==== 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 ISOMERASE 24-FEB-05 1YYA . COMPND 2 MOLECULE: TRIOSEPHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR H.YAMAMOTO,N.KUNISHIMA,RIKEN STRUCTURAL GENOMICS/PROTEOMICS . 500 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19271.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 347 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 71 14.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 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 . 34 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 168 33.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.4 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 4 4 0 2 0 0 2 2 2 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 5 1 8 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 . 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 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 1 A M 0 0 247 0, 0.0 2,-0.3 0, 0.0 203,-0.0 0.000 360.0 360.0 360.0 148.7 17.9 99.0 22.4 2 2 A R - 0 0 64 201,-0.1 2,-0.2 1,-0.1 203,-0.1 -0.539 360.0-114.1 -74.1 133.4 19.3 96.5 24.8 3 3 A R - 0 0 115 -2,-0.3 32,-0.1 201,-0.1 -1,-0.1 -0.501 34.3-115.3 -70.7 132.7 21.8 94.0 23.3 4 4 A V - 0 0 26 -2,-0.2 32,-3.0 245,-0.1 2,-0.4 -0.378 26.9-158.1 -69.2 144.7 20.4 90.4 23.3 5 5 A L E -ab 36 229A 0 223,-1.9 225,-1.5 30,-0.2 2,-0.6 -0.995 8.9-168.4-128.4 126.6 22.2 87.8 25.4 6 6 A V E -ab 37 230A 0 30,-2.8 32,-2.1 -2,-0.4 2,-0.5 -0.951 14.3-174.9-115.0 106.9 22.0 84.1 24.8 7 7 A A E -ab 38 231A 0 223,-2.6 225,-3.0 -2,-0.6 2,-0.8 -0.918 13.4-149.9-109.3 121.4 23.5 82.3 27.8 8 8 A G E -ab 39 232A 0 30,-2.9 32,-3.3 -2,-0.5 2,-1.0 -0.795 4.9-163.4 -95.8 111.5 23.9 78.5 27.7 9 9 A N E -a 40 0A 2 223,-3.1 227,-0.2 -2,-0.8 228,-0.1 -0.789 7.2-177.6 -92.7 99.7 23.7 76.8 31.1 10 10 A W - 0 0 1 30,-1.3 -1,-0.2 -2,-1.0 223,-0.1 0.640 19.3-166.9 -70.3 -14.3 25.1 73.3 30.6 11 11 A K - 0 0 19 29,-0.6 2,-1.5 1,-0.2 31,-0.3 -0.273 63.0 -15.2 55.6-144.8 24.4 72.5 34.2 12 12 A M B S+I 322 0B 0 310,-1.9 310,-2.2 -3,-0.1 2,-0.3 -0.552 106.2 115.7 -92.7 78.1 26.2 69.2 35.2 13 13 A H + 0 0 46 -2,-1.5 29,-0.4 308,-0.2 -3,-0.1 -0.977 49.9 16.2-142.4 152.0 27.1 67.9 31.7 14 14 A K - 0 0 36 -2,-0.3 315,-0.2 27,-0.1 28,-0.1 0.246 65.5-106.6 71.8 163.8 30.2 67.1 29.7 15 15 A T > - 0 0 2 1,-0.1 4,-2.7 320,-0.1 5,-0.2 -0.767 33.7-101.8-118.6 165.3 33.9 66.7 30.6 16 16 A P H > S+ 0 0 12 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.910 123.4 49.6 -56.2 -41.1 36.8 69.1 30.0 17 17 A S H > S+ 0 0 56 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.909 112.8 46.0 -65.6 -40.6 38.0 67.0 27.1 18 18 A E H > S+ 0 0 80 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.859 111.1 54.4 -68.9 -33.8 34.5 66.9 25.5 19 19 A A H X S+ 0 0 0 -4,-2.7 4,-3.1 1,-0.2 5,-0.3 0.864 100.2 59.3 -68.1 -36.7 34.2 70.6 26.1 20 20 A R H X S+ 0 0 108 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.924 108.5 45.4 -57.9 -44.1 37.4 71.4 24.3 21 21 A V H X S+ 0 0 79 -4,-1.3 4,-2.3 2,-0.2 -1,-0.2 0.941 113.3 49.8 -63.1 -48.6 36.0 69.8 21.1 22 22 A W H X S+ 0 0 17 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.921 112.9 45.9 -56.8 -49.6 32.6 71.6 21.5 23 23 A F H X S+ 0 0 0 -4,-3.1 4,-2.6 1,-0.2 -1,-0.2 0.879 111.5 52.1 -64.1 -39.2 34.3 75.0 22.0 24 24 A A H X S+ 0 0 49 -4,-2.1 4,-2.1 -5,-0.3 -1,-0.2 0.884 110.8 47.9 -65.4 -38.6 36.6 74.5 19.1 25 25 A E H X S+ 0 0 86 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.915 111.3 50.7 -67.7 -42.1 33.7 73.6 16.8 26 26 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.925 109.6 51.3 -60.5 -44.5 31.8 76.6 18.0 27 27 A K H < S+ 0 0 87 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.919 112.9 44.4 -59.5 -44.8 34.8 78.9 17.3 28 28 A R H < S+ 0 0 192 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.866 121.8 38.2 -68.9 -35.5 35.1 77.5 13.8 29 29 A L H < S+ 0 0 71 -4,-2.4 -2,-0.2 -5,-0.1 -1,-0.2 0.672 82.8 118.4 -90.1 -20.6 31.4 77.7 13.0 30 30 A L < - 0 0 40 -4,-2.6 3,-0.1 -5,-0.2 27,-0.0 -0.271 50.5-154.5 -54.9 118.3 30.4 80.9 14.7 31 31 A P - 0 0 43 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.435 36.3 -77.5 -88.5 167.9 29.1 83.4 12.2 32 32 A P - 0 0 129 0, 0.0 2,-0.3 0, 0.0 218,-0.0 -0.504 60.9-179.0 -67.9 126.6 29.2 87.2 12.7 33 33 A L - 0 0 45 -2,-0.3 4,-0.1 2,-0.1 214,-0.1 -0.962 36.3-151.6-132.6 149.2 26.4 88.2 15.1 34 34 A Q S S+ 0 0 157 -2,-0.3 -1,-0.1 2,-0.1 216,-0.1 0.845 81.2 72.6 -81.9 -37.8 25.1 91.4 16.7 35 35 A S S S- 0 0 16 215,-2.5 2,-0.4 211,-0.2 -30,-0.2 -0.115 88.4-105.5 -71.7 174.1 23.8 89.7 19.8 36 36 A E E -a 5 0A 9 -32,-3.0 -30,-2.8 22,-0.0 2,-0.4 -0.873 28.5-162.1-108.7 136.4 26.0 88.3 22.6 37 37 A A E +a 6 0A 8 20,-0.5 22,-2.6 -2,-0.4 2,-0.3 -0.898 12.2 170.8-116.9 145.3 26.7 84.6 23.2 38 38 A A E -ac 7 59A 0 -32,-2.1 -30,-2.9 -2,-0.4 2,-0.4 -0.988 19.4-150.7-152.4 143.9 28.0 83.0 26.4 39 39 A V E -ac 8 60A 0 20,-1.9 22,-1.5 -2,-0.3 -30,-0.2 -0.964 5.4-160.1-118.3 136.2 28.4 79.5 27.7 40 40 A L E +a 9 0A 0 -32,-3.3 -30,-1.3 -2,-0.4 -29,-0.6 -0.806 22.5 172.3-119.0 87.5 28.3 78.6 31.4 41 41 A P - 0 0 0 0, 0.0 22,-0.3 0, 0.0 -29,-0.1 -0.307 41.3 -74.2 -88.8 175.0 30.0 75.2 32.0 42 42 A A >> - 0 0 1 -29,-0.4 3,-2.3 -31,-0.3 4,-0.6 -0.283 56.2 -96.6 -65.7 155.0 30.9 73.4 35.2 43 43 A F G >4 S+ 0 0 12 1,-0.3 3,-1.5 2,-0.2 -1,-0.1 0.822 120.3 52.5 -42.0 -52.6 33.8 74.8 37.2 44 44 A P G 34 S+ 0 0 1 0, 0.0 4,-0.3 0, 0.0 -1,-0.3 0.568 104.5 59.1 -67.5 -5.2 36.6 72.5 35.9 45 45 A I G <> S+ 0 0 0 -3,-2.3 4,-1.7 1,-0.1 3,-0.3 0.572 81.7 86.3 -96.1 -12.3 35.7 73.3 32.3 46 46 A L H S+ 0 0 27 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.935 109.6 43.5 -61.1 -42.1 40.0 76.8 32.0 48 48 A V H > S+ 0 0 12 -4,-0.3 4,-2.7 -3,-0.3 5,-0.4 0.816 110.3 57.1 -72.2 -26.4 39.5 75.3 28.6 49 49 A A H X>S+ 0 0 0 -4,-1.7 4,-2.7 2,-0.2 5,-0.5 0.942 109.6 45.7 -64.9 -45.1 36.7 77.8 28.0 50 50 A K H X5S+ 0 0 79 -4,-2.5 4,-1.7 3,-0.2 -2,-0.2 0.930 113.8 49.7 -61.9 -45.4 39.2 80.5 28.6 51 51 A E H <5S+ 0 0 121 -4,-2.4 4,-0.3 -5,-0.2 -2,-0.2 0.939 121.8 29.8 -60.6 -51.3 41.8 78.8 26.4 52 52 A V H <5S+ 0 0 16 -4,-2.7 3,-0.2 1,-0.1 -2,-0.2 0.854 129.6 34.1 -81.7 -35.0 39.6 78.2 23.3 53 53 A L H ><5S+ 0 0 1 -4,-2.7 3,-2.9 -5,-0.4 5,-0.2 0.685 85.4 94.5 -97.4 -18.2 37.1 81.1 23.6 54 54 A A T 3< - 0 0 45 -2,-2.0 3,-2.4 3,-0.1 -1,-0.1 -0.665 51.4-150.2-131.8 74.4 35.2 76.8 52.8 74 74 A T T 3 S+ 0 0 1 1,-0.3 3,-0.1 -2,-0.3 -2,-0.1 -0.163 79.1 14.9 -49.7 129.8 36.0 73.3 51.4 75 75 A G T 3 S+ 0 0 7 1,-0.3 -1,-0.3 240,-0.1 2,-0.2 0.204 97.9 120.6 90.5 -15.0 34.5 72.8 48.0 76 76 A E < - 0 0 23 -3,-2.4 2,-0.4 238,-0.1 -1,-0.3 -0.533 52.0-143.1 -88.9 152.0 33.7 76.4 47.3 77 77 A V - 0 0 3 -2,-0.2 -11,-2.9 -3,-0.1 2,-0.1 -0.944 17.2-137.7-114.9 130.1 34.9 78.5 44.4 78 78 A S > - 0 0 5 -2,-0.4 4,-1.8 -13,-0.2 3,-0.4 -0.448 19.1-121.4 -89.7 159.0 35.7 82.2 44.8 79 79 A A H > S+ 0 0 6 -11,-0.4 4,-2.6 1,-0.2 5,-0.2 0.837 114.6 59.9 -63.0 -31.8 35.0 85.2 42.6 80 80 A R H > S+ 0 0 99 -11,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.862 103.4 50.6 -65.9 -34.2 38.7 85.8 42.5 81 81 A M H > S+ 0 0 0 -3,-0.4 4,-1.0 2,-0.2 -1,-0.2 0.914 111.5 48.5 -67.5 -40.9 39.2 82.4 40.9 82 82 A L H <>S+ 0 0 0 -4,-1.8 5,-2.2 1,-0.2 -2,-0.2 0.875 110.8 49.1 -67.5 -38.1 36.5 83.2 38.4 83 83 A S H ><5S+ 0 0 36 -4,-2.6 3,-1.4 1,-0.2 -1,-0.2 0.853 104.4 59.5 -70.7 -32.1 38.0 86.6 37.4 84 84 A D H 3<5S+ 0 0 37 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.845 107.2 48.7 -62.3 -30.8 41.5 85.0 37.0 85 85 A L T 3<5S- 0 0 5 -4,-1.0 -1,-0.3 -3,-0.2 -2,-0.2 0.453 118.4-114.1 -87.9 -1.7 39.8 82.8 34.4 86 86 A G T < 5 + 0 0 43 -3,-1.4 -26,-0.3 1,-0.2 -3,-0.2 0.759 48.2 176.0 76.8 25.1 38.2 85.8 32.7 87 87 A C < - 0 0 7 -5,-2.2 -26,-0.2 1,-0.2 -1,-0.2 -0.443 19.1-167.5 -65.0 131.5 34.6 84.9 33.4 88 88 A R S S+ 0 0 127 -28,-2.6 33,-2.6 -2,-0.2 2,-0.3 0.761 71.1 18.7 -88.6 -27.2 32.2 87.6 32.2 89 89 A Y E -de 61 121A 3 -29,-1.2 -27,-1.6 31,-0.2 2,-0.3 -0.850 54.4-168.5-137.1 170.8 29.3 86.1 34.1 90 90 A A E -de 62 122A 0 31,-1.4 33,-2.3 -29,-0.3 -27,-0.2 -0.877 26.5-125.0-162.1 127.6 28.3 83.8 36.9 91 91 A I E - e 0 123A 0 -29,-2.5 2,-0.4 -2,-0.3 33,-0.2 -0.558 28.7-173.7 -75.3 139.1 24.8 82.4 37.7 92 92 A V E + e 0 124A 1 31,-2.2 33,-2.3 -2,-0.2 -28,-0.1 -0.999 62.2 10.7-135.5 137.4 23.6 83.1 41.2 93 93 A G S S+ 0 0 0 -2,-0.4 -1,-0.1 31,-0.2 5,-0.1 0.759 73.7 179.5 72.1 25.8 20.4 81.8 42.8 94 94 A H >> - 0 0 0 -31,-0.3 4,-2.2 1,-0.1 3,-1.1 -0.312 40.4-114.1 -58.0 145.3 19.5 79.3 40.1 95 95 A S H 3> S+ 0 0 13 1,-0.3 4,-2.5 2,-0.2 5,-0.3 0.849 115.7 57.6 -48.8 -41.7 16.3 77.5 41.1 96 96 A E H 3> S+ 0 0 5 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.857 110.0 43.4 -62.1 -34.6 18.2 74.2 41.4 97 97 A R H <> S+ 0 0 13 -3,-1.1 6,-1.6 2,-0.2 4,-1.4 0.843 111.8 52.2 -80.8 -33.0 20.5 75.7 44.0 98 98 A R H < S+ 0 0 33 -4,-2.2 4,-0.3 4,-0.2 -2,-0.2 0.902 121.5 35.1 -66.8 -36.6 17.7 77.4 45.9 99 99 A R H < S+ 0 0 139 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.925 128.2 31.0 -82.8 -49.9 15.9 74.1 46.0 100 100 A Y H < S+ 0 0 109 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.1 0.713 131.3 33.1 -84.5 -21.8 18.6 71.5 46.4 101 101 A H S < S- 0 0 60 -4,-1.4 -1,-0.2 -5,-0.3 -3,-0.2 0.246 101.1-121.9-119.9 13.3 21.1 73.6 48.4 102 102 A G + 0 0 55 -4,-0.3 -4,-0.2 1,-0.2 2,-0.2 0.737 42.7 178.0 53.8 29.8 18.8 75.8 50.4 103 103 A E - 0 0 12 -6,-1.6 -1,-0.2 -9,-0.1 2,-0.2 -0.461 13.2-152.5 -67.8 129.3 20.2 79.0 49.0 104 104 A T > - 0 0 79 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.520 28.8-106.1 -97.5 167.0 18.3 82.0 50.4 105 105 A D H > S+ 0 0 48 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.908 122.8 53.6 -57.5 -41.9 17.7 85.5 49.0 106 106 A A H > S+ 0 0 64 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.877 108.8 47.3 -61.3 -40.5 20.3 86.8 51.5 107 107 A L H > S+ 0 0 58 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.910 110.5 52.3 -67.5 -42.5 22.9 84.3 50.3 108 108 A V H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.884 106.9 53.4 -61.2 -38.7 22.2 85.0 46.7 109 109 A A H X S+ 0 0 3 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.910 108.6 49.6 -62.5 -42.4 22.7 88.8 47.4 110 110 A E H X S+ 0 0 67 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.907 109.9 50.3 -63.6 -42.4 26.1 88.1 49.0 111 111 A K H X S+ 0 0 8 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.917 109.5 51.9 -61.8 -42.5 27.2 85.9 46.0 112 112 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.916 108.2 51.5 -60.3 -42.4 26.1 88.8 43.7 113 113 A K H X S+ 0 0 54 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.891 107.0 52.9 -62.7 -39.8 28.2 91.2 45.7 114 114 A R H X S+ 0 0 29 -4,-2.1 4,-0.8 1,-0.2 -1,-0.2 0.903 111.3 47.1 -62.2 -41.1 31.3 89.0 45.5 115 115 A L H ><>S+ 0 0 0 -4,-2.0 5,-2.6 1,-0.2 3,-1.0 0.941 109.7 52.4 -66.0 -47.2 30.9 88.9 41.7 116 116 A L H ><5S+ 0 0 27 -4,-2.6 3,-1.9 1,-0.3 -2,-0.2 0.902 103.5 57.7 -55.1 -44.3 30.4 92.6 41.4 117 117 A E H 3<5S+ 0 0 95 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.775 110.4 44.4 -58.4 -28.7 33.6 93.3 43.4 118 118 A E T <<5S- 0 0 78 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.294 119.9-106.9 -99.2 6.7 35.6 91.3 40.8 119 119 A G T < 5S+ 0 0 66 -3,-1.9 2,-0.4 -4,-0.3 -3,-0.2 0.707 74.3 137.8 76.8 19.3 33.9 92.8 37.8 120 120 A I < - 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0 0 11 -40,-2.5 45,-0.2 -2,-0.7 2,-0.1 -0.878 28.6-145.4-129.6 98.0 12.9 81.2 35.1 167 167 A P > - 0 0 0 0, 0.0 3,-2.0 0, 0.0 4,-0.4 -0.451 19.4-130.3 -62.8 134.0 9.5 80.0 36.5 168 168 A V G > S+ 0 0 34 -40,-1.4 3,-1.6 1,-0.3 -41,-0.0 0.871 105.0 58.6 -54.2 -40.4 10.3 76.7 38.3 169 169 A W G 3 S+ 0 0 47 -41,-0.7 6,-0.3 1,-0.3 -1,-0.3 0.558 101.4 57.1 -68.1 -7.8 7.6 74.8 36.5 170 170 A A G < S+ 0 0 0 -3,-2.0 2,-0.6 40,-0.1 4,-0.5 0.463 79.9 107.3-101.0 -3.7 9.2 75.6 33.2 171 171 A I S < S- 0 0 27 -3,-1.6 -5,-0.0 -4,-0.4 5,-0.0 -0.670 103.4 -24.9 -84.0 115.5 12.5 74.1 33.9 172 172 A G S S+ 0 0 78 -2,-0.6 -1,-0.2 1,-0.1 -2,-0.1 0.561 114.0 101.3 63.4 10.5 13.2 70.8 32.1 173 173 A T S S- 0 0 74 -3,-0.3 -2,-0.1 2,-0.1 -1,-0.1 0.582 88.1-124.5 -98.7 -14.8 9.4 70.2 31.8 174 174 A G S S+ 0 0 54 -4,-0.5 2,-1.0 1,-0.1 -4,-0.1 0.348 80.6 115.1 84.8 -7.4 9.0 71.3 28.2 175 175 A K - 0 0 154 -6,-0.3 -1,-0.1 3,-0.0 -2,-0.1 -0.699 46.4-177.6 -99.0 83.6 6.4 73.7 29.5 176 176 A N - 0 0 49 -2,-1.0 36,-0.1 36,-0.2 2,-0.1 -0.414 34.4-100.9 -78.1 156.3 7.8 77.2 28.8 177 177 A A - 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0 0 11 -40,-2.2 2,-0.2 -2,-0.8 45,-0.2 -0.914 29.1-141.6-126.5 104.0 39.3 65.4 61.7 418 167 B P > - 0 0 0 0, 0.0 3,-2.1 0, 0.0 4,-0.3 -0.472 17.0-135.9 -62.1 128.6 38.0 66.5 65.2 419 168 B V G > S+ 0 0 31 -40,-1.3 3,-1.5 1,-0.3 -41,-0.0 0.883 104.7 57.3 -55.0 -38.1 35.8 69.5 64.4 420 169 B W G 3 S+ 0 0 33 -41,-0.9 6,-0.3 1,-0.3 -1,-0.3 0.584 101.9 57.0 -69.4 -9.8 37.4 71.3 67.4 421 170 B A G < S+ 0 0 0 -3,-2.1 2,-0.7 40,-0.1 4,-0.4 0.399 80.1 107.6-101.5 1.0 40.9 70.8 65.8 422 171 B I S < S- 0 0 20 -3,-1.5 -5,-0.0 -4,-0.3 5,-0.0 -0.723 103.4 -25.8 -88.5 115.8 40.1 72.6 62.5 423 172 B G S S+ 0 0 76 -2,-0.7 -1,-0.2 1,-0.1 -2,-0.1 0.542 113.7 102.7 63.2 7.5 41.8 76.0 62.1 424 173 B T S S- 0 0 77 2,-0.1 -2,-0.1 -3,-0.1 -1,-0.1 0.621 87.8-125.2 -93.6 -16.6 41.8 76.3 65.9 425 174 B G S S+ 0 0 59 -4,-0.4 2,-0.8 1,-0.1 -4,-0.1 0.385 79.1 111.0 86.9 -4.8 45.5 75.5 66.2 426 175 B K - 0 0 100 -6,-0.3 2,-0.1 38,-0.0 -1,-0.1 -0.837 49.7-169.9-108.6 98.0 44.7 72.7 68.7 427 176 B N - 0 0 46 -2,-0.8 36,-0.1 36,-0.2 35,-0.1 -0.484 32.0 -98.3 -83.0 154.7 45.5 69.3 67.2 428 177 B A - 0 0 1 34,-0.3 -1,-0.1 33,-0.2 32,-0.0 -0.404 47.2-100.8 -68.5 148.8 44.4 66.1 68.9 429 178 B T > - 0 0 62 1,-0.1 4,-2.7 -2,-0.1 3,-0.3 -0.379 29.6-112.6 -69.1 150.8 47.2 64.4 70.8 430 179 B P H > S+ 0 0 25 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.870 119.5 54.3 -51.1 -36.3 48.9 61.5 69.1 431 180 B E H > S+ 0 0 121 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.904 109.7 43.9 -65.8 -44.1 47.4 59.3 71.8 432 181 B D H > S+ 0 0 64 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.888 114.4 50.1 -69.7 -38.5 43.8 60.5 71.1 433 182 B A H X S+ 0 0 0 -4,-2.7 4,-3.0 2,-0.2 5,-0.2 0.951 111.0 49.4 -63.3 -48.7 44.2 60.3 67.4 434 183 B E H X S+ 0 0 15 -4,-2.6 4,-2.1 -5,-0.3 -2,-0.2 0.903 109.9 51.9 -56.0 -44.4 45.6 56.8 67.7 435 184 B A H X S+ 0 0 52 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.915 112.8 44.4 -60.3 -44.2 42.7 55.8 69.9 436 185 B M H X S+ 0 0 2 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.922 111.5 52.0 -68.1 -44.1 40.2 57.1 67.4 437 186 B H H X S+ 0 0 0 -4,-3.0 4,-2.8 1,-0.2 -1,-0.2 0.860 107.8 53.4 -61.1 -34.9 41.9 55.6 64.3 438 187 B Q H X S+ 0 0 106 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.918 110.0 46.9 -65.3 -42.2 41.9 52.2 66.1 439 188 B A H X S+ 0 0 22 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.909 113.8 48.7 -65.0 -42.4 38.2 52.4 66.7 440 189 B I H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.929 110.9 49.0 -63.5 -46.4 37.7 53.5 63.0 441 190 B R H X S+ 0 0 17 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.870 109.9 52.2 -62.9 -36.4 39.8 50.6 61.7 442 191 B K H X S+ 0 0 141 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.899 109.4 49.7 -65.8 -38.9 37.9 48.1 63.8 443 192 B A H X S+ 0 0 5 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.893 109.7 51.3 -65.6 -39.7 34.7 49.5 62.4 444 193 B L H X S+ 0 0 1 -4,-2.3 4,-3.3 1,-0.2 5,-0.4 0.857 106.8 55.0 -65.5 -34.0 36.1 49.1 58.9 445 194 B S H X S+ 0 0 25 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.897 108.3 46.9 -66.4 -40.1 37.1 45.5 59.7 446 195 B E H < S+ 0 0 118 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.838 119.0 43.4 -69.0 -31.8 33.5 44.6 60.7 447 196 B R H < S+ 0 0 76 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.870 136.0 8.5 -81.1 -41.8 32.3 46.4 57.6 448 197 B Y H < S- 0 0 34 -4,-3.3 4,-0.4 1,-0.2 -3,-0.2 0.400 109.4 -99.1-123.2 -1.7 34.8 45.1 55.0 449 198 B G X - 0 0 32 -4,-2.1 4,-2.6 -5,-0.4 -1,-0.2 -0.037 38.5 -80.6 96.7 156.3 36.8 42.4 56.8 450 199 B E H > S+ 0 0 118 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.883 123.9 55.2 -62.9 -44.6 40.2 42.4 58.4 451 200 B A H 4 S+ 0 0 67 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.932 115.0 41.6 -55.6 -46.4 42.4 42.1 55.3 452 201 B F H >> S+ 0 0 27 -4,-0.4 3,-1.8 1,-0.2 4,-0.7 0.969 115.4 48.7 -64.9 -56.0 40.6 45.1 53.8 453 202 B A H >< S+ 0 0 0 -4,-2.6 3,-0.8 1,-0.3 -2,-0.2 0.835 104.2 59.7 -55.4 -38.1 40.6 47.2 57.0 454 203 B S T 3< S+ 0 0 35 -4,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.647 109.6 44.8 -67.9 -13.6 44.3 46.6 57.7 455 204 B R T <4 S+ 0 0 150 -3,-1.8 2,-0.3 -4,-0.4 -1,-0.2 0.505 85.5 108.5-107.9 -7.4 45.2 48.2 54.4 456 205 B V << - 0 0 0 -3,-0.8 2,-0.5 -4,-0.7 -43,-0.1 -0.554 68.8-128.1 -75.7 130.0 42.9 51.2 54.5 457 206 B R E -q 413 0D 22 -45,-0.7 -43,-2.0 -48,-0.4 2,-0.6 -0.660 22.1-167.2 -80.6 123.5 44.8 54.5 55.0 458 207 B I E -q 414 0D 0 -2,-0.5 21,-2.9 -45,-0.2 22,-0.4 -0.950 9.5-162.4-114.1 111.1 43.3 56.5 57.9 459 208 B L E -q 415 0D 0 -45,-2.8 -43,-3.0 -2,-0.6 2,-0.4 -0.618 11.9-135.3 -93.6 151.8 44.6 60.1 57.9 460 209 B Y E -qr 416 481D 1 20,-2.3 22,-2.0 -2,-0.2 2,-0.3 -0.862 26.1-178.5-103.2 141.8 44.5 62.5 60.8 461 210 B G E + r 0 482D 0 -45,-2.4 -33,-0.2 -2,-0.4 22,-0.1 -0.985 32.6 89.7-139.7 150.2 43.4 66.1 60.1 462 211 B G S S- 0 0 3 20,-0.7 -34,-0.3 -2,-0.3 -40,-0.2 0.443 101.7 -12.0 124.9 91.7 43.0 69.2 62.2 463 212 B S S S+ 0 0 25 1,-0.2 2,-0.3 -36,-0.1 -36,-0.2 0.836 79.7 171.7 62.7 36.2 45.8 71.7 62.7 464 213 B V + 0 0 4 18,-0.3 22,-0.4 -38,-0.1 -1,-0.2 -0.616 9.7 155.8 -75.7 132.7 48.5 69.4 61.2 465 214 B N >> - 0 0 48 -2,-0.3 4,-2.3 20,-0.1 3,-1.3 -0.956 59.0 -88.3-151.6 168.2 51.8 71.3 60.9 466 215 B P T 34 S+ 0 0 42 0, 0.0 4,-0.4 0, 0.0 -2,-0.0 0.762 121.8 57.1 -51.5 -26.9 55.5 70.7 60.7 467 216 B K T 34 S+ 0 0 184 1,-0.1 4,-0.2 2,-0.1 -3,-0.1 0.787 120.2 22.6 -78.2 -28.5 55.8 70.9 64.5 468 217 B N T <> S+ 0 0 17 -3,-1.3 4,-1.7 -5,-0.1 5,-0.2 0.546 98.3 88.1-115.9 -9.4 53.3 68.1 65.3 469 218 B F H X S+ 0 0 1 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.878 83.4 56.4 -60.5 -42.6 53.2 65.9 62.2 470 219 B A H > S+ 0 0 52 -4,-0.4 4,-1.3 1,-0.2 -1,-0.2 0.927 110.7 43.9 -57.0 -48.0 56.1 63.6 63.1 471 220 B D H 4 S+ 0 0 106 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.855 114.4 49.7 -67.6 -34.7 54.6 62.5 66.4 472 221 B L H >< S+ 0 0 2 -4,-1.7 3,-1.3 1,-0.2 -2,-0.2 0.937 111.5 49.1 -67.3 -45.2 51.1 62.1 64.9 473 222 B L H 3< S+ 0 0 30 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.737 98.2 69.4 -65.9 -24.6 52.5 60.0 62.1 474 223 B S T 3< S+ 0 0 82 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.715 75.5 102.6 -68.5 -20.5 54.5 57.8 64.6 475 224 B M S X S- 0 0 31 -3,-1.3 3,-1.9 -4,-0.5 -44,-0.0 -0.480 79.8-127.5 -67.9 130.5 51.2 56.4 65.8 476 225 B P T 3 S+ 0 0 91 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.752 105.4 40.4 -47.1 -36.9 50.6 52.8 64.4 477 226 B N T 3 S+ 0 0 25 -20,-0.0 2,-0.7 2,-0.0 -19,-0.2 0.335 91.9 93.3-102.1 8.2 47.1 53.6 63.1 478 227 B V < - 0 0 6 -3,-1.9 -19,-0.2 -6,-0.2 3,-0.1 -0.902 49.1-180.0-101.8 113.9 47.7 57.1 61.7 479 228 B D - 0 0 9 -21,-2.9 -223,-1.8 -2,-0.7 2,-0.3 0.218 56.1 -51.8-102.0 15.3 48.6 56.7 58.0 480 229 B G E -l 256 0D 0 -22,-0.4 -20,-2.3 -225,-0.2 2,-0.3 -0.969 64.6 -78.3 148.4-163.0 49.1 60.3 57.1 481 230 B G E -lr 257 460D 0 -225,-1.7 -223,-2.6 -2,-0.3 2,-0.8 -0.991 7.6-141.4-144.9 149.3 47.4 63.7 57.2 482 231 B L E -lr 258 461D 1 -22,-2.0 -20,-0.7 -2,-0.3 2,-0.5 -0.938 40.3-157.7-102.7 105.8 44.7 65.8 55.7 483 232 B V E +l 259 0D 1 -225,-3.1 -223,-2.9 -2,-0.8 -22,-0.1 -0.795 20.9 172.0 -98.9 124.8 46.4 69.1 55.8 484 233 B G S > S+ 0 0 18 -2,-0.5 3,-2.5 -225,-0.2 4,-0.3 0.706 72.3 6.0 -91.4-107.6 44.6 72.4 55.8 485 234 B G G > S+ 0 0 59 1,-0.3 3,-1.5 2,-0.2 4,-0.5 0.787 123.6 63.6 -49.6 -35.3 46.3 75.8 56.4 486 235 B A G 3 S+ 0 0 19 -22,-0.4 -1,-0.3 1,-0.3 10,-0.2 0.446 96.3 60.2 -72.9 1.3 49.8 74.2 56.5 487 236 B S G < S+ 0 0 0 -3,-2.5 -1,-0.3 -227,-0.2 -2,-0.2 0.475 85.5 77.8-104.5 -4.4 49.4 73.1 52.9 488 237 B L S < S+ 0 0 31 -3,-1.5 2,-0.5 -4,-0.3 -2,-0.1 0.882 85.5 61.0 -72.7 -41.0 49.0 76.7 51.5 489 238 B E S > S- 0 0 134 -4,-0.5 4,-2.4 1,-0.1 3,-0.4 -0.794 78.7-142.1 -91.3 126.9 52.7 77.7 51.7 490 239 B L H > S+ 0 0 10 -2,-0.5 4,-3.1 1,-0.2 5,-0.2 0.879 100.6 54.6 -54.1 -43.4 54.9 75.5 49.5 491 240 B E H > S+ 0 0 124 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.891 110.2 47.4 -59.8 -38.3 57.7 75.5 52.0 492 241 B S H > S+ 0 0 27 -3,-0.4 4,-2.0 2,-0.2 -2,-0.2 0.918 112.4 48.6 -68.8 -43.6 55.4 74.2 54.7 493 242 B F H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.929 111.4 50.1 -62.8 -44.2 54.0 71.5 52.4 494 243 B L H X S+ 0 0 0 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.896 107.7 54.5 -60.8 -39.6 57.5 70.4 51.5 495 244 B A H X S+ 0 0 28 -4,-1.9 4,-1.7 -5,-0.2 -1,-0.2 0.905 108.2 49.1 -61.0 -41.4 58.4 70.3 55.1 496 245 B L H X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.886 110.3 51.0 -65.7 -38.0 55.5 68.0 55.8 497 246 B L H X S+ 0 0 4 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.892 107.9 52.1 -66.9 -38.7 56.5 65.8 52.9 498 247 B R H < S+ 0 0 126 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.872 107.9 52.5 -65.2 -35.1 60.0 65.5 54.2 499 248 B I H < S+ 0 0 60 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.892 108.9 49.9 -66.1 -38.9 58.7 64.4 57.6 500 249 B A H < 0 0 17 -4,-1.8 -2,-0.2 -5,-0.1 -1,-0.2 0.855 360.0 360.0 -67.8 -35.6 56.6 61.7 55.9 501 250 B G < 0 0 37 -4,-2.0 -215,-2.4 -5,-0.1 -217,-0.1 -0.096 360.0 360.0 83.2 360.0 59.7 60.5 54.0