.2 3 4 A K E -A 170 0A 60 167,-2.1 167,-2.1 -2,-0.2 2,-0.2 -0.980 33.4-113.0-139.4 146.9 60.1 41.1 65.7 4 5 A R E >> -A 169 0A 41 -2,-0.3 4,-2.0 165,-0.2 3,-0.6 -0.518 29.8-117.4 -69.2 149.7 61.7 38.7 63.2 5 6 A G H 3> S+ 0 0 0 163,-2.5 4,-2.1 160,-0.5 161,-0.2 0.891 117.1 59.1 -55.5 -37.1 63.0 40.1 59.9 6 7 A A H 3> S+ 0 0 0 160,-2.5 4,-1.7 162,-0.2 -1,-0.2 0.886 105.2 47.8 -57.3 -43.9 60.4 37.9 58.1 7 8 A D H <> S+ 0 0 34 -3,-0.6 4,-2.5 159,-0.3 -1,-0.2 0.878 110.0 52.7 -63.8 -38.8 57.5 39.6 60.1 8 9 A L H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.851 105.8 54.2 -66.0 -37.4 58.9 43.0 59.2 9 10 A I H X S+ 0 0 2 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.938 110.9 45.9 -59.4 -48.1 59.0 42.1 55.5 10 11 A V H X S+ 0 0 7 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.932 111.6 51.8 -61.7 -44.5 55.3 41.2 55.7 11 12 A E H X S+ 0 0 36 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.903 110.8 47.8 -59.1 -44.2 54.4 44.3 57.6 12 13 A A H X S+ 0 0 0 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.938 110.5 51.4 -64.1 -46.5 56.2 46.5 55.0 13 14 A L H <>S+ 0 0 1 -4,-2.4 5,-2.2 1,-0.2 -2,-0.2 0.920 111.9 47.1 -56.0 -42.0 54.5 44.8 52.1 14 15 A E H ><5S+ 0 0 82 -4,-2.4 3,-1.7 1,-0.2 -1,-0.2 0.924 107.6 56.5 -65.8 -46.6 51.1 45.3 53.7 15 16 A E H 3<5S+ 0 0 77 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.845 106.6 50.1 -53.2 -38.6 51.8 49.0 54.5 16 17 A Y T 3<5S- 0 0 39 -4,-1.7 -1,-0.3 -3,-0.1 -2,-0.2 0.266 127.1 -92.5 -95.4 14.6 52.5 49.8 50.8 17 18 A G T < 5 + 0 0 29 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.632 57.6 171.2 96.4 15.2 49.3 48.2 49.5 18 19 A T < + 0 0 13 -5,-2.2 -1,-0.2 -6,-0.2 52,-0.2 -0.408 5.7 168.4 -62.0 128.9 50.1 44.6 48.7 19 20 A E + 0 0 76 50,-2.9 2,-0.4 1,-0.3 51,-0.2 0.571 63.6 32.4-108.0 -29.6 46.9 42.6 47.9 20 21 A Q E -c 70 0B 4 49,-1.9 51,-2.1 2,-0.0 2,-0.4 -0.990 61.4-157.9-144.1 128.2 48.4 39.4 46.3 21 22 A V E -c 71 0B 0 -2,-0.4 25,-2.4 20,-0.3 2,-0.5 -0.903 2.1-165.5-108.2 128.9 51.6 37.4 46.9 22 23 A V E +cd 72 46B 2 49,-2.5 51,-2.0 -2,-0.4 2,-0.3 -0.996 29.5 172.0-108.7 112.4 53.0 35.0 44.4 23 24 A G E -c 73 0B 0 23,-2.4 2,-0.4 -2,-0.5 51,-0.2 -0.948 28.5-155.7-132.3 148.5 55.6 32.9 46.4 24 25 A F E -c 74 0B 6 49,-2.1 51,-1.1 -2,-0.3 2,-0.1 -0.993 24.4-127.9-128.9 128.6 57.8 29.9 45.9 25 26 A I + 0 0 7 1059,-0.5 2,-0.2 -2,-0.4 1046,-0.1 -0.384 43.2 130.6 -77.7 148.5 59.0 27.7 48.9 26 27 A G S >> S- 0 0 2 -2,-0.1 3,-1.8 1045,-0.1 4,-0.6 -0.864 71.8 -83.7-179.8 167.0 62.6 26.7 49.7 27 28 A H G >4 S+ 0 0 15 1,-0.3 3,-0.8 -2,-0.2 4,-0.4 0.836 127.3 56.9 -58.7 -29.4 64.6 26.9 53.0 28 29 A T G 34 S+ 0 0 0 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.759 112.5 40.4 -71.0 -23.3 65.6 30.5 52.3 29 30 A S G <> S+ 0 0 0 -3,-1.8 4,-2.8 1,-0.1 5,-0.2 0.286 87.2 100.7-102.7 6.1 61.9 31.5 52.1 30 31 A H H S+ 0 0 15 -4,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.918 114.5 49.9 -62.6 -42.2 60.6 32.2 57.6 32 33 A V H > S+ 0 0 1 -4,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.915 111.3 48.0 -61.4 -45.6 58.9 34.5 55.1 33 34 A A H X S+ 0 0 0 -4,-2.8 4,-1.6 2,-0.2 -2,-0.2 0.920 112.6 49.7 -60.2 -43.9 56.2 31.7 54.3 34 35 A D H X S+ 0 0 9 -4,-2.2 4,-0.7 -5,-0.2 -2,-0.2 0.938 111.7 48.7 -60.2 -46.3 55.7 31.2 58.1 35 36 A A H >< S+ 0 0 3 -4,-2.7 3,-1.1 1,-0.2 4,-0.2 0.909 108.7 52.7 -61.6 -45.5 55.3 35.0 58.6 36 37 A F H >< S+ 0 0 0 -4,-2.6 3,-1.7 1,-0.2 6,-0.7 0.831 98.7 65.1 -58.2 -33.1 52.8 35.3 55.7 37 38 A S H 3< S+ 0 0 49 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.789 101.1 51.1 -64.9 -21.0 50.7 32.5 57.3 38 39 A K T << S+ 0 0 144 -3,-1.1 -1,-0.3 -4,-0.7 2,-0.2 0.453 104.4 74.2 -94.3 0.5 50.0 34.8 60.2 39 40 A S S X S- 0 0 20 -3,-1.7 3,-1.5 -4,-0.2 4,-0.4 -0.669 91.4-111.2-111.2 160.6 48.9 37.7 58.0 40 41 A H T 3 S+ 0 0 192 1,-0.2 4,-0.3 -2,-0.2 3,-0.3 0.739 117.0 64.1 -64.4 -15.8 45.8 38.4 56.0 41 42 A L T 3 S+ 0 0 22 1,-0.2 -20,-0.3 2,-0.1 4,-0.3 0.670 85.3 78.5 -72.0 -21.6 48.0 38.0 52.9 42 43 A G S X S+ 0 0 18 -3,-1.5 3,-1.3 -6,-0.7 -1,-0.2 0.897 81.6 61.1 -60.4 -38.1 48.5 34.3 53.8 43 44 A K T 3 S+ 0 0 201 -4,-0.4 -1,-0.2 -3,-0.3 -2,-0.1 0.851 109.0 36.0 -64.3 -45.0 45.3 32.9 52.6 44 45 A R T 3 S+ 0 0 94 -4,-0.3 -1,-0.3 -3,-0.3 -2,-0.2 0.224 78.4 143.2-101.4 20.9 45.3 33.6 49.0 45 46 A V < - 0 0 10 -3,-1.3 2,-0.5 -4,-0.3 -23,-0.2 -0.264 44.4-137.5 -53.1 133.7 49.1 33.2 48.2 46 47 A I B -d 22 0B 0 -25,-2.4 -23,-2.4 8,-0.0 -1,-0.1 -0.900 12.3-163.7 -94.6 124.4 49.7 31.6 44.8 47 48 A N - 0 0 36 -2,-0.5 -23,-0.1 -25,-0.2 -25,-0.0 -0.910 22.4-154.9-105.5 99.8 52.4 28.9 44.6 48 49 A P - 0 0 0 0, 0.0 3,-0.1 0, 0.0 411,-0.1 -0.286 25.2-115.3 -79.2 163.9 53.1 28.7 40.9 49 50 A A S S+ 0 0 0 1,-0.2 2,-0.3 407,-0.1 994,-0.1 0.897 101.4 7.6 -61.9 -37.9 54.5 25.6 38.9 50 51 A T S > S- 0 0 8 1,-0.1 4,-2.4 406,-0.1 -1,-0.2 -0.981 74.4-118.2-139.8 160.1 57.6 27.7 38.1 51 52 A E H > S+ 0 0 7 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 0.852 114.5 52.5 -67.0 -34.5 59.0 31.1 39.1 52 53 A L H > S+ 0 0 12 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.926 109.2 49.6 -69.0 -42.3 58.9 32.5 35.5 53 54 A G H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.934 112.7 48.1 -55.5 -47.6 55.2 31.5 35.3 54 55 A G H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.902 108.2 53.7 -60.8 -39.4 54.6 33.2 38.6 55 56 A A H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.864 106.8 52.4 -66.2 -33.7 56.4 36.3 37.5 56 57 A W H X S+ 0 0 1 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.867 106.2 54.0 -63.2 -40.0 54.2 36.5 34.4 57 58 A M H X S+ 0 0 2 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.916 106.4 52.0 -60.2 -43.8 51.1 36.3 36.8 58 59 A V H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.944 110.1 49.8 -58.2 -42.8 52.5 39.3 38.7 59 60 A N H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.908 112.1 45.8 -65.3 -41.5 52.8 41.2 35.4 60 61 A G H X S+ 0 0 0 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.909 114.9 48.2 -64.9 -42.4 49.2 40.4 34.3 61 62 A Y H X S+ 0 0 12 -4,-2.5 4,-1.2 1,-0.2 -2,-0.2 0.946 117.2 40.5 -60.5 -49.7 47.8 41.3 37.7 62 63 A N H X>S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.2 5,-0.6 0.775 106.3 62.7 -78.1 -27.9 49.7 44.6 37.9 63 64 A Y H <5S+ 0 0 17 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.929 110.4 40.7 -61.0 -45.3 49.2 45.6 34.3 64 65 A V H <5S+ 0 0 14 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.774 119.5 46.5 -75.3 -23.2 45.4 45.7 34.9 65 66 A K H <5S- 0 0 68 -4,-1.2 -2,-0.2 2,-0.2 -1,-0.2 0.685 91.7-141.2 -90.1 -20.6 45.8 47.4 38.4 66 67 A D T <5S+ 0 0 38 -4,-2.1 2,-0.3 1,-0.2 -3,-0.1 0.784 76.6 69.0 57.4 31.3 48.4 50.1 37.4 67 68 A R S > - e 0 101B 18 -51,-1.1 3,-2.1 -2,-0.4 4,-0.5 -0.515 55.7 -89.1 -60.0 131.1 63.6 31.2 47.4 76 77 A C G >4 S+ 0 0 0 25,-2.0 3,-2.0 1,-0.3 4,-0.3 0.494 118.3 32.4 -4.5 -89.0 67.2 31.9 46.3 77 78 A V G >4 S+ 0 0 7 1,-0.3 3,-1.2 2,-0.2 -1,-0.3 0.672 106.9 71.3 -68.8 -19.8 67.9 30.1 43.0 78 79 A G G X4 S+ 0 0 4 -3,-2.1 3,-1.6 1,-0.2 -1,-0.3 0.769 84.9 69.5 -61.5 -23.5 64.3 30.5 41.8 79 80 A N G X< S+ 0 0 0 -3,-2.0 3,-1.6 -4,-0.5 4,-0.3 0.760 82.9 74.0 -63.4 -23.2 65.1 34.2 41.4 80 81 A L G < S+ 0 0 3 -3,-1.2 592,-0.6 -4,-0.3 3,-0.3 0.634 90.5 57.6 -66.4 -12.8 67.3 33.1 38.4 81 82 A L G < S+ 0 0 18 -3,-1.6 4,-0.3 590,-0.2 3,-0.3 0.415 87.3 80.5 -89.9 -3.0 64.1 32.4 36.4 82 83 A L <> + 0 0 0 -3,-1.6 4,-2.3 1,-0.2 3,-0.2 0.697 61.4 91.5 -80.8 -20.4 62.8 36.0 36.7 83 84 A H H > S+ 0 0 0 -3,-0.3 4,-2.3 -4,-0.3 -1,-0.2 0.786 83.4 50.0 -57.2 -42.0 64.7 37.9 34.0 84 85 A A H > S+ 0 0 0 584,-0.5 4,-1.8 -3,-0.3 -1,-0.2 0.950 116.3 40.5 -61.6 -51.5 62.4 37.6 31.0 85 86 A A H > S+ 0 0 1 -4,-0.3 4,-2.1 -3,-0.2 -1,-0.2 0.870 113.8 55.9 -63.3 -37.0 59.2 38.7 32.8 86 87 A M H X S+ 0 0 1 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.892 105.1 52.0 -63.9 -38.4 61.3 41.5 34.6 87 88 A Q H X S+ 0 0 11 -4,-2.3 4,-2.2 -5,-0.2 5,-0.4 0.923 108.0 51.2 -66.1 -42.9 62.5 42.9 31.3 88 89 A E H X S+ 0 0 2 -4,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.936 108.1 52.9 -57.3 -41.7 58.9 43.1 30.0 89 90 A A H <>S+ 0 0 0 -4,-2.1 5,-2.4 1,-0.2 4,-0.4 0.855 109.1 51.3 -62.5 -37.8 57.9 45.0 33.1 90 91 A R H ><5S+ 0 0 74 -4,-1.7 3,-1.0 65,-0.2 -2,-0.2 0.991 120.8 28.3 -61.7 -64.3 60.7 47.5 32.6 91 92 A T H 3<5S+ 0 0 12 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.834 120.9 55.6 -70.9 -26.0 60.0 48.5 29.0 92 93 A G T 3<5S- 0 0 19 -4,-2.7 -1,-0.2 -5,-0.4 -2,-0.2 0.369 108.1-122.3 -86.5 3.0 56.3 47.8 29.3 93 94 A R T < 5 + 0 0 55 -3,-1.0 62,-0.3 -4,-0.4 -3,-0.2 0.913 54.7 155.7 57.7 47.0 55.8 50.2 32.3 94 95 A I < - 0 0 3 -5,-2.4 2,-0.2 60,-0.2 -1,-0.2 -0.923 41.9-132.1-105.6 119.0 54.4 47.5 34.7 95 96 A P + 0 0 2 0, 0.0 2,-0.2 0, 0.0 -28,-0.2 -0.484 40.1 160.9 -67.8 134.9 54.9 48.3 38.4 96 97 A A E - f 0 156B 0 59,-1.7 61,-2.4 -2,-0.2 2,-0.5 -0.735 26.9-160.5-164.6 110.8 56.3 45.1 40.1 97 98 A V E -ef 71 157B 0 -27,-0.5 -25,-2.1 -2,-0.2 2,-0.4 -0.737 12.2-172.0 -95.6 128.4 58.1 44.5 43.4 98 99 A H E -ef 72 158B 2 59,-2.5 61,-2.4 -2,-0.5 2,-0.6 -0.989 8.6-159.6-119.5 125.3 60.1 41.2 43.7 99 100 A I E -ef 73 159B 2 -27,-2.9 -25,-2.4 -2,-0.4 2,-0.5 -0.910 9.6-165.5-109.1 113.9 61.6 40.1 47.1 100 101 A G E -ef 74 160B 0 59,-2.9 61,-2.8 -2,-0.6 2,-0.8 -0.913 9.6-150.9-100.1 123.8 64.5 37.5 46.6 101 102 A L E -ef 75 161B 0 -27,-2.7 -25,-2.0 -2,-0.5 -22,-0.1 -0.826 21.2-163.2 -94.9 111.6 65.6 35.6 49.7 102 103 A N E - f 0 162B 1 59,-1.6 61,-2.3 -2,-0.8 3,-0.1 -0.316 26.6 -82.4 -85.0 173.3 69.3 34.8 49.1 103 104 A S S S- 0 0 9 12,-0.7 61,-0.2 59,-0.2 -1,-0.2 -0.102 73.2 -51.2 -69.8 171.6 71.4 32.2 51.0 104 105 A D > - 0 0 28 58,-0.2 3,-1.6 1,-0.2 4,-0.4 -0.208 44.4-139.6 -52.1 127.4 73.1 32.9 54.4 105 106 A G G > S+ 0 0 27 1,-0.3 3,-0.7 2,-0.2 -1,-0.2 0.747 99.8 69.4 -62.1 -22.4 75.1 36.0 54.3 106 107 A R G 3 S+ 0 0 180 1,-0.2 -1,-0.3 3,-0.0 -2,-0.1 0.811 102.9 44.9 -59.8 -30.8 77.8 34.3 56.4 107 108 A L G X S+ 0 0 25 -3,-1.6 3,-1.4 7,-0.1 -1,-0.2 0.480 85.5 123.5 -98.0 -3.5 78.6 32.1 53.3 108 109 A A T < S+ 0 0 43 -3,-0.7 3,-0.1 -4,-0.4 -3,-0.0 -0.220 71.7 21.0 -63.0 143.3 78.6 35.0 50.7 109 110 A G T 3 S+ 0 0 85 1,-0.3 2,-0.4 2,-0.1 -1,-0.2 0.467 84.1 134.3 82.1 -2.1 81.7 35.4 48.5 110 111 A R X - 0 0 63 -3,-1.4 3,-1.8 1,-0.1 -1,-0.3 -0.699 55.8-137.6 -79.5 131.1 83.0 31.9 49.1 111 112 A S T 3 S+ 0 0 55 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.1 0.814 100.3 40.7 -66.6 -29.7 84.1 30.5 45.8 112 113 A E T 3 S+ 0 0 8 757,-0.1 759,-2.3 756,-0.1 760,-0.3 0.108 87.0 133.3-105.4 22.6 82.7 27.0 46.3 113 114 A A < - 0 0 8 -3,-1.8 2,-0.4 757,-0.2 3,-0.3 -0.351 50.4-130.1 -70.8 150.0 79.4 28.2 47.9 114 115 A A S S+ 0 0 4 1,-0.2 896,-0.2 -2,-0.1 3,-0.1 -0.851 78.9 1.9 -99.9 139.3 76.0 26.8 46.9 115 116 A Q S S+ 0 0 4 894,-0.4 2,-1.0 -2,-0.4 -12,-0.7 0.740 73.7 151.5 61.2 30.8 73.0 28.8 45.9 116 117 A Q - 0 0 35 -3,-0.3 -1,-0.2 -14,-0.1 -14,-0.1 -0.817 42.1-142.1 -90.6 97.9 74.7 32.3 46.3 117 118 A V - 0 0 5 -2,-1.0 2,-2.0 -3,-0.1 3,-0.1 -0.543 7.9-127.3 -75.2 131.2 72.5 34.1 43.8 118 119 A P > + 0 0 22 0, 0.0 3,-2.2 0, 0.0 4,-0.2 -0.506 31.4 176.3 -75.9 78.6 74.2 36.7 41.6 119 120 A W G > S+ 0 0 69 -2,-2.0 3,-1.9 1,-0.3 4,-0.3 0.732 70.8 75.6 -55.1 -22.3 71.7 39.6 42.3 120 121 A Q G > S+ 0 0 114 1,-0.3 3,-1.1 2,-0.2 -1,-0.3 0.744 77.1 76.1 -68.9 -14.1 74.0 41.9 40.1 121 122 A S G < S+ 0 0 0 -3,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.704 92.0 54.4 -64.9 -20.6 72.4 40.1 37.1 122 123 A F G X> S+ 0 0 0 -3,-1.9 4,-2.5 -4,-0.2 3,-2.0 0.620 82.7 88.4 -84.9 -17.1 69.3 42.2 37.7 123 124 A T T <4 S+ 0 0 76 -3,-1.1 -1,-0.2 -4,-0.3 -2,-0.1 0.856 89.1 47.3 -53.1 -42.1 71.1 45.6 37.6 124 125 A P T 34 S+ 0 0 46 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.544 123.0 34.7 -75.2 -4.9 70.8 46.0 33.8 125 126 A I T <4 S+ 0 0 0 -3,-2.0 -2,-0.2 584,-0.0 -3,-0.1 0.796 97.6 72.2-114.3 -59.0 67.0 45.1 34.0 126 127 A A S < S- 0 0 5 -4,-2.5 3,-0.2 1,-0.1 31,-0.2 -0.276 71.1-133.5 -65.2 149.1 65.2 46.3 37.1 127 128 A R S S+ 0 0 64 29,-2.4 2,-0.3 1,-0.3 30,-0.2 0.781 101.1 21.9 -66.4 -27.0 64.5 50.0 37.5 128 129 A S E -g 157 0B 15 28,-1.0 30,-2.7 -6,-0.1 2,-0.4 -0.973 68.3-177.2-140.5 129.2 65.8 49.5 41.1 129 130 A T E +g 158 0B 33 -2,-0.3 2,-0.4 28,-0.2 30,-0.2 -0.995 12.1 176.3-125.1 120.4 68.1 46.7 42.3 130 131 A Q E -g 159 0B 47 28,-2.1 30,-2.9 -2,-0.4 2,-0.5 -0.996 20.8-159.9-128.9 132.9 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-64.7 -46.4 46.8 73.6 15.9 201 202 A L H < S+ 0 0 4 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.902 113.1 44.6 -56.8 -45.8 43.8 71.3 16.3 202 203 A V H < S+ 0 0 41 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.815 113.7 50.4 -72.7 -28.8 41.4 74.0 15.0 203 204 A A H < S+ 0 0 61 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.739 88.5 104.0 -79.7 -24.1 43.7 74.9 12.0 204 205 A A < - 0 0 19 -4,-1.6 69,-0.0 -5,-0.1 67,-0.0 -0.330 56.9-156.2 -67.2 143.7 44.3 71.4 10.8 205 206 A K S S+ 0 0 148 1,-0.2 -1,-0.1 -2,-0.1 66,-0.1 0.807 94.8 16.3 -80.0 -36.7 42.5 69.9 7.7 206 207 A N S S+ 0 0 42 2,-0.0 66,-1.1 145,-0.0 67,-0.7 -0.521 85.7 177.3-140.1 64.2 42.9 66.3 8.8 207 208 A P E -h 273 0C 6 0, 0.0 2,-0.3 0, 0.0 67,-0.2 -0.283 9.0-165.5 -71.4 161.7 43.7 66.2 12.6 208 209 A V E -h 274 0C 0 65,-1.7 67,-2.5 25,-0.1 2,-0.5 -0.996 15.8-145.6-141.5 142.7 44.1 63.1 14.8 209 210 A I E -hi 275 235C 0 25,-2.3 27,-2.8 -2,-0.3 2,-0.6 -0.950 18.0-159.8-103.3 123.0 44.2 62.5 18.6 210 211 A L E -hi 276 236C 0 65,-2.6 67,-2.9 -2,-0.5 2,-0.5 -0.942 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129.8 63.7 -49.5 -41.1 50.9 35.2 13.5 400 401 A H T 3> S+ 0 0 14 1,-0.2 4,-1.9 149,-0.2 -1,-0.2 0.685 82.7 76.5 -60.7 -20.9 47.9 35.0 15.9 401 402 A T H <> S+ 0 0 11 -3,-1.6 4,-2.6 1,-0.2 -1,-0.2 0.891 91.2 55.6 -58.5 -41.6 48.6 38.4 17.5 402 403 A L H S+ 0 0 1 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.853 114.2 54.8 -62.9 -28.6 43.7 38.7 14.4 404 405 A M H X S+ 0 0 0 -4,-1.9 4,-0.9 2,-0.2 -2,-0.2 0.950 113.6 40.0 -67.9 -46.3 43.6 39.0 18.2 405 406 A F H < S+ 0 0 23 -4,-2.6 -1,-0.2 1,-0.2 3,-0.2 0.884 119.3 47.6 -66.1 -39.1 44.3 42.8 18.0 406 407 A G H < S+ 0 0 3 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.776 114.3 45.1 -75.2 -24.6 42.0 43.2 14.9 407 408 A G H < S+ 0 0 0 -4,-1.9 2,-0.6 -5,-0.2 -1,-0.2 0.535 89.7 97.3 -96.4 -7.9 39.2 41.2 16.4 408 409 A A < - 0 0 2 -4,-0.9 2,-0.5 -3,-0.2 -27,-0.0 -0.744 49.2-178.7 -82.3 115.2 39.3 42.9 19.8 409 410 A I - 0 0 39 -2,-0.6 2,-0.3 -155,-0.0 -161,-0.1 -0.971 17.4-169.0-119.2 107.1 36.7 45.8 19.9 410 411 A L + 0 0 5 -2,-0.5 -163,-2.5 -165,-0.1 -167,-0.3 -0.753 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-1,-0.2 1,-0.2 -136,-0.1 0.906 64.2 38.7 -61.3 -48.0 53.5 44.4 24.7 421 422 A A T 4 S+ 0 0 5 -3,-0.2 282,-0.4 -333,-0.2 -1,-0.2 0.787 131.0 21.2 -79.8 -28.5 57.0 45.9 25.0 422 423 A E T 4 S- 0 0 3 280,-0.2 -2,-0.2 281,-0.1 -1,-0.2 0.480 84.9-134.2-122.1 -15.0 59.2 42.8 24.4 423 424 A G < - 0 0 7 -4,-1.9 2,-0.7 1,-0.2 -3,-0.1 0.897 34.0-178.4 56.8 44.6 57.1 40.2 22.6 424 425 A I > - 0 0 3 -5,-0.1 3,-1.5 -340,-0.1 -1,-0.2 -0.693 25.7-124.0 -84.2 113.5 58.3 37.4 24.8 425 426 A L T 3 S+ 0 0 35 -2,-0.7 -1,-0.1 1,-0.2 -27,-0.0 -0.274 90.5 31.1 -59.6 140.4 56.7 34.1 23.7 426 427 A G T 3 S+ 0 0 1 -29,-0.1 3,-0.3 29,-0.0 -1,-0.2 0.158 81.9 113.5 97.6 -13.6 54.7 32.2 26.3 427 428 A C <> + 0 0 0 -3,-1.5 4,-2.4 1,-0.2 5,-0.3 0.702 57.6 76.3 -49.7 -35.9 53.4 35.2 28.3 428 429 A G H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.919 90.5 45.3 -63.8 -53.8 49.8 34.8 27.4 429 430 A F H > S+ 0 0 4 -3,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.957 119.2 40.3 -55.8 -51.2 48.5 32.0 29.6 430 431 A P H > S+ 0 0 0 0, 0.0 4,-2.1 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M S S+ 0 0 66 2,-0.1 2,-0.2 148,-0.1 172,-0.1 -0.921 111.4 40.0-124.7 144.1 52.3 1.6 48.6 961 374 B P S S- 0 0 89 0, 0.0 171,-0.3 0, 0.0 2,-0.1 0.545 95.5-138.4 -64.3 148.0 53.5 4.2 49.2 962 375 B A B -e 1132 0I 8 169,-2.6 171,-0.5 -2,-0.2 2,-0.4 -0.465 8.5-117.3 -78.8 146.3 56.7 2.7 47.7 963 376 B S > - 0 0 22 -6,-0.3 4,-1.9 -4,-0.2 3,-0.2 -0.695 15.6-139.9 -72.2 130.2 60.2 3.2 49.1 964 377 B M H > S+ 0 0 2 -2,-0.4 4,-2.0 1,-0.2 -1,-0.1 0.806 106.2 59.6 -64.3 -27.4 62.5 5.1 46.6 965 378 B F H > S+ 0 0 0 -11,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.863 103.6 51.0 -64.4 -37.2 65.3 2.7 47.7 966 379 B R H > S+ 0 0 77 -12,-0.5 4,-2.0 -3,-0.2 -2,-0.2 0.952 107.5 52.6 -62.7 -45.5 63.0 -0.1 46.4 967 380 B A H X S+ 0 0 0 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.920 111.0 47.2 -55.9 -45.7 62.5 1.7 43.1 968 381 B M H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.858 106.8 56.6 -66.6 -36.0 66.3 2.0 42.7 969 382 B A H X S+ 0 0 8 -4,-2.0 4,-1.0 2,-0.2 -1,-0.2 0.877 107.0 50.1 -60.3 -37.4 66.8 -1.7 43.6 970 383 B E H X S+ 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H <> S+ 0 0 1 -3,-1.2 4,-2.7 -4,-0.5 5,-0.2 0.960 109.9 43.3 -64.7 -50.6 69.1 11.1 48.8 991 404 B P H > S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.839 112.8 54.4 -66.1 -27.6 67.6 7.7 47.7 992 405 B M H X S+ 0 0 0 -4,-1.8 4,-0.8 2,-0.2 -2,-0.2 0.943 114.3 40.1 -66.8 -45.2 68.7 8.4 44.2 993 406 B F H < S+ 0 0 22 -4,-2.6 -1,-0.2 1,-0.2 -150,-0.2 0.863 118.8 47.7 -65.0 -40.4 72.3 8.9 45.4 994 407 B G H < S+ 0 0 2 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.760 114.6 44.1 -76.6 -27.3 72.1 6.1 47.9 995 408 B G H < S+ 0 0 0 -4,-1.9 2,-0.6 -5,-0.2 -1,-0.2 0.483 89.6 98.1 -96.1 -7.6 70.7 3.5 45.5 996 409 B A < - 0 0 2 -4,-0.8 2,-0.5 -3,-0.1 -27,-0.1 -0.787 50.0-178.1 -79.1 114.4 73.0 4.3 42.6 997 410 B I - 0 0 42 -2,-0.6 2,-0.2 -155,-0.0 -161,-0.1 -0.978 17.2-169.8-118.8 107.1 75.9 1.8 42.6 998 411 B L - 0 0 6 -2,-0.5 -163,-2.2 -165,-0.1 -167,-0.3 -0.723 33.2-177.2-115.8 155.0 78.2 2.8 39.7 999 412 B Q S S+ 0 0 82 -22,-0.4 -1,-0.1 -2,-0.2 -168,-0.1 0.391 72.0 43.1-128.0 -7.4 81.2 1.3 37.9 1000 413 B R S > 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