==== 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 LYASE 20-SEP-05 2D2X . COMPND 2 MOLECULE: 2-DEOXY-SCYLLO-INOSOSE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CIRCULANS; . AUTHOR E.NANGO,T.KUMASAKA,N.TANAKA,K.KAKINUMA,T.EGUCHI . 705 6 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29320.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 508 72.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 62 8.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 55 7.8 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.1 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 . 37 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 92 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 244 34.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.8 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 4 0 0 1 2 3 2 1 5 0 0 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 0 0 4 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 . 4 2 0 1 3 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 ANTIPARALLEL BRIDGES PER LADDER . 4 2 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 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 T 0 0 76 0, 0.0 15,-2.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 142.1 -11.1 26.7 10.7 2 3 A T E -A 15 0A 63 13,-0.2 2,-0.4 11,-0.0 13,-0.2 -0.976 360.0-176.6-125.7 135.6 -9.1 27.5 7.6 3 4 A K E -A 14 0A 75 11,-1.8 11,-2.8 -2,-0.4 2,-0.7 -0.993 24.2-131.1-131.5 137.5 -5.6 29.0 7.4 4 5 A Q E -A 13 0A 163 -2,-0.4 2,-0.4 9,-0.2 9,-0.2 -0.799 26.5-166.9 -90.9 114.9 -3.7 29.9 4.2 5 6 A I E -A 12 0A 3 7,-2.7 7,-2.3 -2,-0.7 2,-0.4 -0.870 4.1-171.7-105.7 132.5 -0.2 28.5 4.4 6 7 A a E -A 11 0A 37 -2,-0.4 2,-0.9 5,-0.2 5,-0.3 -0.961 21.2-167.1-133.6 121.9 2.6 29.6 2.1 7 8 A F E > S-A 10 0A 0 3,-2.7 3,-2.2 -2,-0.4 219,-0.2 -0.878 80.9 -54.7 -99.3 99.7 6.1 28.3 1.5 8 9 A A T 3 S- 0 0 58 218,-1.9 220,-0.0 -2,-0.9 219,-0.0 -0.463 122.1 -20.6 61.4-130.6 7.4 31.3 -0.6 9 10 A D T 3 S+ 0 0 146 -2,-0.1 2,-0.8 -3,-0.1 -1,-0.3 0.313 118.6 96.7 -91.3 9.8 4.9 31.6 -3.5 10 11 A R E < +A 7 0A 88 -3,-2.2 -3,-2.7 2,-0.0 2,-0.2 -0.870 57.8 176.0-100.1 105.5 3.5 28.0 -3.1 11 12 A a E +A 6 0A 68 -2,-0.8 2,-0.3 -5,-0.3 -5,-0.2 -0.698 14.8 175.2-112.7 163.6 0.4 28.2 -1.0 12 13 A F E -A 5 0A 5 -7,-2.3 -7,-2.7 -2,-0.2 2,-0.4 -0.979 31.5-110.6-160.2 150.9 -2.4 25.9 0.2 13 14 A N E -Ab 4 160A 64 146,-1.0 148,-2.2 -2,-0.3 2,-0.6 -0.754 22.4-160.6 -91.2 134.5 -5.4 25.9 2.5 14 15 A F E -Ab 3 161A 0 -11,-2.8 -11,-1.8 -2,-0.4 2,-0.4 -0.929 11.5-174.1-116.2 103.1 -5.3 24.0 5.8 15 16 A A E +Ab 2 162A 1 146,-2.4 148,-2.7 -2,-0.6 2,-0.4 -0.839 6.6 173.8-100.6 135.2 -8.7 23.4 7.1 16 17 A F E + b 0 163A 2 -15,-2.8 2,-0.3 -2,-0.4 148,-0.2 -0.988 22.1 89.0-146.9 134.3 -9.2 21.8 10.6 17 18 A G E > S- b 0 164A 7 146,-1.7 3,-1.1 -2,-0.4 148,-1.1 -0.939 77.4 -34.9 165.8-179.4 -12.1 21.0 12.8 18 19 A E T 3 S- 0 0 97 -2,-0.3 146,-0.1 1,-0.3 -2,-0.0 -0.451 124.0 -9.8 -67.9 128.1 -14.7 18.4 13.6 19 20 A H T 3 S+ 0 0 65 -2,-0.2 -1,-0.3 1,-0.1 3,-0.3 0.887 77.9 161.1 51.7 46.1 -15.8 16.5 10.5 20 21 A V S X S+ 0 0 5 -3,-1.1 3,-0.8 1,-0.2 -1,-0.1 0.772 72.3 57.6 -65.2 -25.4 -14.0 18.9 8.1 21 22 A L G > S+ 0 0 2 1,-0.2 3,-2.6 2,-0.2 4,-0.3 0.858 90.3 68.4 -73.5 -35.4 -14.2 16.2 5.4 22 23 A E G 3 S+ 0 0 80 1,-0.3 -1,-0.2 -3,-0.3 -2,-0.2 0.560 109.6 39.6 -61.4 -4.7 -18.0 16.0 5.6 23 24 A S G X S+ 0 0 41 -3,-0.8 3,-1.1 -4,-0.2 -1,-0.3 -0.037 74.7 123.3-133.0 29.9 -17.8 19.5 4.1 24 25 A V G X> + 0 0 2 -3,-2.6 4,-2.4 1,-0.3 3,-1.9 0.806 66.2 69.4 -61.3 -30.3 -15.0 19.0 1.7 25 26 A E G 34 S+ 0 0 70 1,-0.3 -1,-0.3 -4,-0.3 5,-0.1 0.833 97.3 50.4 -58.3 -34.9 -17.3 20.2 -1.1 26 27 A S G <4 S+ 0 0 96 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.459 114.4 45.8 -83.9 0.4 -17.3 23.7 0.3 27 28 A Y T <4 S+ 0 0 66 -3,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.691 114.8 42.9-109.3 -31.2 -13.5 23.6 0.4 28 29 A I S < S- 0 0 2 -4,-2.4 -1,-0.3 132,-0.0 132,-0.0 -0.969 84.6-118.7-122.5 131.4 -12.7 22.2 -3.1 29 30 A P > - 0 0 65 0, 0.0 3,-1.3 0, 0.0 4,-0.5 -0.337 23.5-122.0 -66.1 146.2 -14.4 23.1 -6.4 30 31 A R T 3 S+ 0 0 126 1,-0.3 3,-0.3 2,-0.1 -5,-0.0 0.844 110.2 42.9 -55.6 -41.4 -16.3 20.4 -8.2 31 32 A D T 3 S+ 0 0 163 1,-0.2 -1,-0.3 3,-0.0 3,-0.1 0.373 85.8 98.6 -89.9 4.9 -14.2 20.7 -11.4 32 33 A E S < S+ 0 0 66 -3,-1.3 2,-0.3 1,-0.2 -1,-0.2 0.959 95.5 10.3 -56.1 -55.7 -10.9 21.0 -9.7 33 34 A F - 0 0 10 -4,-0.5 62,-0.2 -3,-0.3 -1,-0.2 -0.941 56.6-152.1-127.3 149.0 -9.9 17.3 -10.2 34 35 A D S S+ 0 0 76 60,-1.4 2,-0.3 -2,-0.3 61,-0.2 0.440 83.2 18.3 -97.2 0.7 -11.5 14.6 -12.2 35 36 A Q E -c 95 0A 20 59,-0.7 61,-2.4 25,-0.2 2,-0.5 -0.954 61.1-145.7-168.6 146.2 -10.3 11.8 -9.9 36 37 A Y E -cd 96 62A 0 25,-2.6 27,-2.5 -2,-0.3 2,-0.8 -0.975 7.7-163.5-123.1 120.2 -9.0 11.1 -6.4 37 38 A I E -cd 97 63A 0 59,-2.6 61,-2.3 -2,-0.5 2,-0.5 -0.878 14.5-152.7-105.1 103.5 -6.5 8.4 -5.7 38 39 A M E -cd 98 64A 0 25,-2.9 27,-3.9 -2,-0.8 2,-0.5 -0.661 10.5-169.1 -79.7 123.2 -6.4 7.7 -2.0 39 40 A I E +cd 99 65A 3 59,-3.0 61,-2.6 -2,-0.5 2,-0.3 -0.948 16.2 156.4-116.0 128.8 -3.1 6.4 -0.6 40 41 A S E - d 0 66A 0 25,-1.8 27,-0.9 -2,-0.5 61,-0.1 -0.937 37.3-123.1-153.4 125.0 -2.9 5.0 2.9 41 42 A D E > - d 0 67A 16 -2,-0.3 3,-1.9 25,-0.2 27,-0.2 -0.257 36.4-104.0 -66.5 159.7 -0.4 2.6 4.5 42 43 A S T 3 S+ 0 0 57 25,-2.7 26,-0.1 1,-0.3 -1,-0.1 0.694 114.2 68.0 -58.5 -24.2 -1.8 -0.6 6.0 43 44 A G T 3 S+ 0 0 65 2,-0.1 -1,-0.3 3,-0.0 25,-0.1 0.590 79.2 99.4 -74.2 -7.8 -1.4 0.6 9.6 44 45 A V S < S- 0 0 9 -3,-1.9 5,-0.1 56,-0.1 -4,-0.0 -0.663 88.5-101.0 -83.8 131.0 -4.1 3.2 9.1 45 46 A P >> - 0 0 66 0, 0.0 4,-1.7 0, 0.0 3,-0.8 -0.212 22.0-138.6 -51.0 128.1 -7.6 2.3 10.5 46 47 A D H 3> S+ 0 0 95 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.853 100.9 63.0 -57.4 -37.5 -9.9 1.2 7.7 47 48 A S H 3> S+ 0 0 90 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.857 104.6 46.5 -57.4 -37.9 -12.8 3.2 9.2 48 49 A I H <> S+ 0 0 25 -3,-0.8 4,-2.5 2,-0.2 -1,-0.2 0.938 112.6 48.9 -70.9 -47.6 -10.9 6.4 8.6 49 50 A V H X S+ 0 0 1 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.950 114.6 43.8 -57.2 -52.9 -9.9 5.6 5.0 50 51 A H H X S+ 0 0 107 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.829 111.4 56.3 -64.2 -29.2 -13.4 4.6 4.0 51 52 A Y H X S+ 0 0 49 -4,-1.3 4,-1.2 -5,-0.3 -1,-0.2 0.926 109.7 44.4 -66.2 -46.1 -14.8 7.6 5.8 52 53 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 5,-0.2 0.820 110.5 55.3 -68.5 -32.5 -12.6 9.9 3.8 53 54 A A H X S+ 0 0 16 -4,-2.1 4,-1.5 -5,-0.2 -1,-0.2 0.853 100.9 60.0 -69.5 -34.2 -13.4 8.1 0.5 54 55 A E H < S+ 0 0 109 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.908 112.6 36.3 -61.0 -43.4 -17.1 8.6 1.1 55 56 A Y H >< S+ 0 0 29 -4,-1.2 3,-1.4 2,-0.2 4,-0.2 0.874 114.5 51.5 -82.2 -37.2 -16.8 12.4 1.2 56 57 A F H >X S+ 0 0 0 -4,-2.1 3,-1.7 1,-0.3 4,-1.4 0.816 102.3 66.6 -66.6 -24.9 -14.2 12.9 -1.5 57 58 A G T 3< S+ 0 0 38 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.660 85.2 69.5 -68.3 -15.7 -16.4 10.7 -3.6 58 59 A K T <4 S+ 0 0 99 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.616 106.5 39.5 -76.8 -10.8 -19.0 13.5 -3.6 59 60 A L T <4 S- 0 0 14 -3,-1.7 -2,-0.2 1,-0.4 -1,-0.2 0.732 131.6 -24.7-106.1 -33.3 -16.7 15.5 -5.8 60 61 A A S < S- 0 0 12 -4,-1.4 -1,-0.4 -24,-0.0 -25,-0.2 -0.970 86.0 -55.9-172.2 163.9 -15.3 12.9 -8.1 61 62 A P - 0 0 82 0, 0.0 -25,-2.6 0, 0.0 2,-0.4 -0.196 52.7-153.3 -52.0 137.9 -14.6 9.1 -8.5 62 63 A V E -d 36 0A 34 -27,-0.2 2,-0.4 -5,-0.1 -25,-0.2 -0.968 12.7-172.2-122.4 130.5 -12.4 7.8 -5.6 63 64 A H E -d 37 0A 69 -27,-2.5 -25,-2.9 -2,-0.4 2,-0.5 -0.968 17.1-140.0-119.5 135.6 -10.0 4.8 -5.8 64 65 A I E -d 38 0A 53 -2,-0.4 2,-0.5 -27,-0.2 -25,-0.2 -0.837 16.5-173.7-100.2 129.1 -8.3 3.5 -2.7 65 66 A L E -d 39 0A 1 -27,-3.9 -25,-1.8 -2,-0.5 2,-0.2 -0.970 6.0-173.2-122.6 116.4 -4.7 2.3 -2.8 66 67 A R E -d 40 0A 58 -2,-0.5 2,-0.3 -27,-0.2 -25,-0.2 -0.683 2.1-175.4-106.6 161.2 -3.1 0.7 0.2 67 68 A F E -d 41 0A 19 -27,-0.9 -25,-2.7 -2,-0.2 2,-0.3 -0.975 39.8 -77.4-150.1 159.6 0.5 -0.4 0.8 68 69 A Q - 0 0 108 -2,-0.3 5,-0.1 -27,-0.2 -27,-0.1 -0.421 47.9-141.7 -63.0 118.8 2.6 -2.2 3.4 69 70 A G + 0 0 9 -2,-0.3 4,-0.1 -29,-0.1 3,-0.1 -0.074 52.4 86.9 -69.9 179.8 3.2 0.2 6.3 70 71 A G S > S- 0 0 27 1,-0.1 3,-1.8 2,-0.1 4,-0.3 0.189 84.3 -93.5 101.7 139.9 6.6 0.1 8.2 71 72 A E G > S+ 0 0 75 1,-0.3 3,-1.4 2,-0.2 73,-0.2 0.802 119.8 68.0 -54.7 -31.5 9.9 1.8 7.7 72 73 A E G 3 S+ 0 0 139 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.813 103.8 44.1 -59.4 -31.9 11.1 -1.3 5.7 73 74 A Y G < S+ 0 0 114 -3,-1.8 2,-1.8 -4,-0.1 -1,-0.3 0.330 78.9 104.7 -98.2 7.0 8.6 -0.3 3.0 74 75 A K < + 0 0 14 -3,-1.4 70,-3.3 -4,-0.3 2,-0.3 -0.587 61.2 119.3 -87.5 77.1 9.3 3.5 2.8 75 76 A T B > S-g 144 0B 37 -2,-1.8 4,-1.6 68,-0.2 70,-0.1 -0.845 80.9-106.6-136.1 169.7 11.3 3.1 -0.4 76 77 A L H > S+ 0 0 4 68,-0.5 4,-2.9 -2,-0.3 5,-0.2 0.810 118.3 61.8 -67.7 -28.5 11.3 4.2 -4.1 77 78 A S H > S+ 0 0 74 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.921 103.5 47.8 -62.7 -44.2 10.2 0.7 -5.0 78 79 A T H > S+ 0 0 15 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.905 111.7 50.9 -63.7 -39.8 7.0 1.1 -3.0 79 80 A V H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.943 107.9 52.4 -60.9 -49.8 6.4 4.5 -4.7 80 81 A T H X S+ 0 0 19 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.919 107.4 52.0 -54.1 -46.4 6.9 3.0 -8.1 81 82 A N H X S+ 0 0 90 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.886 110.2 48.6 -59.7 -39.0 4.3 0.3 -7.4 82 83 A L H X S+ 0 0 3 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.883 110.0 52.3 -68.2 -36.8 1.8 2.9 -6.3 83 84 A Q H X S+ 0 0 1 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.881 108.6 49.8 -66.8 -38.1 2.5 5.0 -9.5 84 85 A E H X S+ 0 0 57 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.928 111.9 47.9 -67.1 -43.5 1.9 1.9 -11.7 85 86 A R H X S+ 0 0 110 -4,-1.9 4,-1.1 2,-0.2 -2,-0.2 0.893 109.6 52.8 -63.9 -40.3 -1.4 1.1 -10.0 86 87 A A H <>S+ 0 0 2 -4,-2.2 5,-1.8 1,-0.2 3,-0.4 0.906 110.2 48.5 -62.2 -40.5 -2.5 4.8 -10.3 87 88 A I H ><5S+ 0 0 31 -4,-1.9 3,-2.3 1,-0.2 -2,-0.2 0.911 106.2 56.4 -65.2 -42.5 -1.8 4.7 -14.0 88 89 A A H 3<5S+ 0 0 88 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.742 104.6 54.2 -61.4 -23.1 -3.7 1.5 -14.4 89 90 A L T 3<5S- 0 0 66 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.286 128.8 -99.3 -93.6 10.0 -6.7 3.2 -12.9 90 91 A G T < 5 + 0 0 47 -3,-2.3 -3,-0.2 1,-0.2 -2,-0.2 0.834 56.5 179.5 79.0 34.5 -6.4 6.0 -15.5 91 92 A A < + 0 0 9 -5,-1.8 2,-0.2 -8,-0.1 -1,-0.2 -0.391 8.4 162.0 -68.2 143.8 -4.6 8.6 -13.5 92 93 A N > - 0 0 54 -57,-0.1 3,-1.6 -2,-0.1 -57,-0.1 -0.788 55.4 -72.5-145.8-169.4 -3.8 11.8 -15.3 93 94 A R T 3 S+ 0 0 156 1,-0.3 28,-0.3 -2,-0.2 -2,-0.1 0.617 127.2 56.2 -68.6 -13.8 -2.8 15.5 -14.7 94 95 A R T 3 S+ 0 0 165 26,-0.1 -60,-1.4 -61,-0.1 -59,-0.7 0.390 89.7 102.5 -96.2 0.1 -6.3 16.3 -13.5 95 96 A T E < -c 35 0A 0 -3,-1.6 26,-0.6 -62,-0.2 2,-0.4 -0.577 60.5-149.1 -85.3 147.4 -6.0 13.6 -10.8 96 97 A A E -ce 36 121A 0 -61,-2.4 -59,-2.6 -2,-0.2 2,-0.6 -0.954 8.0-138.2-119.5 137.0 -5.3 14.4 -7.2 97 98 A I E -ce 37 122A 1 24,-3.0 26,-3.2 -2,-0.4 2,-0.6 -0.837 16.1-160.7 -94.4 123.5 -3.3 12.2 -4.8 98 99 A V E -ce 38 123A 0 -61,-2.3 -59,-3.0 -2,-0.6 2,-0.8 -0.911 1.5-158.9-109.9 109.4 -4.9 12.0 -1.3 99 100 A A E -ce 39 124A 3 24,-2.6 26,-2.7 -2,-0.6 2,-0.7 -0.787 9.4-174.2 -91.0 110.1 -2.6 10.8 1.5 100 101 A V E + e 0 125A 0 -61,-2.6 2,-0.3 -2,-0.8 -59,-0.2 -0.885 50.2 38.2-109.2 101.9 -4.6 9.5 4.4 101 102 A G E S- e 0 126A 4 24,-1.1 26,-2.0 -2,-0.7 27,-0.5 -0.987 86.4 -50.9 161.7-152.3 -2.4 8.7 7.4 102 103 A G S > S- 0 0 15 -2,-0.3 4,-2.2 24,-0.2 5,-0.1 0.084 76.7 -54.9 -99.1-149.9 0.8 9.7 9.3 103 104 A G H > S+ 0 0 30 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.882 129.4 54.5 -61.0 -42.5 4.3 10.6 8.3 104 105 A L H > S+ 0 0 32 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.935 113.0 41.5 -57.8 -50.8 5.1 7.4 6.5 105 106 A T H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 5,-0.4 0.873 111.7 57.9 -65.9 -37.2 2.1 7.8 4.2 106 107 A G H X S+ 0 0 12 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.939 110.8 41.1 -58.8 -49.7 2.8 11.5 3.8 107 108 A N H X S+ 0 0 31 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.890 116.6 47.6 -67.0 -43.1 6.3 10.9 2.5 108 109 A V H X S+ 0 0 0 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.940 117.7 41.2 -65.1 -47.5 5.4 8.0 0.2 109 110 A A H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 5,-0.3 0.891 114.0 56.4 -66.5 -37.1 2.4 9.7 -1.3 110 111 A G H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.4 -2,-0.2 0.901 108.8 43.3 -60.9 -46.2 4.4 12.9 -1.5 111 112 A V H X S+ 0 0 0 -4,-2.4 4,-1.1 2,-0.2 -1,-0.2 0.873 115.0 52.4 -67.4 -37.2 7.2 11.4 -3.5 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0.877 110.3 52.1 -63.4 -38.0 2.0 25.3 15.5 218 222 A I H X S+ 0 0 13 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.973 112.7 44.9 -60.8 -53.1 1.0 26.7 12.1 219 223 A S H X S+ 0 0 79 -4,-2.3 4,-0.8 -5,-0.2 -2,-0.2 0.881 116.6 46.4 -57.7 -42.2 1.7 30.3 13.3 220 224 A A H < S+ 0 0 11 -4,-2.5 4,-0.4 -5,-0.2 3,-0.3 0.952 117.0 39.1 -70.6 -51.6 5.0 29.3 14.9 221 225 A K H >X S+ 0 0 5 -4,-2.7 4,-2.7 1,-0.2 3,-1.8 0.947 116.1 50.3 -65.7 -47.4 6.5 27.2 12.2 222 226 A M H 3X S+ 0 0 16 -4,-2.3 4,-1.3 -5,-0.4 -1,-0.2 0.673 93.1 73.7 -67.3 -16.7 5.4 29.4 9.2 223 227 A S H 3< S+ 0 0 75 -4,-0.8 -1,-0.3 -3,-0.3 -2,-0.2 0.751 117.9 21.3 -66.7 -18.3 6.7 32.5 10.9 224 228 A V H X> S+ 0 0 12 -3,-1.8 4,-1.8 -4,-0.4 3,-0.8 0.750 123.0 52.1-114.1 -42.6 10.1 31.0 9.9 225 229 A L H 3< S+ 0 0 0 -4,-2.7 -3,-0.2 1,-0.2 -2,-0.1 0.661 87.5 79.4 -76.0 -18.4 9.5 28.5 7.0 226 230 A S T 3< S+ 0 0 42 -4,-1.3 -218,-1.9 -5,-0.2 -1,-0.2 0.867 113.8 23.7 -56.8 -32.0 7.5 30.9 4.8 227 231 A E T <4 S+ 0 0 178 -3,-0.8 2,-1.2 1,-0.2 -2,-0.2 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-0.429 4.6-141.1 -89.1 168.9 22.8 21.0 -14.2 515 160 B R S S+ 0 0 103 -37,-3.0 -146,-0.8 1,-0.3 2,-0.3 0.630 82.3 10.4-103.9 -19.8 25.7 23.0 -12.8 516 161 B F E -pt 369 479H 14 -38,-0.9 -36,-2.3 -148,-0.2 2,-0.4 -0.982 58.0-164.5-156.5 149.6 28.1 22.5 -15.8 517 162 B V E -pt 370 480H 0 -148,-1.8 -146,-2.7 -2,-0.3 2,-0.5 -0.982 5.0-174.0-141.5 126.9 27.9 21.2 -19.4 518 163 B F E -p 371 0H 2 -38,-2.7 2,-0.6 -2,-0.4 -146,-0.2 -0.971 0.9-174.3-125.6 118.0 30.9 20.2 -21.5 519 164 B A E -p 372 0H 0 -148,-2.8 -146,-2.1 -2,-0.5 2,-0.8 -0.950 13.5-151.9-115.6 116.9 30.4 19.2 -25.2 520 165 B D E > -p 373 0H 8 -2,-0.6 4,-1.9 -38,-0.5 -146,-0.2 -0.787 4.0-164.0 -87.7 111.4 33.5 18.0 -27.1 521 166 B T H > S+ 0 0 0 -148,-1.0 4,-2.1 -2,-0.8 -147,-0.2 0.712 86.5 60.9 -70.6 -20.6 32.9 18.9 -30.8 522 167 B R H > S+ 0 0 99 -149,-0.3 4,-0.5 2,-0.2 -1,-0.2 0.938 108.1 43.8 -69.4 -46.3 35.6 16.5 -31.9 523 168 B I H >4 S+ 0 0 34 1,-0.2 3,-1.1 2,-0.2 -2,-0.2 0.913 113.9 51.3 -63.4 -43.1 33.7 13.6 -30.4 524 169 B L H >< S+ 0 0 0 -4,-1.9 3,-1.5 1,-0.3 -1,-0.2 0.893 104.7 56.2 -62.2 -40.4 30.5 14.9 -31.8 525 170 B S H 3< S+ 0 0 25 -4,-2.1 -1,-0.3 1,-0.3 39,-0.2 0.617 108.6 49.6 -68.4 -11.9 31.9 15.2 -35.3 526 171 B E T << S+ 0 0 129 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.314 85.1 107.4-109.0 6.1 32.9 11.5 -35.2 527 172 B S S < S- 0 0 18 -3,-1.5 5,-0.1 -4,-0.2 -43,-0.1 -0.452 87.3 -75.1 -78.5 157.9 29.5 10.2 -34.1 528 173 B P > - 0 0 74 0, 0.0 4,-1.9 0, 0.0 3,-0.4 -0.211 37.9-122.3 -57.3 142.9 27.5 8.3 -36.7 529 174 B P H > S+ 0 0 62 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.894 109.9 51.8 -49.4 -50.2 25.7 10.3 -39.4 530 175 B R H > S+ 0 0 94 1,-0.2 4,-1.4 2,-0.2 86,-0.1 0.863 109.8 49.5 -59.2 -37.8 22.2 9.0 -38.7 531 176 B Q H > S+ 0 0 70 -3,-0.4 4,-0.8 2,-0.2 -45,-0.3 0.844 111.1 50.0 -69.3 -34.7 22.6 9.9 -35.0 532 177 B V H >X S+ 0 0 6 -4,-1.9 4,-2.0 1,-0.2 3,-0.8 0.913 105.6 57.9 -68.1 -42.2 23.8 13.4 -36.0 533 178 B K H 3X S+ 0 0 6 -4,-2.8 4,-2.1 1,-0.3 -2,-0.2 0.842 97.0 61.5 -56.7 -37.5 20.7 13.7 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563 208 B V + 0 0 94 -31,-0.1 2,-0.3 -30,-0.0 -1,-0.2 -0.990 23.7 168.7-122.8 117.9 29.0 14.7 -41.8 564 209 B Y - 0 0 12 -2,-0.5 -32,-0.0 -39,-0.2 3,-0.0 -0.899 32.3-114.6-131.1 162.2 30.3 17.9 -40.3 565 210 B S > - 0 0 47 -2,-0.3 4,-1.9 1,-0.1 5,-0.2 -0.428 39.7-102.3 -86.5 165.3 33.6 19.3 -38.9 566 211 B P H > S+ 0 0 12 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.928 123.0 48.2 -53.6 -47.6 34.1 20.2 -35.2 567 212 B K H > S+ 0 0 109 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.859 106.7 55.8 -63.3 -38.1 33.7 23.9 -36.0 568 213 B Q H > S+ 0 0 79 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.882 110.3 45.6 -63.8 -37.6 30.5 23.4 -38.1 569 214 B L H X S+ 0 0 2 -4,-1.9 4,-2.9 2,-0.2 -1,-0.2 0.849 107.5 58.1 -73.2 -32.3 28.9 21.6 -35.1 570 215 B E H X S+ 0 0 32 -4,-1.9 4,-2.5 -5,-0.2 -2,-0.2 0.933 107.2 48.2 -61.3 -44.0 30.1 24.3 -32.7 571 216 B T H X S+ 0 0 21 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.920 110.9 50.6 -61.5 -44.4 28.2 26.8 -34.9 572 217 B F H X S+ 0 0 4 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.926 110.9 48.5 -59.8 -45.8 25.1 24.6 -34.9 573 218 B I H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.912 109.4 52.7 -61.8 -42.7 25.2 24.3 -31.1 574 219 B N H X S+ 0 0 19 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.895 108.3 51.7 -61.2 -38.3 25.6 28.1 -30.7 575 220 B F H X S+ 0 0 16 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.896 109.9 48.1 -65.0 -41.3 22.5 28.6 -32.9 576 221 B C H X S+ 0 0 1 -4,-2.0 4,-2.7 2,-0.2 5,-0.4 0.881 107.3 55.9 -68.0 -38.6 20.4 26.2 -30.7 577 222 B I H X S+ 0 0 11 -4,-2.3 4,-2.1 1,-0.2 5,-0.3 0.958 112.2 43.0 -56.2 -50.8 21.5 27.8 -27.5 578 223 B S H X S+ 0 0 65 -4,-1.9 4,-1.0 -5,-0.2 -2,-0.2 0.878 115.6 49.2 -63.4 -41.3 20.3 31.2 -28.8 579 224 B A H < S+ 0 0 5 -4,-2.2 4,-0.3 2,-0.2 -2,-0.2 0.976 118.4 34.8 -65.3 -56.8 17.1 29.8 -30.2 580 225 B K H >X S+ 0 0 5 -4,-2.7 4,-3.3 1,-0.2 3,-1.5 0.923 118.1 49.2 -67.6 -45.6 15.9 27.8 -27.2 581 226 B M H 3X S+ 0 0 15 -4,-2.1 4,-1.4 -5,-0.4 -1,-0.2 0.732 95.3 71.9 -69.5 -20.1 17.1 30.1 -24.4 582 227 B S H 3< S+ 0 0 81 -4,-1.0 -1,-0.3 -5,-0.3 -2,-0.2 0.726 119.1 21.2 -64.8 -17.5 15.6 33.1 -26.1 583 228 B V H X> S+ 0 0 25 -3,-1.5 4,-1.8 -4,-0.3 3,-1.0 0.750 123.4 50.8-115.3 -46.3 12.3 31.5 -24.9 584 229 B L H 3< S+ 0 0 0 -4,-3.3 -3,-0.2 1,-0.2 -2,-0.1 0.601 86.2 83.2 -75.5 -12.0 13.1 29.1 -22.1 585 230 B S T 3< S+ 0 0 47 -4,-1.4 -221,-1.9 -5,-0.3 -1,-0.2 0.842 113.0 21.7 -58.4 -29.7 15.1 31.5 -20.0 586 231 B E T <4 S+ 0 0 180 -3,-1.0 2,-1.8 1,-0.2 -2,-0.2 0.822 121.0 56.5-102.8 -48.3 11.6 32.6 -18.8 587 232 B D >< + 0 0 19 -4,-1.8 3,-1.6 1,-0.2 -1,-0.2 -0.516 65.4 166.3 -87.3 70.8 9.4 29.6 -19.5 588 233 B I T 3 S+ 0 0 16 -2,-1.8 -93,-0.4 1,-0.3 -1,-0.2 0.782 73.8 45.8 -57.1 -32.3 11.5 27.2 -17.4 589 234 B Y T 3 S- 0 0 109 -3,-0.2 -1,-0.3 -95,-0.1 -2,-0.1 0.390 104.4-127.7 -94.5 2.8 8.8 24.5 -17.4 590 235 B E S < S+ 0 0 14 -3,-1.6 -2,-0.1 -6,-0.1 -6,-0.1 0.857 72.7 123.4 54.1 41.6 8.0 24.8 -21.1 591 236 B K S S+ 0 0 129 3,-0.1 -1,-0.1 4,-0.0 -3,-0.1 0.484 71.9 28.0-108.3 -6.5 4.3 25.2 -20.4 592 237 B K S > S- 0 0 163 -5,-0.1 3,-2.1 100,-0.1 4,-0.2 0.292 135.7 -9.9-118.2-114.4 3.7 28.5 -22.1 593 238 B K G > S+ 0 0 158 1,-0.3 3,-1.9 2,-0.2 4,-0.2 0.803 125.9 72.7 -60.4 -26.5 5.6 30.0 -25.1 594 239 B G G > S+ 0 0 0 1,-0.3 3,-1.8 -11,-0.2 -1,-0.3 0.675 74.5 81.3 -62.2 -17.4 8.1 27.1 -24.5 595 240 B L G X S+ 0 0 37 -3,-2.1 3,-2.0 1,-0.3 -1,-0.3 0.673 71.5 80.9 -62.2 -17.1 5.4 24.8 -25.9 596 241 B I G X S+ 0 0 7 -3,-1.9 3,-1.5 1,-0.3 -1,-0.3 0.794 79.6 64.8 -61.3 -27.6 6.6 25.9 -29.3 597 242 B F G < S+ 0 0 5 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.431 87.5 72.8 -76.5 4.7 9.6 23.5 -29.1 598 243 B E G X> + 0 0 56 -3,-2.0 3,-2.1 -4,-0.1 4,-0.6 0.280 67.8 136.0 -98.0 6.2 6.9 20.7 -29.1 599 244 B Y T <4 S+ 0 0 0 -3,-1.5 26,-0.2 1,-0.3 25,-0.1 -0.351 76.0 10.2 -59.2 129.9 6.3 21.3 -32.8 600 245 B G T 3> S+ 0 0 6 78,-0.4 4,-1.1 24,-0.3 -1,-0.3 0.297 105.4 99.1 83.3 -8.9 6.1 18.0 -34.7 601 246 B H H <> + 0 0 23 -3,-2.1 4,-2.2 3,-0.2 5,-0.3 0.728 63.0 70.1 -83.4 -24.8 6.0 16.1 -31.4 602 247 B T H X S+ 0 0 34 -4,-0.6 4,-0.6 1,-0.2 -1,-0.1 0.963 121.1 15.7 -59.4 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