==== 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 09-MAR-11 3R12 . COMPND 2 MOLECULE: DEOXYRIBOSE-PHOSPHATE ALDOLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 510 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20598.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 387 75.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 73 14.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 19 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 217 42.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.7 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 0 2 0 2 2 2 0 2 2 3 5 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 9 5 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 -7 A K > 0 0 118 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -34.0 -21.4 41.1 47.7 2 -6 A I H > + 0 0 131 2,-0.2 4,-2.4 3,-0.2 5,-0.1 0.878 360.0 45.8 -67.5 -40.5 -18.6 39.7 45.5 3 -5 A H H > S+ 0 0 106 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.824 113.0 48.2 -77.0 -35.3 -16.7 38.4 48.6 4 -4 A H H > S+ 0 0 132 2,-0.2 4,-2.2 3,-0.2 -1,-0.2 0.850 112.4 50.4 -70.2 -34.5 -19.8 37.0 50.2 5 -3 A H H X S+ 0 0 104 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.937 113.2 45.5 -64.2 -44.7 -20.6 35.3 46.8 6 -2 A H H X S+ 0 0 45 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.888 109.3 55.2 -66.6 -36.8 -17.1 34.0 46.7 7 -1 A H H X S+ 0 0 57 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.940 109.3 48.7 -54.9 -47.9 -17.4 32.9 50.4 8 0 A H H X S+ 0 0 70 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.891 109.9 50.1 -59.0 -43.7 -20.5 30.9 49.3 9 1 A X H X S+ 0 0 82 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.889 110.8 50.4 -64.3 -39.7 -18.6 29.3 46.3 10 2 A I H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.940 108.3 52.3 -63.4 -45.7 -15.8 28.3 48.7 11 3 A E H X S+ 0 0 49 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.893 109.2 50.0 -57.9 -44.2 -18.3 26.8 51.1 12 4 A Y H X S+ 0 0 111 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.908 109.7 50.2 -60.5 -42.8 -19.8 24.7 48.3 13 5 A R H X S+ 0 0 58 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.914 111.4 49.1 -63.0 -41.5 -16.4 23.5 47.1 14 6 A I H X S+ 0 0 9 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.952 111.2 50.1 -59.3 -48.8 -15.5 22.4 50.7 15 7 A E H X S+ 0 0 90 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.880 108.2 52.6 -58.5 -41.5 -18.9 20.6 51.0 16 8 A E H X S+ 0 0 100 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.891 111.9 45.5 -62.3 -39.2 -18.3 18.8 47.8 17 9 A A H X S+ 0 0 15 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.878 113.2 50.0 -71.2 -40.1 -14.9 17.6 49.1 18 10 A V H X S+ 0 0 9 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.945 111.1 49.2 -63.1 -45.8 -16.4 16.6 52.4 19 11 A A H X S+ 0 0 52 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.896 113.1 46.8 -56.7 -46.0 -19.1 14.6 50.7 20 12 A K H X>S+ 0 0 123 -4,-2.0 4,-2.9 2,-0.2 5,-0.5 0.890 111.9 50.8 -65.3 -40.5 -16.6 12.8 48.4 21 13 A Y H X5S+ 0 0 65 -4,-2.4 4,-1.8 3,-0.2 -2,-0.2 0.919 111.6 48.5 -60.9 -47.1 -14.4 12.1 51.5 22 14 A R H <5S+ 0 0 169 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.871 120.6 35.2 -63.0 -39.9 -17.4 10.7 53.3 23 15 A E H <5S+ 0 0 145 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.878 135.3 16.0 -83.2 -36.0 -18.5 8.4 50.4 24 16 A F H <5S+ 0 0 124 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.626 83.3 121.3-117.8 -18.7 -15.2 7.4 48.9 25 17 A Y << + 0 0 49 -4,-1.8 2,-0.3 -5,-0.5 179,-0.0 -0.227 28.8 173.9 -63.4 137.3 -12.2 8.0 51.2 26 18 A E - 0 0 57 2,-0.1 2,-0.7 178,-0.0 -2,-0.0 -0.980 29.5-130.1-138.3 132.6 -10.0 5.0 52.2 27 19 A F + 0 0 84 -2,-0.3 173,-0.1 177,-0.0 206,-0.0 -0.731 52.9 130.5 -80.7 112.0 -6.7 5.3 54.2 28 20 A K - 0 0 135 -2,-0.7 -2,-0.1 205,-0.1 2,-0.0 -0.978 59.2 -79.8-156.8 161.2 -4.0 3.3 52.4 29 21 A P - 0 0 62 0, 0.0 204,-0.3 0, 0.0 3,-0.1 -0.317 21.7-152.0 -71.9 152.1 -0.5 3.8 51.2 30 22 A V S S+ 0 0 82 202,-2.8 2,-0.3 1,-0.2 203,-0.2 0.751 77.8 3.3 -88.0 -34.8 0.3 5.7 48.0 31 23 A R S S- 0 0 104 201,-1.8 -1,-0.2 200,-0.0 3,-0.1 -0.938 79.0 -95.7-145.2 167.3 3.6 3.9 47.3 32 24 A E S S- 0 0 111 -2,-0.3 -2,-0.1 1,-0.2 -1,-0.0 -0.238 74.7 -51.6 -74.2 174.9 5.8 1.0 48.6 33 25 A S - 0 0 88 1,-0.1 2,-0.2 -2,-0.1 -1,-0.2 -0.142 59.0-126.1 -58.8 146.5 8.7 2.0 50.9 34 26 A A - 0 0 7 194,-0.1 -1,-0.1 -3,-0.1 2,-0.1 -0.627 19.5-128.0 -90.7 149.2 11.1 4.7 49.7 35 27 A G > - 0 0 36 -2,-0.2 4,-2.5 1,-0.0 5,-0.2 -0.300 32.6 -92.4 -87.6 176.5 14.9 4.3 49.5 36 28 A I H > S+ 0 0 49 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.878 125.0 48.9 -55.9 -43.9 17.7 6.5 51.0 37 29 A E H > S+ 0 0 81 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.881 110.1 51.7 -68.7 -36.1 18.1 8.6 47.8 38 30 A D H > S+ 0 0 72 2,-0.2 4,-1.0 1,-0.2 -2,-0.2 0.931 111.1 48.4 -61.2 -46.7 14.3 9.2 47.7 39 31 A V H >X S+ 0 0 0 -4,-2.5 4,-1.2 1,-0.2 3,-0.9 0.953 111.2 49.0 -61.0 -47.4 14.4 10.3 51.3 40 32 A K H >< S+ 0 0 17 -4,-2.7 30,-1.2 1,-0.3 3,-0.6 0.897 109.3 52.8 -57.0 -43.5 17.3 12.7 50.7 41 33 A S H 3< S+ 0 0 72 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.707 110.6 49.1 -66.1 -21.7 15.6 14.2 47.7 42 34 A A H << S+ 0 0 6 -4,-1.0 196,-2.5 -3,-0.9 2,-0.2 0.668 89.3 105.3 -86.7 -23.7 12.5 14.9 49.8 43 35 A I E << -a 238 0A 0 -4,-1.2 28,-1.4 -3,-0.6 27,-1.0 -0.460 45.8-170.9 -78.8 130.0 14.3 16.5 52.7 44 36 A E E -ab 239 71A 0 194,-2.7 196,-1.7 -2,-0.2 2,-0.5 -0.972 29.8-140.2-109.8 103.8 14.2 20.2 53.4 45 37 A H E -ab 240 72A 2 26,-2.7 28,-2.0 -2,-0.6 2,-0.3 -0.619 28.7-158.1 -81.5 118.9 16.8 20.3 56.1 46 38 A T E + b 0 73A 17 194,-2.5 2,-0.3 -2,-0.5 28,-0.2 -0.743 38.1 168.0-118.2 139.8 15.6 22.8 58.8 47 39 A N E + b 0 74A 33 26,-2.4 28,-0.6 -2,-0.3 -2,-0.0 -0.772 19.7 150.5-141.0 106.8 16.6 25.1 61.6 48 40 A L + 0 0 14 -2,-0.3 311,-0.1 26,-0.2 26,-0.1 0.076 27.5 137.1-115.4 14.1 13.8 27.4 62.7 49 41 A K > - 0 0 94 1,-0.1 3,-1.8 2,-0.1 26,-0.1 -0.420 57.9-134.5 -68.0 137.2 14.9 27.7 66.3 50 42 A P T 3 S+ 0 0 5 0, 0.0 337,-1.6 0, 0.0 -1,-0.1 0.782 106.0 53.6 -65.7 -20.9 14.7 31.3 67.6 51 43 A F T 3 S+ 0 0 75 335,-0.2 2,-0.1 336,-0.1 -2,-0.1 0.289 77.9 130.5 -94.9 7.4 18.2 30.8 69.2 52 44 A A < - 0 0 3 -3,-1.8 335,-0.1 4,-0.1 339,-0.1 -0.423 44.1-153.8 -64.5 136.8 19.9 29.7 65.9 53 45 A T > - 0 0 24 -2,-0.1 4,-1.8 337,-0.1 5,-0.2 -0.552 31.0-100.1-103.2 168.3 23.1 31.6 65.2 54 46 A P H > S+ 0 0 19 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.907 125.1 54.3 -56.1 -39.4 24.8 32.3 61.9 55 47 A D H > S+ 0 0 115 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.875 104.8 54.8 -63.6 -37.0 27.3 29.5 62.6 56 48 A D H > S+ 0 0 65 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.908 109.4 47.1 -58.2 -44.1 24.3 27.1 63.1 57 49 A I H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.912 109.7 52.8 -68.2 -41.0 23.0 28.1 59.6 58 50 A K H X S+ 0 0 87 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.928 111.3 47.2 -54.9 -43.3 26.4 27.7 58.1 59 51 A K H X S+ 0 0 61 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.905 110.7 52.2 -65.0 -40.7 26.4 24.1 59.6 60 52 A L H X S+ 0 0 8 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.938 111.3 46.6 -62.1 -46.8 22.9 23.4 58.3 61 53 A C H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.910 111.0 51.2 -65.2 -41.7 23.9 24.5 54.8 62 54 A L H X S+ 0 0 71 -4,-2.2 4,-3.1 1,-0.2 5,-0.2 0.955 110.1 50.7 -56.4 -50.8 27.1 22.4 54.9 63 55 A E H X S+ 0 0 53 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.853 108.6 51.6 -55.7 -39.7 25.0 19.4 56.0 64 56 A A H <>S+ 0 0 0 -4,-2.1 5,-1.7 2,-0.2 4,-0.4 0.890 112.9 45.6 -65.8 -40.7 22.6 19.9 53.1 65 57 A R H ><5S+ 0 0 87 -4,-2.2 3,-0.9 3,-0.2 -2,-0.2 0.940 113.7 48.7 -63.8 -50.7 25.5 20.0 50.7 66 58 A E H 3<5S+ 0 0 129 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.873 121.1 34.9 -57.4 -40.5 27.2 16.9 52.2 67 59 A N T 3<5S- 0 0 25 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.289 105.1-124.2-100.3 6.3 23.9 14.8 52.2 68 60 A R T < 5 + 0 0 137 -3,-0.9 -3,-0.2 -4,-0.4 -4,-0.1 0.858 43.2 179.6 45.6 49.3 22.5 16.2 48.9 69 61 A F < - 0 0 5 -5,-1.7 -28,-0.2 -6,-0.2 -1,-0.1 -0.389 38.8-115.8 -71.3 155.3 19.2 17.4 50.5 70 62 A H S S- 0 0 51 -30,-1.2 22,-2.4 -27,-1.0 2,-0.3 0.882 81.8 -35.7 -56.7 -41.4 16.6 19.1 48.4 71 63 A G E -bc 44 92A 0 -28,-1.4 -26,-2.7 20,-0.3 2,-0.3 -0.952 53.6-106.3-165.5 172.5 16.8 22.3 50.3 72 64 A V E -bc 45 93A 0 20,-2.9 22,-3.1 -2,-0.3 2,-0.4 -0.896 22.2-150.7-109.0 158.6 17.3 24.1 53.6 73 65 A C E +bc 46 94A 1 -28,-2.0 -26,-2.4 -2,-0.3 2,-0.3 -0.987 26.5 159.4-135.5 119.1 14.6 25.9 55.6 74 66 A V E -bc 47 95A 0 20,-2.0 22,-0.6 -2,-0.4 -26,-0.2 -0.864 44.5 -87.3-133.7 161.3 15.6 28.9 57.7 75 67 A N > - 0 0 6 -28,-0.6 3,-1.8 -2,-0.3 4,-0.2 -0.256 49.7-103.0 -68.3 156.8 13.9 31.9 59.3 76 68 A P G > S+ 0 0 3 0, 0.0 3,-1.7 0, 0.0 4,-0.4 0.847 117.0 63.8 -57.4 -33.3 13.7 35.0 57.2 77 69 A C G 3 S+ 0 0 26 282,-2.9 4,-0.2 1,-0.3 3,-0.2 0.724 106.4 47.2 -61.3 -20.9 16.6 36.8 58.8 78 70 A Y G <> S+ 0 0 12 -3,-1.8 4,-2.5 281,-0.3 -1,-0.3 0.289 80.3 99.4-104.9 11.1 18.9 34.1 57.6 79 71 A V H <> S+ 0 0 0 -3,-1.7 4,-2.6 -4,-0.2 5,-0.2 0.913 83.9 47.2 -65.2 -47.6 17.8 33.8 54.0 80 72 A K H > S+ 0 0 61 -4,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.905 113.5 50.4 -63.1 -38.5 20.6 35.9 52.5 81 73 A L H > S+ 0 0 29 -4,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.926 111.1 46.9 -63.7 -47.7 23.2 34.0 54.5 82 74 A A H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.908 112.2 51.4 -62.6 -41.1 21.8 30.6 53.4 83 75 A R H X S+ 0 0 68 -4,-2.6 4,-0.8 2,-0.2 -2,-0.2 0.916 112.6 46.0 -57.0 -46.9 21.8 31.9 49.8 84 76 A E H >< S+ 0 0 127 -4,-2.5 3,-0.8 1,-0.2 -2,-0.2 0.937 113.2 48.9 -60.7 -47.7 25.5 33.0 50.2 85 77 A E H 3< S+ 0 0 59 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.811 118.5 40.5 -62.0 -30.2 26.4 29.7 51.8 86 78 A L H >< S+ 0 0 0 -4,-1.8 3,-2.4 -5,-0.2 5,-0.3 0.403 79.9 140.2-104.3 0.2 24.7 27.7 49.0 87 79 A E T << S+ 0 0 124 -3,-0.8 3,-0.1 -4,-0.8 -3,-0.1 -0.149 73.4 20.4 -49.2 129.7 25.7 29.8 46.0 88 80 A G T 3 S+ 0 0 85 1,-0.3 -1,-0.3 3,-0.0 2,-0.2 0.420 106.7 97.6 86.9 -1.4 26.6 27.5 43.0 89 81 A T S < S- 0 0 49 -3,-2.4 -1,-0.3 2,-0.2 -3,-0.1 -0.716 76.4-128.0-107.6 169.2 24.6 24.5 44.4 90 82 A D + 0 0 154 -2,-0.2 2,-0.4 -3,-0.1 -3,-0.1 0.279 67.3 127.3 -96.0 8.3 21.1 23.4 43.5 91 83 A V - 0 0 13 -5,-0.3 -20,-0.3 1,-0.1 -2,-0.2 -0.551 59.4-130.1 -66.4 122.6 20.2 23.3 47.2 92 84 A K E -c 71 0A 76 -22,-2.4 -20,-2.9 -2,-0.4 2,-0.6 -0.416 5.7-136.6 -77.7 149.5 17.0 25.3 47.5 93 85 A V E -c 72 0A 0 27,-0.2 29,-3.2 -22,-0.2 30,-1.6 -0.941 26.2-178.3-108.5 113.2 16.5 28.0 50.1 94 86 A V E -cd 73 123A 0 -22,-3.1 -20,-2.0 -2,-0.6 2,-0.3 -0.880 0.8-179.4-109.6 137.1 13.1 27.8 51.8 95 87 A T E -cd 74 124A 0 28,-2.0 30,-2.9 -2,-0.4 2,-0.3 -0.795 23.8-111.5-129.4 177.8 11.8 30.2 54.4 96 88 A V E - d 0 125A 1 -22,-0.6 2,-0.4 -2,-0.3 30,-0.2 -0.866 18.8-157.0-115.9 146.0 8.7 30.7 56.5 97 89 A V E S- d 0 126A 0 28,-2.1 30,-1.9 -2,-0.3 12,-0.1 -0.981 77.9 -3.2-128.5 129.7 6.1 33.5 56.3 98 90 A G S > S- 0 0 2 -2,-0.4 4,-2.5 1,-0.2 6,-0.2 0.831 104.0-152.9 58.1 40.1 3.8 34.4 59.1 99 91 A F T 4 - 0 0 11 1,-0.2 258,-0.3 2,-0.2 -1,-0.2 -0.768 44.1 -9.3-114.4 142.6 5.3 31.6 61.1 100 92 A P T 4 S+ 0 0 2 0, 0.0 -1,-0.2 0, 0.0 92,-0.1 -0.995 133.3 36.4 -93.7 -1.5 4.6 29.8 63.3 101 93 A L T 4 S- 0 0 7 254,-0.3 29,-0.4 26,-0.1 -2,-0.2 0.726 75.9-149.3 -89.8 -20.4 1.3 31.3 64.4 102 94 A G < + 0 0 0 -4,-2.5 -3,-0.1 27,-0.1 -1,-0.1 0.595 62.8 116.7 67.9 13.1 -0.2 32.5 61.1 103 95 A A + 0 0 5 -5,-0.1 230,-2.4 26,-0.1 231,-0.3 0.086 37.9 115.4-108.4 17.4 -2.0 35.4 62.9 104 96 A N S S- 0 0 16 228,-0.2 2,-0.1 -6,-0.2 227,-0.1 -0.375 80.0 -84.5 -76.9 162.7 -0.3 38.4 61.2 105 97 A E >> - 0 0 22 1,-0.1 4,-1.7 -2,-0.1 3,-0.5 -0.431 41.7-117.9 -61.7 144.1 -2.2 40.9 59.1 106 98 A T H 3> S+ 0 0 31 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.889 114.9 56.5 -50.4 -45.7 -2.4 39.5 55.5 107 99 A R H 3> S+ 0 0 85 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.841 104.2 53.7 -63.7 -30.3 -0.3 42.5 54.2 108 100 A T H <> S+ 0 0 2 -3,-0.5 4,-2.8 2,-0.2 -1,-0.2 0.909 109.0 48.1 -64.2 -45.6 2.5 41.6 56.6 109 101 A K H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.924 113.3 47.9 -61.0 -43.9 2.5 38.0 55.3 110 102 A A H X S+ 0 0 6 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.938 113.3 47.0 -64.2 -46.4 2.6 39.4 51.7 111 103 A H H X S+ 0 0 63 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.908 110.7 52.6 -58.1 -46.4 5.4 41.9 52.5 112 104 A E H X S+ 0 0 1 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.899 109.7 49.3 -59.2 -41.3 7.4 39.2 54.3 113 105 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.914 112.0 47.8 -61.5 -46.6 7.1 36.9 51.2 114 106 A I H X S+ 0 0 58 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.936 113.5 47.6 -61.2 -49.8 8.2 39.7 48.9 115 107 A F H X S+ 0 0 17 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.898 110.2 53.7 -56.0 -40.6 11.2 40.5 51.2 116 108 A A H X>S+ 0 0 0 -4,-2.4 5,-2.7 2,-0.2 4,-0.7 0.923 110.2 45.4 -64.0 -44.9 12.1 36.8 51.4 117 109 A V H ><5S+ 0 0 40 -4,-2.2 3,-1.0 1,-0.2 -1,-0.2 0.908 111.3 53.3 -70.0 -39.8 12.3 36.4 47.6 118 110 A E H 3<5S+ 0 0 122 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.863 107.7 52.3 -57.4 -36.8 14.2 39.6 47.3 119 111 A S H 3<5S- 0 0 28 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.599 134.2 -88.0 -78.4 -11.2 16.7 38.2 49.9 120 112 A G T <<5S+ 0 0 18 -3,-1.0 -3,-0.2 -4,-0.7 -27,-0.2 0.511 70.6 154.9 118.3 10.6 17.1 35.0 47.8 121 113 A A < - 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0 0 36 3,-0.0 -4,-0.4 0, 0.0 -31,-0.3 -0.971 62.2-151.6-173.8 166.2 9.9 28.9 80.2 452 188 B G - 0 0 22 -2,-0.3 23,-0.3 1,-0.2 24,-0.2 -0.222 49.3 -16.4-129.1-145.8 8.2 32.1 81.4 453 189 B A - 0 0 23 22,-2.0 2,-0.3 21,-0.5 -1,-0.2 -0.353 49.0-179.2 -76.0 138.0 8.5 34.8 84.1 454 190 B T > - 0 0 53 -2,-0.1 4,-2.6 1,-0.1 5,-0.2 -0.972 34.9-126.8-126.1 153.0 10.6 34.4 87.2 455 191 B A H > S+ 0 0 2 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.877 111.9 55.5 -62.7 -36.0 11.0 36.9 90.0 456 192 B E H > S+ 0 0 96 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.902 111.1 43.8 -63.8 -42.7 14.8 36.7 89.7 457 193 B D H > S+ 0 0 15 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.946 113.6 49.9 -66.4 -48.0 14.6 37.6 86.0 458 194 B V H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.895 114.2 45.6 -56.6 -46.4 12.0 40.4 86.5 459 195 B H H X S+ 0 0 10 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.888 111.2 50.6 -70.8 -40.9 14.1 41.9 89.3 460 196 B L H X S+ 0 0 9 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.953 113.5 47.0 -57.4 -48.3 17.4 41.7 87.4 461 197 B X H X S+ 0 0 2 -4,-2.7 4,-2.8 1,-0.2 5,-0.3 0.926 112.4 48.6 -63.9 -45.8 15.8 43.4 84.3 462 198 B K H X S+ 0 0 25 -4,-2.4 4,-2.7 -5,-0.2 -1,-0.2 0.903 111.2 50.6 -59.7 -41.2 14.3 46.1 86.4 463 199 B W H < S+ 0 0 91 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.890 114.4 44.8 -65.1 -40.5 17.6 46.7 88.2 464 200 B I H < S+ 0 0 25 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.945 120.9 37.3 -68.2 -46.1 19.4 47.0 84.8 465 201 B V H < S- 0 0 2 -4,-2.8 3,-0.3 -5,-0.2 -2,-0.2 0.769 100.9-153.9 -84.4 -29.7 16.9 49.2 83.1 466 202 B G >< - 0 0 22 -4,-2.7 3,-1.1 -5,-0.3 -1,-0.2 -0.184 34.8 -41.8 91.2-174.1 15.9 51.4 86.0 467 203 B D T 3 S+ 0 0 152 1,-0.2 -1,-0.2 -4,-0.1 -4,-0.1 0.601 127.0 52.9 -69.9 -19.0 12.9 53.5 87.2 468 204 B E T 3 S+ 0 0 192 -3,-0.3 2,-0.4 2,-0.1 -1,-0.2 0.329 99.5 67.2-110.0 8.1 12.1 55.1 83.9 469 205 B X S < S- 0 0 17 -3,-1.1 -28,-0.2 -7,-0.1 2,-0.2 -0.950 79.6-125.5-118.7 150.5 11.8 51.9 81.9 470 206 B G E -o 441 0B 6 -30,-2.8 -28,-1.9 -2,-0.4 2,-0.4 -0.565 9.2-152.0 -91.5 154.9 9.1 49.3 82.3 471 207 B V E -o 442 0B 0 19,-0.3 21,-3.2 -30,-0.2 22,-1.8 -0.999 8.2-161.8-122.7 127.5 9.3 45.6 82.9 472 208 B K E -op 443 493B 0 -30,-2.4 -28,-2.1 -2,-0.4 2,-0.5 -0.953 7.9-152.3-108.4 116.6 6.5 43.4 81.8 473 209 B A E + p 0 494B 0 20,-2.5 22,-3.0 -2,-0.6 2,-0.3 -0.773 27.6 162.4 -89.3 128.0 6.4 39.9 83.4 474 210 B S E + p 0 495B 4 -2,-0.5 -21,-0.5 20,-0.2 -27,-0.2 -0.984 25.4 56.9-147.6 154.2 4.8 37.2 81.1 475 211 B G S S+ 0 0 16 20,-0.8 -22,-2.0 -2,-0.3 -1,-0.1 0.686 102.5 19.4 95.6 113.9 4.5 33.5 80.7 476 212 B G S S+ 0 0 48 1,-0.2 2,-1.1 -24,-0.2 3,-0.2 0.548 74.9 140.8 82.7 6.6 3.2 31.1 83.4 477 213 B I + 0 0 5 18,-0.3 21,-0.5 1,-0.2 -1,-0.2 -0.756 13.9 147.2 -89.4 99.1 1.4 33.8 85.5 478 214 B R + 0 0 109 -2,-1.1 2,-0.2 -3,-0.1 -1,-0.2 0.666 50.0 46.0-106.9 -27.0 -1.7 31.8 86.5 479 215 B T S > S- 0 0 51 -3,-0.2 4,-2.2 1,-0.1 23,-0.2 -0.744 78.3-112.6-124.6 168.1 -2.6 33.1 89.9 480 216 B F H > S+ 0 0 9 21,-0.3 4,-2.7 -2,-0.2 5,-0.2 0.885 119.7 51.5 -62.7 -42.8 -3.1 36.3 91.9 481 217 B E H > S+ 0 0 67 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.878 107.4 52.4 -64.7 -40.5 -0.1 35.4 94.1 482 218 B D H > S+ 0 0 59 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.937 112.1 47.5 -56.5 -47.1 2.0 34.8 90.9 483 219 B A H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.909 112.3 48.2 -62.5 -45.4 0.9 38.4 89.7 484 220 B V H X S+ 0 0 15 -4,-2.7 4,-2.9 1,-0.2 -1,-0.2 0.927 109.1 53.2 -63.4 -45.2 1.7 40.0 93.1 485 221 B K H X S+ 0 0 102 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.913 108.0 49.8 -53.8 -48.0 5.1 38.4 93.3 486 222 B X H <>S+ 0 0 12 -4,-1.9 5,-2.8 1,-0.2 -1,-0.2 0.893 112.6 47.6 -63.2 -40.9 6.2 39.7 89.9 487 223 B I H ><5S+ 0 0 9 -4,-1.8 3,-1.4 3,-0.2 -2,-0.2 0.905 109.0 54.4 -65.0 -41.2 5.0 43.2 90.8 488 224 B X H 3<5S+ 0 0 42 -4,-2.9 -202,-3.5 1,-0.3 -201,-1.3 0.851 109.5 48.4 -61.0 -34.9 6.8 43.0 94.2 489 225 B Y T 3<5S- 0 0 40 -4,-1.9 -1,-0.3 -204,-0.3 -2,-0.2 0.354 136.8 -74.5 -92.0 7.0 10.0 42.1 92.3 490 226 B G T < 5S+ 0 0 6 -3,-1.4 -19,-0.3 1,-0.3 2,-0.3 0.403 77.5 144.5 125.5 -1.4 9.8 45.0 89.8 491 227 B A < - 0 0 6 -5,-2.8 -1,-0.3 1,-0.2 -19,-0.2 -0.515 21.9-178.1 -73.0 132.4 7.1 44.2 87.2 492 228 B D S S+ 0 0 68 -21,-3.2 2,-0.3 -2,-0.3 -20,-0.2 0.664 74.9 27.7 -91.9 -30.2 5.2 47.2 85.9 493 229 B R E - p 0 472B 32 -22,-1.8 -20,-2.5 -7,-0.1 2,-0.5 -0.951 68.1-146.9-134.4 154.8 2.9 45.1 83.6 494 230 B I E -ip 299 473B 0 -196,-2.9 -194,-3.1 -2,-0.3 2,-0.6 -0.982 6.2-157.5-124.5 115.8 1.7 41.5 83.7 495 231 B G E +ip 300 474B 4 -22,-3.0 -20,-0.8 -2,-0.5 -18,-0.3 -0.857 36.8 138.2 -88.2 123.2 1.1 39.6 80.4 496 232 B T E -i 301 0B 6 -196,-1.8 -194,-2.6 -2,-0.6 3,-0.3 -0.980 54.7-150.4-160.4 150.0 -1.3 36.7 81.0 497 233 B S S S+ 0 0 62 -2,-0.3 3,-0.3 -196,-0.2 -19,-0.1 0.433 95.1 72.7 -91.4 -1.0 -4.3 34.9 79.7 498 234 B S > + 0 0 15 -21,-0.5 4,-2.8 1,-0.2 5,-0.2 0.108 56.2 126.4-103.4 22.2 -5.5 34.1 83.2 499 235 B G H > S+ 0 0 0 -3,-0.3 4,-2.4 1,-0.2 5,-0.2 0.839 71.1 49.9 -48.4 -45.1 -6.6 37.6 84.1 500 236 B V H > S+ 0 0 30 -3,-0.3 4,-2.6 1,-0.2 5,-0.3 0.945 114.8 42.8 -66.1 -47.5 -10.2 36.6 85.2 501 237 B K H > S+ 0 0 154 2,-0.2 4,-2.5 1,-0.2 -21,-0.3 0.862 111.0 57.4 -66.5 -32.8 -9.0 33.9 87.5 502 238 B I H X S+ 0 0 0 -4,-2.8 4,-1.7 2,-0.2 -2,-0.2 0.969 112.9 39.9 -59.1 -50.4 -6.2 36.1 88.8 503 239 B V H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.906 116.4 47.6 -65.8 -46.2 -8.8 38.8 89.8 504 240 B Q H X S+ 0 0 91 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.917 110.2 56.8 -61.5 -40.9 -11.4 36.4 91.2 505 241 B G H X S+ 0 0 4 -4,-2.5 4,-1.8 -5,-0.3 -2,-0.2 0.874 111.0 40.8 -53.6 -45.0 -8.5 34.7 93.0 506 242 B G H X>S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 5,-0.7 0.864 112.6 53.7 -76.3 -39.0 -7.5 37.9 94.8 507 243 B E H X5S+ 0 0 84 -4,-2.5 4,-1.3 4,-0.3 -2,-0.2 0.917 113.1 45.3 -58.1 -46.9 -11.1 39.1 95.5 508 244 B E H <5S+ 0 0 146 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.979 124.5 29.3 -60.0 -59.0 -11.9 35.7 97.2 509 245 B R H <5S+ 0 0 129 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.650 137.9 19.7 -84.7 -17.1 -8.7 35.4 99.3 510 246 B Y H <5 0 0 150 -4,-2.5 -3,-0.2 -5,-0.1 -2,-0.2 0.496 360.0 360.0-131.2 -11.6 -7.9 39.1 100.0 511 247 B G << 0 0 81 -4,-1.3 -4,-0.3 -5,-0.7 -3,-0.2 0.873 360.0 360.0 94.7 360.0 -11.1 41.2 99.3