==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 29-JAN-98 1TCD . COMPND 2 MOLECULE: TRIOSEPHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA CRUZI; . AUTHOR E.MALDONADO,M.SORIANO-GARCIA,N.CABRERA,G.GARZA-RAMOS, . 497 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19242.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 365 73.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 76 15.3 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 . 40 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 167 33.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 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 8 3 0 0 0 0 0 5 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 3 3 5 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 . 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 4 A K 0 0 131 0, 0.0 202,-0.1 0, 0.0 204,-0.1 0.000 360.0 360.0 360.0 126.5 18.6 28.5 82.4 2 5 A P - 0 0 20 0, 0.0 201,-0.1 0, 0.0 202,-0.0 -0.110 360.0 -59.2 -66.6 172.8 15.5 29.9 80.8 3 6 A Q - 0 0 58 1,-0.1 32,-0.2 200,-0.1 224,-0.1 -0.319 62.4-126.3 -56.8 125.2 14.2 28.8 77.4 4 7 A P - 0 0 9 0, 0.0 32,-2.8 0, 0.0 2,-0.4 -0.234 17.0-149.7 -71.3 160.8 16.9 29.5 74.7 5 8 A I E -ab 36 228A 0 222,-1.5 224,-1.2 30,-0.2 2,-0.5 -0.998 8.3-165.4-134.7 136.6 16.4 31.5 71.5 6 9 A A E -ab 37 229A 0 30,-1.8 32,-2.0 -2,-0.4 2,-0.4 -0.966 20.2-174.2-121.6 105.7 18.2 31.0 68.2 7 10 A A E -ab 38 230A 2 222,-3.1 224,-3.6 -2,-0.5 2,-0.6 -0.894 14.0-153.2-109.6 134.5 17.5 34.1 66.1 8 11 A A E -ab 39 231A 1 30,-2.4 32,-2.5 -2,-0.4 2,-0.8 -0.895 4.5-167.8-107.1 118.6 18.5 34.5 62.5 9 12 A N E -a 40 0A 2 222,-3.2 226,-0.2 -2,-0.6 227,-0.1 -0.872 2.9-175.1-105.6 102.5 19.1 38.1 61.2 10 13 A W - 0 0 4 30,-1.4 3,-0.4 -2,-0.8 310,-0.1 0.456 22.7-164.9 -73.3 -2.5 19.3 37.8 57.4 11 14 A K - 0 0 22 29,-0.3 2,-2.2 1,-0.2 310,-0.2 0.018 58.7 -20.1 44.5-153.0 20.2 41.5 57.2 12 15 A C B S+I 320 0B 0 308,-1.6 308,-1.8 29,-0.1 2,-0.3 -0.354 112.3 103.4 -84.8 66.0 19.9 43.1 53.7 13 16 A N + 0 0 47 -2,-2.2 29,-0.4 -3,-0.4 2,-0.2 -0.947 35.7 89.9-140.3 158.8 20.0 39.8 51.8 14 17 A G - 0 0 17 -2,-0.3 2,-0.3 27,-0.1 3,-0.1 -0.463 27.2-166.6 132.2 154.3 17.7 37.4 50.0 15 18 A S > - 0 0 21 -2,-0.2 4,-3.6 1,-0.1 5,-0.2 -0.937 39.0-109.2-162.6 157.7 16.1 36.4 46.8 16 19 A E H > S+ 0 0 72 -2,-0.3 4,-2.4 2,-0.2 -1,-0.1 0.942 118.7 49.6 -62.4 -46.2 13.2 34.0 46.1 17 20 A S H 4 S+ 0 0 90 1,-0.2 -1,-0.2 2,-0.2 0, 0.0 0.867 117.4 42.9 -62.0 -35.5 15.4 31.4 44.5 18 21 A L H > S+ 0 0 85 1,-0.1 4,-0.9 2,-0.1 -2,-0.2 0.971 117.0 44.8 -72.7 -52.8 17.8 31.6 47.5 19 22 A L H X S+ 0 0 0 -4,-3.6 4,-2.6 1,-0.2 5,-0.2 0.740 98.9 65.6 -67.5 -31.6 15.1 31.7 50.2 20 23 A V H X S+ 0 0 35 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.958 105.8 43.6 -58.3 -52.4 12.7 29.0 49.1 21 24 A P H > S+ 0 0 65 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.844 113.1 53.2 -61.8 -34.0 15.2 26.1 49.6 22 25 A L H X S+ 0 0 11 -4,-0.9 4,-1.7 2,-0.2 -2,-0.2 0.945 109.5 47.2 -67.0 -45.9 16.4 27.6 52.9 23 26 A I H X S+ 0 0 3 -4,-2.6 4,-2.2 1,-0.2 5,-0.2 0.914 108.4 55.3 -62.9 -41.4 12.9 27.7 54.4 24 27 A E H X S+ 0 0 117 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.925 107.1 51.5 -56.5 -41.8 12.2 24.2 53.2 25 28 A T H X S+ 0 0 53 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.876 109.2 49.2 -62.5 -38.1 15.3 23.1 55.2 26 29 A L H < S+ 0 0 3 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.820 111.5 50.2 -70.6 -31.7 14.0 24.9 58.3 27 30 A N H < S+ 0 0 44 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.876 111.5 47.7 -71.3 -40.6 10.6 23.2 57.9 28 31 A A H < S+ 0 0 81 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.851 93.3 92.8 -70.3 -36.2 12.2 19.8 57.5 29 32 A A < - 0 0 15 -4,-1.9 2,-0.4 -5,-0.2 -3,-0.0 -0.341 62.1-161.7 -59.7 136.9 14.4 20.3 60.6 30 33 A T - 0 0 104 25,-0.0 2,-0.5 27,-0.0 -2,-0.1 -0.977 4.0-162.9-123.4 138.0 12.9 19.0 63.8 31 34 A F - 0 0 7 -2,-0.4 4,-0.1 1,-0.2 26,-0.0 -0.974 7.4-169.1-123.3 121.2 14.0 20.1 67.3 32 35 A D + 0 0 138 -2,-0.5 -1,-0.2 2,-0.1 3,-0.1 0.974 63.4 72.1 -73.5 -52.2 13.1 18.1 70.3 33 36 A H S S- 0 0 30 1,-0.1 2,-0.7 212,-0.1 215,-0.1 0.001 95.9 -87.2 -63.5 167.2 14.1 20.4 73.1 34 37 A D + 0 0 102 213,-0.1 2,-0.3 2,-0.0 -1,-0.1 -0.666 67.1 140.4 -78.0 110.0 12.4 23.6 74.2 35 38 A V - 0 0 3 -2,-0.7 2,-0.7 -32,-0.2 -30,-0.2 -0.986 46.1-133.2-153.0 143.7 13.8 26.5 72.1 36 39 A Q E -a 5 0A 37 -32,-2.8 -30,-1.8 -2,-0.3 2,-0.3 -0.882 23.7-162.3-101.4 114.2 12.3 29.6 70.5 37 40 A C E -ac 6 58A 0 20,-2.5 22,-1.7 -2,-0.7 2,-0.3 -0.770 8.6-177.2 -98.7 143.5 13.5 30.0 66.9 38 41 A V E -ac 7 59A 1 -32,-2.0 -30,-2.4 -2,-0.3 2,-0.4 -0.988 9.8-165.7-135.6 143.0 13.1 33.4 65.1 39 42 A V E -ac 8 60A 1 20,-1.9 22,-2.6 -2,-0.3 -30,-0.2 -0.995 5.7-159.8-129.2 138.4 13.9 34.4 61.6 40 43 A A E +a 9 0A 2 -32,-2.5 -30,-1.4 -2,-0.4 -29,-0.3 -0.822 15.2 178.3-122.5 92.2 14.2 38.0 60.5 41 44 A P - 0 0 0 0, 0.0 22,-0.3 0, 0.0 2,-0.1 -0.318 41.5 -84.2 -83.3 173.5 13.8 38.6 56.8 42 45 A T >> - 0 0 2 -29,-0.4 3,-2.7 -31,-0.1 4,-1.1 -0.470 48.5-103.8 -70.4 150.7 13.8 42.0 55.0 43 46 A F G >4 S+ 0 0 9 1,-0.3 3,-1.2 2,-0.2 -1,-0.1 0.886 123.4 56.6 -40.4 -48.9 10.4 43.7 55.0 44 47 A L G 34 S+ 0 0 1 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.741 110.2 43.3 -60.5 -23.8 10.0 42.6 51.4 45 48 A H G <> S+ 0 0 0 -3,-2.7 4,-2.0 1,-0.1 -1,-0.3 0.507 87.0 88.9-102.9 -3.9 10.5 39.0 52.2 46 49 A I H S+ 0 0 15 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.965 111.5 40.8 -57.3 -50.8 5.2 37.9 53.2 48 51 A M H > S+ 0 0 22 -4,-0.3 4,-1.4 1,-0.2 5,-0.2 0.870 116.8 51.0 -66.6 -31.7 6.7 34.9 51.4 49 52 A T H X S+ 0 0 0 -4,-2.0 4,-2.9 2,-0.2 3,-0.3 0.923 110.0 48.1 -70.6 -44.8 8.4 33.7 54.6 50 53 A K H < S+ 0 0 78 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.909 111.9 52.8 -59.8 -41.5 5.2 33.9 56.7 51 54 A A H < S+ 0 0 82 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.780 122.0 26.2 -65.3 -31.8 3.5 32.0 53.9 52 55 A R H < S+ 0 0 122 -4,-1.4 2,-1.2 -3,-0.3 -2,-0.2 0.718 90.6 95.5-108.6 -25.2 6.0 29.1 53.8 53 56 A L < + 0 0 24 -4,-2.9 -1,-0.1 -5,-0.2 -29,-0.1 -0.560 40.3 160.2 -74.1 100.1 7.6 28.8 57.2 54 57 A T + 0 0 103 -2,-1.2 -1,-0.2 -31,-0.1 -30,-0.0 0.516 26.4 121.5 -99.1 -7.9 5.4 26.1 58.8 55 58 A N > - 0 0 14 1,-0.2 3,-1.9 2,-0.1 -27,-0.1 -0.423 57.9-143.7 -60.7 116.2 7.7 24.9 61.6 56 59 A P T 3 S+ 0 0 128 0, 0.0 -1,-0.2 0, 0.0 -29,-0.0 0.745 95.6 60.8 -53.3 -29.8 5.9 25.4 65.0 57 60 A K T 3 S+ 0 0 62 -21,-0.1 -20,-2.5 2,-0.0 2,-0.3 0.619 93.0 85.8 -76.8 -9.4 9.1 26.3 66.8 58 61 A F E < -c 37 0A 19 -3,-1.9 2,-0.3 -22,-0.2 -20,-0.2 -0.692 50.8-176.4 -97.7 146.3 9.7 29.4 64.6 59 62 A Q E -c 38 0A 63 -22,-1.7 -20,-1.9 -2,-0.3 2,-0.4 -0.950 24.5-125.6-131.6 149.4 8.4 33.0 64.8 60 63 A I E -c 39 0A 9 -2,-0.3 28,-0.7 -22,-0.2 27,-0.5 -0.810 26.7-170.8-100.8 137.5 9.0 35.8 62.2 61 64 A A E -d 88 0A 0 -22,-2.6 28,-0.3 -2,-0.4 2,-0.2 -0.840 21.7-122.9-124.0 161.1 10.5 39.1 63.3 62 65 A A E -d 89 0A 0 26,-1.9 28,-2.4 -2,-0.3 3,-0.1 -0.673 17.2-136.3 -94.2 160.4 11.0 42.5 61.6 63 66 A Q S S- 0 0 2 -22,-0.3 30,-0.3 1,-0.3 2,-0.3 0.563 82.1 -9.3 -92.9 -10.0 14.6 43.8 61.5 64 67 A N - 0 0 1 260,-0.1 -1,-0.3 27,-0.1 2,-0.3 -0.940 60.8-175.1-174.6 164.0 13.5 47.4 62.5 65 68 A A - 0 0 1 -2,-0.3 2,-0.3 -3,-0.1 12,-0.2 -0.946 21.0-130.3-163.3 158.8 10.3 49.5 62.9 66 69 A I B -j 77 0C 13 10,-1.4 12,-1.6 -2,-0.3 -2,-0.0 -0.793 31.2-114.5-110.3 161.1 9.5 53.1 63.7 67 70 A T S S+ 0 0 26 -2,-0.3 2,-0.3 10,-0.2 12,-0.2 0.724 88.3 30.4 -73.1 -22.0 7.0 53.9 66.4 68 71 A R S S- 0 0 132 10,-0.1 -1,-0.1 9,-0.0 194,-0.1 -0.994 70.8-124.7-142.3 144.4 4.1 55.5 64.5 69 72 A S + 0 0 45 -2,-0.3 2,-0.4 8,-0.1 194,-0.2 -0.336 65.4 77.3 -75.7 167.6 2.5 55.2 61.0 70 73 A G B S+K 262 0D 17 192,-2.7 192,-2.0 2,-0.1 2,-1.8 -0.990 87.4 4.0 140.6-147.7 2.2 58.4 59.0 71 74 A A S S+ 0 0 45 -2,-0.4 2,-0.1 190,-0.2 190,-0.1 -0.517 83.3 116.9 -84.2 73.6 4.4 60.7 56.9 72 75 A F > - 0 0 55 -2,-1.8 3,-2.1 3,-0.1 -1,-0.1 -0.611 54.1-153.7-140.6 71.3 7.6 58.7 57.1 73 76 A T T 3 S+ 0 0 0 1,-0.3 3,-0.1 -2,-0.1 -2,-0.0 -0.148 78.2 19.8 -49.3 139.3 8.4 57.7 53.5 74 77 A G T 3 S+ 0 0 5 1,-0.2 -1,-0.3 240,-0.1 219,-0.2 0.034 104.5 102.4 86.5 -24.6 10.5 54.6 53.3 75 78 A E < - 0 0 10 -3,-2.1 2,-0.4 238,-0.1 -1,-0.2 -0.361 57.7-142.6 -94.4 171.4 9.7 53.3 56.8 76 79 A V - 0 0 1 -2,-0.1 -10,-1.4 -3,-0.1 2,-0.1 -0.996 21.2-140.2-133.2 124.6 7.5 50.6 58.4 77 80 A S B > -j 66 0C 0 -2,-0.4 4,-1.5 -12,-0.2 -10,-0.2 -0.327 22.2-115.7 -87.0 167.4 5.7 51.1 61.7 78 81 A L H > S+ 0 0 2 -12,-1.6 4,-2.4 1,-0.2 5,-0.2 0.901 117.4 54.2 -64.4 -41.0 5.0 48.9 64.6 79 82 A Q H > S+ 0 0 57 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.893 105.2 51.0 -63.1 -43.7 1.3 49.1 63.9 80 83 A I H > S+ 0 0 2 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.842 112.1 49.1 -63.2 -31.9 1.7 48.0 60.2 81 84 A L H <>S+ 0 0 0 -4,-1.5 5,-2.2 2,-0.2 3,-0.3 0.914 109.8 49.8 -73.0 -42.8 3.6 45.0 61.5 82 85 A K H ><5S+ 0 0 116 -4,-2.4 3,-2.1 1,-0.2 -2,-0.2 0.924 107.8 53.9 -60.0 -47.1 1.1 44.0 64.1 83 86 A D H 3<5S+ 0 0 112 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.788 107.3 52.8 -60.1 -26.9 -1.8 44.2 61.6 84 87 A Y T 3<5S- 0 0 70 -4,-0.8 -1,-0.3 -3,-0.3 -2,-0.2 0.508 123.4-105.6 -88.4 -2.2 0.2 41.9 59.4 85 88 A G T < 5S+ 0 0 41 -3,-2.1 2,-0.5 1,-0.3 -3,-0.2 0.597 74.2 136.5 92.0 11.4 0.6 39.4 62.2 86 89 A I < + 0 0 2 -5,-2.2 -1,-0.3 -6,-0.1 -2,-0.1 -0.823 19.8 170.0 -93.1 125.5 4.3 39.9 63.1 87 90 A S + 0 0 43 -27,-0.5 33,-3.1 -2,-0.5 2,-0.4 0.258 53.9 72.6-121.0 8.5 4.9 40.1 66.9 88 91 A W E +de 61 120A 4 -28,-0.7 -26,-1.9 31,-0.2 2,-0.3 -0.964 55.1 178.5-124.2 142.1 8.7 40.0 67.2 89 92 A V E -de 62 121A 0 31,-2.0 33,-2.2 -2,-0.4 2,-0.6 -0.999 25.7-136.7-147.8 140.8 11.1 42.8 66.3 90 93 A V E - e 0 122A 3 -28,-2.4 2,-0.4 -2,-0.3 3,-0.2 -0.858 33.6-174.3 -93.3 120.1 14.9 43.4 66.3 91 94 A L E + e 0 123A 1 31,-3.1 33,-2.6 -2,-0.6 -27,-0.1 -0.950 52.4 11.8-125.6 142.6 15.7 46.9 67.7 92 95 A G S S- 0 0 0 -2,-0.4 -1,-0.2 31,-0.2 5,-0.1 0.752 72.0-178.9 75.9 25.2 18.8 48.9 68.1 93 96 A H >> - 0 0 8 -30,-0.3 4,-2.2 -3,-0.2 3,-1.8 -0.271 38.4-115.2 -57.3 140.9 21.1 46.7 66.0 94 97 A S H 3> S+ 0 0 5 1,-0.3 4,-2.5 2,-0.2 5,-0.3 0.832 115.8 57.3 -48.6 -37.5 24.7 48.0 65.9 95 98 A E H 3> S+ 0 0 8 1,-0.2 4,-1.8 2,-0.2 5,-0.5 0.837 108.6 46.3 -67.6 -26.0 24.4 48.7 62.2 96 99 A R H <> S+ 0 0 7 -3,-1.8 4,-1.6 3,-0.2 6,-1.4 0.917 112.6 49.5 -79.7 -41.9 21.4 51.0 62.8 97 100 A R H < S+ 0 0 30 -4,-2.2 4,-0.2 4,-0.2 -2,-0.2 0.893 119.8 37.2 -61.5 -41.6 23.1 52.8 65.7 98 101 A L H < S+ 0 0 97 -4,-2.5 3,-0.4 -5,-0.2 -2,-0.2 0.962 129.6 24.9 -78.7 -54.0 26.3 53.4 63.6 99 102 A Y H < S+ 0 0 135 -4,-1.8 -3,-0.2 -5,-0.3 -2,-0.1 0.761 126.7 38.9 -86.3 -25.9 25.0 54.1 60.1 100 103 A Y S < S- 0 0 69 -4,-1.6 -1,-0.2 -5,-0.5 -2,-0.1 -0.036 104.0-111.0-119.2 33.9 21.5 55.4 60.5 101 104 A G + 0 0 49 -3,-0.4 2,-1.1 -4,-0.2 -4,-0.2 0.685 52.2 161.9 52.2 31.9 21.7 57.5 63.6 102 105 A E - 0 0 12 -6,-1.4 -1,-0.2 -9,-0.1 -2,-0.1 -0.694 22.0-163.8 -86.9 105.7 19.8 55.6 66.1 103 106 A T > - 0 0 69 -2,-1.1 4,-2.3 1,-0.1 5,-0.3 -0.244 37.9 -94.6 -78.2 171.3 20.9 57.0 69.4 104 107 A N H > S+ 0 0 39 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.868 127.0 49.1 -56.0 -34.4 20.3 55.4 72.8 105 108 A E H > S+ 0 0 103 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.900 107.9 49.9 -72.9 -43.5 17.2 57.5 73.2 106 109 A I H > S+ 0 0 64 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.886 113.4 48.3 -62.9 -37.8 15.6 56.7 69.8 107 110 A V H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.917 110.6 51.2 -67.8 -40.7 16.2 53.0 70.5 108 111 A A H X S+ 0 0 0 -4,-1.9 4,-2.2 -5,-0.3 -2,-0.2 0.885 109.2 51.6 -63.3 -37.3 14.7 53.4 73.9 109 112 A E H X S+ 0 0 106 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.941 110.7 47.6 -63.1 -48.5 11.6 55.1 72.3 110 113 A K H X S+ 0 0 16 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.929 112.4 48.8 -60.2 -45.4 11.2 52.2 69.8 111 114 A V H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.921 109.5 51.5 -62.9 -43.2 11.5 49.5 72.5 112 115 A A H X S+ 0 0 29 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.955 114.2 43.7 -59.7 -48.8 9.0 51.2 74.8 113 116 A Q H X S+ 0 0 49 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.874 111.0 54.3 -63.6 -40.3 6.4 51.5 72.0 114 117 A A H <>S+ 0 0 0 -4,-2.7 5,-2.4 -5,-0.2 -1,-0.2 0.862 110.9 46.0 -65.0 -34.9 7.1 47.9 70.8 115 118 A C H ><5S+ 0 0 3 -4,-2.3 3,-2.0 3,-0.2 -2,-0.2 0.916 110.0 53.1 -72.1 -43.1 6.4 46.5 74.3 116 119 A A H 3<5S+ 0 0 82 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.863 107.0 54.8 -56.3 -39.3 3.3 48.6 74.7 117 120 A A T 3<5S- 0 0 16 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.222 124.1-103.5 -82.0 12.4 2.1 47.2 71.4 118 121 A G T < 5S+ 0 0 41 -3,-2.0 -3,-0.2 1,-0.2 -2,-0.1 0.491 70.5 146.2 81.5 6.6 2.5 43.6 72.6 119 122 A F < - 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0 0 16 -2,-0.5 34,-0.0 -10,-0.1 35,-0.0 -0.613 19.9-134.6 -78.4 131.0 1.3 76.8 47.2 427 180 B T > - 0 0 59 -2,-0.4 4,-1.7 1,-0.1 5,-0.1 -0.297 25.7-107.8 -76.6 166.6 -0.6 78.4 44.3 428 181 B P H > S+ 0 0 26 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.799 120.9 57.3 -67.6 -24.1 -0.1 77.0 40.8 429 182 B Q H > S+ 0 0 118 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.867 105.2 50.8 -71.2 -37.5 2.0 80.1 39.9 430 183 B Q H > S+ 0 0 58 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.862 113.2 46.1 -68.6 -35.3 4.4 79.4 42.8 431 184 B A H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 3,-0.2 0.942 111.1 49.7 -75.2 -44.7 4.8 75.8 41.6 432 185 B Q H X S+ 0 0 33 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.876 103.8 64.4 -59.4 -35.5 5.3 76.7 37.9 433 186 B E H X S+ 0 0 113 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.937 109.5 35.8 -53.2 -51.9 7.9 79.3 39.1 434 187 B V H X S+ 0 0 1 -4,-1.3 4,-2.2 -3,-0.2 -1,-0.2 0.888 115.2 55.3 -72.9 -38.8 10.2 76.6 40.4 435 188 B H H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.824 107.8 51.8 -61.6 -30.6 9.4 74.1 37.6 436 189 B E H X S+ 0 0 49 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.893 108.9 47.5 -73.5 -41.2 10.4 76.7 35.1 437 190 B L H X S+ 0 0 39 -4,-1.5 4,-1.8 -5,-0.2 -2,-0.2 0.867 112.0 52.0 -68.6 -31.1 13.7 77.4 36.7 438 191 B L H X S+ 0 0 3 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.916 111.1 45.9 -70.7 -40.1 14.4 73.6 36.9 439 192 B R H X S+ 0 0 22 -4,-1.9 4,-2.1 -5,-0.2 -1,-0.2 0.849 109.5 55.9 -71.1 -29.8 13.6 73.1 33.2 440 193 B R H X S+ 0 0 126 -4,-1.9 4,-2.2 2,-0.2 5,-0.2 0.942 107.8 47.7 -64.1 -47.8 15.7 76.1 32.3 441 194 B W H X S+ 0 0 47 -4,-1.8 4,-3.1 1,-0.2 5,-0.5 0.905 113.6 47.6 -57.4 -48.8 18.8 74.7 34.0 442 195 B V H X>S+ 0 0 1 -4,-1.8 5,-1.8 1,-0.2 4,-1.7 0.885 109.9 53.8 -63.1 -40.4 18.4 71.3 32.4 443 196 B R H <5S+ 0 0 104 -4,-2.1 -2,-0.2 3,-0.2 -1,-0.2 0.913 118.8 32.5 -64.6 -38.9 17.9 72.8 29.1 444 197 B S H <5S+ 0 0 86 -4,-2.2 -2,-0.2 -5,-0.1 -1,-0.2 0.830 127.1 37.0 -91.1 -27.9 21.1 74.8 29.2 445 198 B K H <5S+ 0 0 138 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.841 132.7 19.9 -88.6 -38.0 23.3 72.5 31.2 446 199 B L T <5S- 0 0 35 -4,-1.7 -3,-0.2 -5,-0.5 2,-0.2 0.789 116.0 -72.2-106.0 -34.2 22.2 69.1 29.9 447 200 B G >< - 0 0 15 -5,-1.8 4,-2.3 1,-0.1 -1,-0.2 -0.514 20.6-113.0 146.6 145.3 20.4 69.5 26.5 448 201 B T H > S+ 0 0 104 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.807 119.7 56.1 -69.1 -29.6 17.4 70.8 24.8 449 202 B D H > S+ 0 0 84 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.856 109.6 44.8 -69.0 -34.3 16.6 67.2 23.9 450 203 B I H >> S+ 0 0 18 1,-0.2 4,-1.2 -8,-0.2 3,-0.5 0.896 111.3 53.4 -77.3 -40.4 16.7 66.2 27.6 451 204 B A H 3< S+ 0 0 3 -4,-2.3 -2,-0.2 -9,-0.2 -1,-0.2 0.867 104.0 54.7 -64.2 -36.7 14.6 69.2 28.7 452 205 B A H 3< S+ 0 0 63 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.748 116.9 35.8 -69.6 -24.1 11.7 68.5 26.2 453 206 B Q H << S+ 0 0 142 -4,-0.7 2,-0.3 -3,-0.5 -1,-0.2 0.523 89.6 109.6-107.2 -6.1 11.3 64.9 27.4 454 207 B L < - 0 0 6 -4,-1.2 2,-0.6 -3,-0.2 -43,-0.1 -0.530 61.2-140.9 -76.1 131.6 12.0 65.3 31.1 455 208 B R - 0 0 29 -45,-0.5 -43,-2.2 -2,-0.3 2,-0.6 -0.800 14.5-168.5 -92.1 123.6 8.9 64.9 33.4 456 209 B I E -r 412 0E 0 -2,-0.6 21,-2.7 -45,-0.2 22,-0.3 -0.951 11.5-160.3-112.3 118.3 8.9 67.4 36.3 457 210 B L E -r 413 0E 0 -45,-3.8 -43,-3.3 -2,-0.6 2,-0.5 -0.716 15.0-128.9-101.9 150.6 6.2 66.5 38.8 458 211 B Y E -rs 414 479E 6 20,-2.5 22,-1.8 -2,-0.3 -43,-0.2 -0.810 22.8-178.4 -94.0 133.1 4.7 68.7 41.5 459 212 B G + 0 0 8 -45,-3.2 3,-0.1 -2,-0.5 -1,-0.1 -0.042 45.2 97.7-126.9 33.5 4.7 67.1 44.9 460 213 B G S S- 0 0 9 1,-0.2 2,-0.5 -45,-0.1 22,-0.3 -0.008 93.9 -33.3 -94.6-152.3 3.0 69.5 47.3 461 214 B S + 0 0 75 20,-0.1 2,-0.4 -2,-0.1 -1,-0.2 -0.558 66.4 178.1 -75.9 118.6 -0.7 69.1 48.3 462 215 B V + 0 0 7 -2,-0.5 22,-0.4 -3,-0.1 2,-0.3 -0.980 6.3 161.3-123.4 130.2 -2.7 67.6 45.5 463 216 B T > - 0 0 28 -2,-0.4 4,-2.2 20,-0.1 3,-0.1 -0.873 57.9 -96.4-136.0 169.1 -6.4 66.9 45.7 464 217 B A T 4 S+ 0 0 41 -2,-0.3 4,-0.4 1,-0.2 -1,-0.0 0.786 122.7 61.6 -60.4 -21.5 -9.1 66.2 43.1 465 218 B K T 4 S+ 0 0 175 1,-0.1 4,-0.3 2,-0.1 -1,-0.2 0.961 115.8 22.3 -68.1 -57.6 -9.9 70.0 43.7 466 219 B N T >> S+ 0 0 44 1,-0.1 4,-2.0 2,-0.1 3,-0.6 0.603 96.6 96.1 -90.0 -13.6 -6.6 71.6 42.6 467 220 B A H 3X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.884 86.0 44.9 -43.5 -56.6 -5.2 68.9 40.3 468 221 B R H 3> S+ 0 0 127 -4,-0.4 4,-0.6 1,-0.2 -1,-0.2 0.831 110.6 52.0 -64.9 -31.6 -6.4 70.3 37.0 469 222 B T H <4 S+ 0 0 62 -3,-0.6 3,-0.3 -4,-0.3 4,-0.3 0.899 111.7 48.6 -71.8 -36.0 -5.4 73.9 37.7 470 223 B L H >< S+ 0 0 4 -4,-2.0 3,-2.3 1,-0.2 -2,-0.2 0.948 107.6 53.4 -66.3 -50.6 -1.9 72.7 38.5 471 224 B Y H 3< S+ 0 0 23 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.687 96.1 70.4 -60.7 -15.1 -1.6 70.5 35.4 472 225 B Q T 3< S+ 0 0 127 -4,-0.6 -1,-0.3 -3,-0.3 -2,-0.2 0.678 77.0 99.0 -75.1 -18.5 -2.5 73.5 33.3 473 226 B M S X S- 0 0 30 -3,-2.3 3,-1.1 -4,-0.3 -44,-0.0 -0.432 83.3-120.5 -70.5 144.9 0.9 75.2 34.1 474 227 B R T 3 S+ 0 0 131 1,-0.2 -1,-0.1 -2,-0.1 -3,-0.0 0.833 104.2 37.7 -58.1 -39.1 3.4 74.7 31.3 475 228 B D T 3 S+ 0 0 16 -224,-0.1 2,-0.5 -20,-0.0 -1,-0.2 0.187 89.5 98.6-105.6 21.6 6.2 72.9 33.2 476 229 B I < + 0 0 0 -3,-1.1 -19,-0.2 -6,-0.2 3,-0.1 -0.906 40.4 174.7-104.6 127.3 4.1 70.6 35.5 477 230 B N - 0 0 2 -21,-2.7 -222,-1.8 -2,-0.5 2,-0.3 0.118 58.4 -46.4-118.8 20.4 3.9 67.1 34.1 478 231 B G E -m 255 0E 0 -22,-0.3 -20,-2.5 -224,-0.2 2,-0.3 -0.939 63.1 -80.6 147.1-166.7 2.1 65.3 36.8 479 232 B F E -ms 256 458E 0 -224,-1.9 -222,-2.9 -2,-0.3 2,-0.6 -0.935 3.0-148.4-141.1 157.3 2.0 64.7 40.5 480 233 B L E -m 257 0E 7 -22,-1.8 2,-0.3 -2,-0.3 -222,-0.2 -0.981 41.6-159.9-122.2 106.2 3.6 62.8 43.4 481 234 B V E -m 258 0E 0 -224,-3.7 -222,-3.1 -2,-0.6 -20,-0.1 -0.741 17.8-178.0-100.5 138.1 0.6 62.5 45.6 482 235 B G > + 0 0 20 -2,-0.3 3,-2.6 -22,-0.3 4,-0.3 0.534 68.1 2.9 -96.7-117.2 0.4 61.8 49.3 483 236 B G G > S+ 0 0 56 1,-0.3 3,-1.8 2,-0.2 -20,-0.1 0.772 125.2 58.3 -41.2 -44.6 -2.7 61.4 51.5 484 237 B A G > S+ 0 0 13 -22,-0.4 3,-1.3 1,-0.3 6,-0.5 0.690 92.2 69.9 -64.7 -17.9 -5.2 61.7 48.7 485 238 B S G < S+ 0 0 1 -3,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.568 89.6 63.9 -77.5 -5.2 -3.6 58.7 46.9 486 239 B L G < S+ 0 0 33 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.213 100.1 66.2 -97.6 13.7 -5.0 56.5 49.8 487 240 B K S X S- 0 0 115 -3,-1.3 3,-2.0 -215,-0.0 4,-0.2 -0.885 94.9-107.1-131.4 159.7 -8.6 57.4 48.7 488 241 B P T > S+ 0 0 85 0, 0.0 3,-1.9 0, 0.0 4,-0.4 0.743 109.5 80.6 -58.6 -22.2 -10.8 56.8 45.6 489 242 B E T >> S+ 0 0 37 1,-0.3 3,-1.5 2,-0.2 4,-1.4 0.762 71.4 80.2 -53.9 -28.2 -10.3 60.5 44.7 490 243 B F H <> S+ 0 0 1 -3,-2.0 4,-2.2 -6,-0.5 -1,-0.3 0.827 83.0 62.6 -52.8 -31.0 -6.9 59.4 43.3 491 244 B V H <> S+ 0 0 20 -3,-1.9 4,-1.4 1,-0.2 -1,-0.3 0.866 102.5 49.2 -64.3 -35.6 -8.8 58.3 40.2 492 245 B E H <> S+ 0 0 104 -3,-1.5 4,-1.5 -4,-0.4 -1,-0.2 0.836 106.8 55.2 -73.6 -32.5 -9.9 61.9 39.6 493 246 B I H < S+ 0 0 0 -4,-1.4 4,-0.4 1,-0.2 3,-0.3 0.921 108.0 49.3 -66.6 -40.7 -6.3 63.2 40.0 494 247 B I H >< S+ 0 0 0 -4,-2.2 3,-1.2 1,-0.2 -1,-0.2 0.878 108.2 54.1 -63.6 -35.2 -5.2 60.8 37.3 495 248 B E H >< S+ 0 0 61 -4,-1.4 3,-1.6 1,-0.2 -1,-0.2 0.819 95.0 69.9 -68.7 -29.5 -8.0 62.1 35.1 496 249 B A T 3< S+ 0 0 12 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.649 87.8 64.4 -61.3 -18.4 -6.8 65.6 35.6 497 250 B T T < 0 0 3 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.1 0.273 360.0 360.0 -89.9 10.8 -3.7 64.9 33.5 498 251 B K < 0 0 152 -3,-1.6 -1,-0.2 -215,-0.1 -2,-0.1 0.763 360.0 360.0 -69.1 360.0 -5.9 64.3 30.4