==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 23-APR-01 1IIH . COMPND 2 MOLECULE: TRIOSEPHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA BRUCEI BRUCEI; . AUTHOR M.E.NOBLE,R.K.WIERENGA,A.M.LAMBEIR,F.R.OPPERDOES, . 498 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19181.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 374 75.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 78 15.7 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 . 48 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 163 32.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.6 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 6 3 1 0 0 0 0 3 2 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 0 8 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 2 A S 0 0 183 0, 0.0 224,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 95.2 29.1 56.6 21.2 2 3 A K - 0 0 63 1,-0.1 202,-0.1 225,-0.0 204,-0.1 -0.748 360.0-101.2-117.9 174.4 30.2 53.7 19.1 3 4 A P - 0 0 34 0, 0.0 -1,-0.1 0, 0.0 201,-0.1 -0.038 67.3 -48.3 -84.5-174.5 30.0 52.5 15.5 4 5 A Q - 0 0 56 200,-0.1 32,-0.1 1,-0.1 224,-0.1 -0.325 65.4-130.7 -57.5 117.4 27.6 49.8 14.1 5 6 A P - 0 0 11 0, 0.0 32,-2.4 0, 0.0 2,-0.4 -0.317 15.2-144.4 -67.0 160.9 27.9 46.7 16.4 6 7 A I E -ab 37 229A 0 222,-2.0 224,-2.1 30,-0.2 2,-0.7 -0.991 12.7-168.8-128.9 131.6 28.4 43.2 15.0 7 8 A A E -ab 38 230A 0 30,-2.4 32,-2.7 -2,-0.4 2,-0.5 -0.956 20.5-176.8-113.9 100.8 27.0 39.9 16.3 8 9 A A E -ab 39 231A 1 222,-3.2 224,-3.5 -2,-0.7 2,-0.6 -0.945 15.1-153.8-108.2 131.2 28.8 37.2 14.5 9 10 A A E -ab 40 232A 0 30,-3.4 32,-2.9 -2,-0.5 2,-1.0 -0.839 3.2-166.0 -98.7 116.1 28.1 33.5 14.9 10 11 A N E -a 41 0A 2 222,-3.6 226,-0.2 -2,-0.6 32,-0.1 -0.841 4.7-175.4-101.9 103.2 30.9 31.1 14.2 11 12 A W - 0 0 1 30,-2.1 3,-0.3 -2,-1.0 -1,-0.2 0.489 25.6-163.4 -68.3 -9.2 29.3 27.7 13.9 12 13 A K - 0 0 35 29,-0.3 2,-1.0 1,-0.2 -1,-0.2 -0.191 56.2 -26.2 54.6-146.4 32.8 26.3 13.7 13 14 A C B S+I 321 0B 0 308,-1.7 308,-2.5 -3,-0.1 2,-0.3 -0.643 112.7 98.2-102.1 71.2 33.0 22.7 12.3 14 15 A N + 0 0 43 -2,-1.0 29,-0.3 -3,-0.3 2,-0.1 -0.977 37.6 75.9-146.8 162.9 29.6 21.6 13.3 15 16 A G - 0 0 24 -2,-0.3 2,-0.3 27,-0.1 3,-0.1 -0.237 43.1-126.5 116.1 155.1 26.0 21.1 12.2 16 17 A S > - 0 0 36 1,-0.2 4,-2.2 -2,-0.1 5,-0.4 -0.884 34.7-111.1-127.7 155.5 23.6 19.0 10.2 17 18 A Q H > S+ 0 0 63 -2,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.980 119.6 46.1 -49.1 -46.8 21.3 20.1 7.5 18 19 A Q H > S+ 0 0 128 1,-0.2 4,-1.8 2,-0.2 3,-0.3 0.948 113.7 44.3 -61.3 -60.2 18.4 19.4 9.9 19 20 A S H > S+ 0 0 59 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.800 117.2 44.7 -58.4 -38.2 19.7 21.1 13.0 20 21 A L H X S+ 0 0 2 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.751 105.2 62.6 -77.0 -30.1 21.0 24.3 11.3 21 22 A S H X S+ 0 0 14 -4,-1.9 4,-1.4 -5,-0.4 -2,-0.2 0.956 105.8 46.9 -60.0 -42.4 17.8 24.6 9.2 22 23 A E H X S+ 0 0 108 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.908 109.0 52.8 -65.3 -41.9 15.9 25.0 12.4 23 24 A L H X S+ 0 0 14 -4,-1.3 4,-2.3 1,-0.2 -1,-0.2 0.893 106.2 54.4 -52.1 -50.6 18.3 27.6 13.8 24 25 A I H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.875 105.9 55.0 -58.4 -34.1 18.0 29.6 10.7 25 26 A D H X S+ 0 0 63 -4,-1.4 4,-1.2 2,-0.2 -2,-0.2 0.971 106.3 47.3 -64.6 -54.5 14.3 29.6 11.3 26 27 A L H X S+ 0 0 58 -4,-2.1 4,-0.9 1,-0.2 3,-0.5 0.895 113.6 51.4 -48.5 -44.6 14.5 31.0 14.8 27 28 A F H >< S+ 0 0 0 -4,-2.3 3,-0.8 1,-0.3 -1,-0.2 0.908 105.7 51.7 -63.4 -46.1 16.8 33.6 13.5 28 29 A N H 3< S+ 0 0 39 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.679 110.3 53.1 -64.6 -23.0 14.6 34.7 10.6 29 30 A S H 3< S+ 0 0 90 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.616 83.2 114.4 -83.6 -28.1 11.8 35.0 13.2 30 31 A T << - 0 0 17 -4,-0.9 2,-0.6 -3,-0.8 -3,-0.0 -0.366 63.0-136.9 -52.9 134.4 13.8 37.3 15.5 31 32 A S + 0 0 101 -2,-0.1 2,-0.5 2,-0.0 -1,-0.1 -0.833 28.0 177.2 -90.3 109.0 12.5 40.9 16.0 32 33 A I + 0 0 17 -2,-0.6 4,-0.1 1,-0.1 214,-0.0 -0.986 9.5 176.4-121.8 114.4 15.6 43.1 15.9 33 34 A N + 0 0 160 -2,-0.5 -1,-0.1 2,-0.1 213,-0.0 0.858 52.6 68.4 -90.1 -34.2 14.9 46.8 16.1 34 35 A H S S- 0 0 40 1,-0.1 2,-1.2 212,-0.0 215,-0.1 -0.107 92.4 -85.4 -87.2 174.9 18.4 48.4 16.2 35 36 A D + 0 0 106 214,-0.1 2,-0.4 213,-0.1 -1,-0.1 -0.708 67.7 141.8 -85.2 97.0 21.3 48.9 13.8 36 37 A V - 0 0 3 -2,-1.2 2,-0.7 -32,-0.1 -30,-0.2 -0.981 46.4-137.3-136.9 137.1 23.3 45.7 14.2 37 38 A Q E -a 6 0A 36 -32,-2.4 -30,-2.4 -2,-0.4 2,-0.4 -0.951 24.1-159.8 -98.2 120.7 25.1 43.7 11.6 38 39 A C E -ac 7 59A 0 20,-2.6 22,-2.1 -2,-0.7 2,-0.4 -0.759 7.5-164.9-101.5 134.9 24.4 40.0 12.2 39 40 A V E -ac 8 60A 0 -32,-2.7 -30,-3.4 -2,-0.4 2,-0.6 -0.967 14.8-164.6-130.8 140.9 26.7 37.4 10.8 40 41 A V E -ac 9 61A 0 20,-2.7 22,-2.4 -2,-0.4 2,-0.8 -0.880 2.5-170.1-126.0 111.7 26.6 33.8 10.2 41 42 A A E +ac 10 62A 2 -32,-2.9 -30,-2.1 -2,-0.6 -29,-0.3 -0.845 19.0 174.9 -95.6 109.1 29.8 31.8 9.4 42 43 A S - 0 0 1 20,-1.1 22,-0.5 -2,-0.8 -30,-0.1 -0.501 40.4 -85.0-100.5 173.4 28.8 28.4 8.4 43 44 A T - 0 0 3 -29,-0.3 4,-0.4 -2,-0.2 3,-0.3 -0.300 44.2-107.3 -68.4 171.7 31.0 25.6 7.1 44 45 A F S > S+ 0 0 10 1,-0.2 3,-0.9 2,-0.2 4,-0.5 0.876 120.8 57.6 -66.0 -38.3 31.9 25.7 3.4 45 46 A V T 3 S+ 0 0 4 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.833 109.5 43.7 -61.8 -35.7 29.6 22.8 2.8 46 47 A H T 3> S+ 0 0 1 -3,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.280 83.1 97.9 -88.0 -8.2 26.6 24.6 4.4 47 48 A L H <> S+ 0 0 0 -3,-0.9 4,-3.1 -4,-0.4 5,-0.2 0.972 83.9 49.1 -51.6 -50.7 27.0 28.0 2.7 48 49 A A H > S+ 0 0 8 -4,-0.5 4,-2.1 1,-0.3 5,-0.3 0.925 112.0 47.2 -59.6 -47.7 24.5 27.2 -0.1 49 50 A M H > S+ 0 0 38 -4,-0.3 4,-1.8 1,-0.2 -1,-0.3 0.916 114.4 49.2 -53.8 -42.8 21.8 26.0 2.3 50 51 A T H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.912 108.3 52.5 -68.9 -39.1 22.4 29.1 4.4 51 52 A K H < S+ 0 0 69 -4,-3.1 -2,-0.2 -5,-0.2 -1,-0.2 0.977 113.3 42.6 -57.0 -61.9 22.3 31.5 1.5 52 53 A E H < S+ 0 0 146 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.825 121.2 42.7 -49.2 -45.2 18.8 30.2 0.3 53 54 A R H < S+ 0 0 107 -4,-1.8 2,-0.3 -5,-0.3 -2,-0.2 0.799 87.9 86.2 -83.6 -36.9 17.4 30.0 3.8 54 55 A L < + 0 0 23 -4,-2.7 -29,-0.1 1,-0.2 7,-0.1 -0.577 42.6 159.4 -67.3 117.9 18.6 33.2 5.7 55 56 A S + 0 0 94 -2,-0.3 -1,-0.2 -31,-0.2 -2,-0.0 0.462 32.2 118.0-114.7 -16.7 15.8 35.7 4.7 56 57 A H > - 0 0 25 -3,-0.2 3,-0.7 1,-0.1 -28,-0.1 -0.224 60.1-144.1 -61.3 136.4 16.5 38.0 7.5 57 58 A P T 3 S+ 0 0 119 0, 0.0 -1,-0.1 0, 0.0 -29,-0.0 0.750 96.6 53.5 -73.0 -30.8 17.6 41.5 6.5 58 59 A K T 3 S+ 0 0 58 -21,-0.1 -20,-2.6 -26,-0.0 2,-0.4 0.450 97.7 85.3 -86.3 5.5 20.0 42.1 9.3 59 60 A F E < +c 38 0A 15 -3,-0.7 2,-0.3 -22,-0.2 -20,-0.2 -0.856 50.5 177.0-113.6 137.1 21.8 38.9 8.6 60 61 A V E -c 39 0A 43 -22,-2.1 -20,-2.7 -2,-0.4 2,-0.3 -0.945 28.2-113.9-127.3 162.4 24.7 38.2 6.1 61 62 A I E -c 40 0A 19 -2,-0.3 28,-0.8 -22,-0.2 27,-0.7 -0.637 29.5-175.7 -99.9 144.2 26.7 35.0 5.4 62 63 A A E -cd 41 89A 0 -22,-2.4 -20,-1.1 -2,-0.3 2,-0.3 -0.938 20.8-127.5-135.3 151.5 30.4 34.6 6.1 63 64 A A E - d 0 90A 0 26,-1.3 28,-1.6 -2,-0.3 -20,-0.1 -0.694 15.9-133.9 -91.1 164.9 33.0 31.9 5.5 64 65 A Q S S- 0 0 2 -22,-0.5 2,-0.3 -2,-0.3 30,-0.2 0.471 78.5 -17.6 -93.4 -6.7 35.2 30.5 8.2 65 66 A N - 0 0 3 260,-0.1 2,-0.3 27,-0.1 -1,-0.2 -0.974 57.6-178.1 179.6 169.0 38.5 30.7 6.2 66 67 A A - 0 0 1 -2,-0.3 2,-0.3 -3,-0.1 12,-0.2 -0.963 24.4-124.8-171.1 165.4 40.1 30.9 2.7 67 68 A I B -j 78 0C 16 10,-2.3 12,-2.0 -2,-0.3 -2,-0.0 -0.906 31.5-122.2-115.2 144.6 43.3 31.0 0.7 68 69 A A S S+ 0 0 29 -2,-0.3 2,-0.4 10,-0.2 10,-0.1 0.789 85.1 40.5 -58.5 -43.1 44.0 34.0 -1.7 69 70 A K S S- 0 0 138 10,-0.1 2,-0.1 9,-0.1 -1,-0.1 -0.949 74.5-125.3-118.4 143.4 44.4 32.3 -5.1 70 71 A S + 0 0 44 -2,-0.4 2,-0.3 8,-0.1 194,-0.2 -0.379 62.5 85.7 -73.6 158.7 42.7 29.4 -6.8 71 72 A G B S-K 263 0D 16 192,-3.0 2,-2.0 2,-0.1 192,-1.8 -0.968 82.6 -3.1 146.1-161.4 44.9 26.6 -8.0 72 73 A A S S+ 0 0 40 -2,-0.3 2,-0.3 190,-0.2 190,-0.1 -0.454 80.7 121.1 -69.9 73.6 46.6 23.3 -6.9 73 74 A F > - 0 0 54 -2,-2.0 3,-1.6 3,-0.1 -2,-0.1 -0.822 53.2-150.7-139.2 75.0 45.5 23.4 -3.3 74 75 A T T 3 S+ 0 0 0 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 -0.388 79.8 11.0 -54.2 131.0 43.6 20.2 -2.7 75 76 A G T 3 S+ 0 0 7 1,-0.3 -1,-0.2 -2,-0.1 2,-0.2 0.222 105.5 111.4 83.4 -7.1 40.9 20.6 0.1 76 77 A E < - 0 0 8 -3,-1.6 2,-0.4 238,-0.1 -1,-0.3 -0.552 57.5-139.5 -99.8 159.9 41.3 24.4 0.3 77 78 A V - 0 0 1 -2,-0.2 -10,-2.3 -3,-0.1 2,-0.2 -0.966 16.0-145.1-122.0 131.6 39.0 27.2 -0.7 78 79 A S B > -j 67 0C 0 -2,-0.4 4,-1.8 -12,-0.2 -10,-0.2 -0.485 21.2-118.8 -98.6 166.2 39.9 30.3 -2.4 79 80 A L H >> S+ 0 0 2 -12,-2.0 4,-3.1 1,-0.2 3,-0.6 0.979 112.4 52.6 -59.7 -59.0 38.8 34.0 -2.3 80 81 A P H 3> S+ 0 0 57 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.789 108.1 53.0 -44.4 -38.7 37.7 34.1 -6.0 81 82 A I H 3> S+ 0 0 1 2,-0.2 4,-2.0 -3,-0.2 -2,-0.2 0.949 111.2 45.1 -64.8 -44.5 35.5 31.0 -5.5 82 83 A L H S+ 0 0 0 -4,-1.8 5,-2.8 -3,-0.6 4,-0.8 0.911 112.6 52.9 -66.2 -35.9 33.8 32.6 -2.5 83 84 A K H ><5S+ 0 0 111 -4,-3.1 3,-1.1 1,-0.2 -1,-0.2 0.940 110.9 44.7 -62.3 -51.7 33.4 35.8 -4.5 84 85 A D H 3<5S+ 0 0 67 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.846 110.5 55.9 -59.3 -36.1 31.8 34.0 -7.4 85 86 A F H 3<5S- 0 0 7 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.657 120.1-111.8 -74.6 -9.7 29.6 32.1 -4.9 86 87 A G T <<5 + 0 0 53 -3,-1.1 2,-0.5 -4,-0.8 -3,-0.2 0.742 67.1 144.0 86.7 27.6 28.4 35.5 -3.5 87 88 A V < + 0 0 2 -5,-2.8 -1,-0.3 1,-0.1 -25,-0.1 -0.857 17.1 171.2 -95.8 127.4 30.1 35.3 -0.1 88 89 A N + 0 0 69 -27,-0.7 33,-3.1 -2,-0.5 2,-0.3 0.361 54.8 62.1-116.5 -6.5 31.2 38.8 0.9 89 90 A W E +de 62 121A 16 -28,-0.8 -26,-1.3 31,-0.2 2,-0.3 -0.940 59.7 179.8-119.3 158.1 32.2 38.4 4.6 90 91 A I E -de 63 122A 0 31,-1.6 33,-2.6 -2,-0.3 2,-0.5 -0.988 25.3-137.0-158.9 147.1 35.0 36.2 6.0 91 92 A V E + e 0 123A 1 -28,-1.6 2,-0.3 -2,-0.3 33,-0.2 -0.952 30.7 176.7-104.9 127.8 36.7 35.2 9.2 92 93 A L E + e 0 124A 2 31,-2.3 33,-2.2 -2,-0.5 -27,-0.1 -0.964 54.4 23.0-131.1 145.7 40.5 35.0 9.1 93 94 A G + 0 0 1 -2,-0.3 5,-0.1 31,-0.2 -1,-0.1 0.667 69.7 176.0 77.3 11.0 43.2 34.3 11.7 94 95 A H >> - 0 0 6 -30,-0.2 4,-2.3 1,-0.2 3,-1.1 -0.128 38.9-120.2 -48.4 136.4 40.9 32.4 14.0 95 96 A S H 3> S+ 0 0 18 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.778 110.8 60.6 -56.5 -28.8 43.0 31.1 16.9 96 97 A E H 3> S+ 0 0 21 2,-0.2 4,-2.4 1,-0.2 5,-0.4 0.834 108.8 44.3 -70.3 -27.4 42.2 27.5 16.2 97 98 A R H <> S+ 0 0 4 -3,-1.1 4,-1.9 2,-0.2 6,-1.3 0.853 110.3 53.5 -78.8 -44.7 43.7 27.9 12.8 98 99 A R H < S+ 0 0 42 -4,-2.3 4,-0.2 4,-0.2 -2,-0.2 0.821 119.0 38.6 -54.0 -36.5 46.7 29.8 14.3 99 100 A A H < S+ 0 0 73 -4,-2.3 3,-0.4 -5,-0.2 -2,-0.2 0.946 129.8 21.0 -82.9 -58.3 47.1 26.7 16.6 100 101 A Y H < S+ 0 0 138 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.812 124.1 46.4 -84.8 -26.4 46.3 23.7 14.6 101 102 A Y S < S- 0 0 51 -4,-1.9 -1,-0.2 -5,-0.4 -3,-0.1 0.148 105.9-104.0-114.4 25.6 46.8 24.8 11.0 102 103 A G + 0 0 51 -3,-0.4 2,-1.1 -4,-0.2 -4,-0.2 0.744 54.7 166.8 65.5 35.6 50.1 26.7 10.9 103 104 A E - 0 0 13 -6,-1.3 -1,-0.2 -9,-0.1 2,-0.1 -0.585 12.6-173.7 -84.8 96.1 48.6 30.2 10.7 104 105 A T > - 0 0 51 -2,-1.1 4,-2.1 1,-0.1 5,-0.2 -0.428 41.1-102.1 -80.9 171.7 51.5 32.7 11.4 105 106 A N H > S+ 0 0 41 1,-0.2 4,-2.3 2,-0.2 -1,-0.1 0.909 124.1 48.9 -61.8 -32.8 51.1 36.4 11.8 106 107 A E H > S+ 0 0 118 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.905 107.7 51.2 -75.3 -35.0 52.4 36.9 8.3 107 108 A I H > S+ 0 0 61 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.945 112.0 48.8 -64.2 -51.1 50.2 34.2 6.7 108 109 A V H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 3,-0.4 0.945 109.1 53.4 -48.5 -53.0 47.1 35.9 8.3 109 110 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.3 -1,-0.2 0.825 107.3 50.9 -54.4 -46.3 48.2 39.3 7.1 110 111 A D H X S+ 0 0 85 -4,-2.1 4,-2.7 2,-0.2 -1,-0.3 0.845 109.4 51.1 -58.2 -45.2 48.5 38.1 3.6 111 112 A K H X S+ 0 0 22 -4,-1.8 4,-2.0 -3,-0.4 -2,-0.2 0.943 111.9 46.5 -60.5 -43.6 44.9 36.7 3.8 112 113 A V H X S+ 0 0 0 -4,-2.4 4,-3.4 2,-0.2 5,-0.3 0.949 112.0 49.7 -65.0 -47.6 43.5 39.9 5.1 113 114 A A H X S+ 0 0 23 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.967 112.3 48.5 -57.8 -43.8 45.2 42.0 2.5 114 115 A A H X S+ 0 0 17 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.825 113.3 48.1 -62.7 -39.3 44.0 39.6 -0.2 115 116 A A H X>S+ 0 0 0 -4,-2.0 5,-1.8 2,-0.2 4,-1.6 0.965 109.6 49.6 -68.6 -54.3 40.5 39.7 1.1 116 117 A V H <5S+ 0 0 11 -4,-3.4 3,-0.2 1,-0.3 -2,-0.2 0.894 110.6 53.0 -52.8 -38.0 40.3 43.5 1.4 117 118 A A H <5S+ 0 0 87 -4,-2.5 -1,-0.3 -5,-0.3 -2,-0.2 0.867 107.5 50.7 -61.2 -45.3 41.6 43.6 -2.2 118 119 A S H <5S- 0 0 31 -4,-1.7 -1,-0.2 -3,-0.5 -2,-0.2 0.686 123.1-108.7 -69.4 -17.4 38.8 41.3 -3.4 119 120 A G T <5 + 0 0 23 -4,-1.6 -3,-0.2 -3,-0.2 -2,-0.1 0.657 65.7 150.8 100.0 13.5 36.4 43.5 -1.6 120 121 A F < - 0 0 0 -5,-1.8 2,-0.6 -6,-0.1 -1,-0.2 -0.340 51.1-120.0 -71.8 152.0 35.4 41.3 1.3 121 122 A M E -e 89 0A 21 -33,-3.1 -31,-1.6 -2,-0.1 2,-0.5 -0.840 41.7-150.6 -88.5 121.3 34.3 42.5 4.7 122 123 A V E -ef 90 161A 0 38,-3.6 40,-3.0 -2,-0.6 2,-0.8 -0.917 25.4-165.1-109.9 130.1 36.9 41.0 7.0 123 124 A I E -ef 91 162A 0 -33,-2.6 -31,-2.3 -2,-0.5 2,-0.5 -0.881 23.3-166.3-100.0 95.5 36.7 39.8 10.6 124 125 A A E -ef 92 163A 0 38,-3.1 40,-2.4 -2,-0.8 2,-0.5 -0.822 7.7-143.6 -92.0 130.3 40.4 39.4 11.5 125 126 A C E + f 0 164A 0 -33,-2.2 2,-0.3 -2,-0.5 40,-0.2 -0.824 25.6 161.6-102.7 126.0 41.2 37.6 14.7 126 127 A I E + f 0 165A 0 38,-2.1 40,-3.4 -2,-0.5 2,-0.2 -0.869 9.3 132.3-135.9 162.7 44.0 38.3 17.2 127 128 A G - 0 0 9 -2,-0.3 2,-0.3 38,-0.2 -2,-0.0 -0.697 42.6-108.6 159.5 151.2 44.7 37.4 20.9 128 129 A E - 0 0 0 -2,-0.2 41,-1.8 1,-0.1 40,-0.2 -0.728 27.7-122.1 -99.8 145.7 47.4 36.0 23.2 129 130 A T > - 0 0 47 -2,-0.3 4,-2.4 39,-0.3 40,-0.2 -0.271 34.9 -98.7 -72.8 173.3 47.7 32.5 24.9 130 131 A L H > S+ 0 0 25 38,-0.2 4,-2.6 2,-0.2 5,-0.2 0.862 123.2 53.6 -58.6 -43.8 48.0 31.9 28.7 131 132 A Q H > S+ 0 0 139 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.969 110.2 47.9 -56.7 -49.1 51.7 31.5 28.5 132 133 A E H 4>S+ 0 0 47 1,-0.2 5,-2.6 2,-0.2 6,-0.3 0.909 113.2 47.2 -56.7 -47.0 52.0 34.8 26.7 133 134 A R H ><5S+ 0 0 69 -4,-2.4 3,-1.3 1,-0.2 5,-0.3 0.893 111.4 51.2 -63.6 -38.3 49.7 36.5 29.3 134 135 A E H 3<5S+ 0 0 147 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.705 105.2 54.7 -79.0 -17.8 51.6 35.1 32.3 135 136 A S T 3<5S- 0 0 74 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.304 120.9-106.3 -92.2 3.5 54.9 36.1 31.1 136 137 A G T < 5S+ 0 0 67 -3,-1.3 4,-0.2 -5,-0.1 -3,-0.2 0.736 86.2 122.4 75.8 30.5 53.7 39.8 30.8 137 138 A R >< + 0 0 121 -5,-2.6 4,-3.0 -6,-0.2 5,-0.3 0.203 27.1 109.3-111.3 14.0 53.6 39.6 27.0 138 139 A T H > S+ 0 0 29 -6,-0.3 4,-2.9 -5,-0.3 5,-0.3 0.974 84.0 44.0 -50.6 -51.3 50.0 40.5 26.3 139 140 A A H > S+ 0 0 46 1,-0.3 4,-2.5 2,-0.2 5,-0.3 0.910 114.7 47.6 -64.0 -48.5 50.8 43.8 24.9 140 141 A V H > S+ 0 0 86 -4,-0.2 4,-0.9 2,-0.2 -1,-0.3 0.846 115.6 44.6 -64.6 -37.6 53.7 42.7 22.8 141 142 A V H X S+ 0 0 13 -4,-3.0 4,-2.5 2,-0.2 3,-0.3 0.974 115.7 44.7 -70.9 -53.3 51.9 39.8 21.3 142 143 A V H X S+ 0 0 1 -4,-2.9 4,-1.8 -5,-0.3 5,-0.2 0.897 112.7 48.9 -57.7 -46.7 48.7 41.6 20.6 143 144 A L H X S+ 0 0 41 -4,-2.5 4,-2.4 -5,-0.3 -1,-0.2 0.823 110.3 54.3 -67.9 -23.1 50.2 44.7 19.0 144 145 A T H X S+ 0 0 68 -4,-0.9 4,-2.8 -3,-0.3 5,-0.2 0.949 105.0 52.2 -74.4 -45.0 52.4 42.5 16.9 145 146 A Q H X S+ 0 0 13 -4,-2.5 4,-0.9 2,-0.2 -2,-0.2 0.873 114.2 42.1 -57.6 -45.3 49.5 40.7 15.5 146 147 A I H X S+ 0 0 0 -4,-1.8 4,-3.1 2,-0.2 3,-0.4 0.911 112.6 55.9 -69.4 -36.6 47.7 43.9 14.5 147 148 A A H X S+ 0 0 36 -4,-2.4 4,-1.9 1,-0.3 -2,-0.2 0.916 102.0 54.6 -65.1 -37.4 50.9 45.4 13.2 148 149 A A H X S+ 0 0 17 -4,-2.8 4,-0.6 2,-0.2 -1,-0.3 0.891 113.8 42.8 -61.6 -32.8 51.5 42.5 10.9 149 150 A I H >< S+ 0 0 1 -4,-0.9 3,-1.8 -3,-0.4 -2,-0.2 0.968 110.6 54.8 -75.0 -50.8 48.1 43.1 9.4 150 151 A A H >< S+ 0 0 11 -4,-3.1 3,-1.2 1,-0.3 -1,-0.2 0.654 94.8 69.5 -53.2 -35.3 48.4 46.8 9.3 151 152 A K H 3< S+ 0 0 149 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.877 101.0 46.7 -54.0 -38.4 51.6 46.6 7.3 152 153 A K T << S+ 0 0 72 -3,-1.8 2,-0.4 -4,-0.6 -1,-0.2 0.439 101.8 83.8 -92.3 12.6 49.7 45.3 4.3 153 154 A L < - 0 0 21 -3,-1.2 2,-0.2 -4,-0.2 -40,-0.0 -0.913 62.5-143.4-126.2 142.2 46.9 47.9 4.4 154 155 A K > - 0 0 158 -2,-0.4 3,-1.2 1,-0.1 4,-0.5 -0.521 40.4-103.9 -84.3 157.4 46.3 51.4 3.2 155 156 A K G > S+ 0 0 109 1,-0.3 3,-2.1 -2,-0.2 4,-0.2 0.907 121.1 57.0 -48.0 -56.5 44.3 53.8 5.3 156 157 A A G > S+ 0 0 81 1,-0.3 3,-1.2 2,-0.1 -1,-0.3 0.746 94.9 66.6 -40.0 -48.0 41.3 53.4 3.0 157 158 A D G X S+ 0 0 41 -3,-1.2 3,-2.0 1,-0.2 -1,-0.3 0.661 79.3 81.4 -54.2 -27.1 41.2 49.6 3.5 158 159 A W G X S+ 0 0 9 -3,-2.1 3,-1.3 -4,-0.5 -1,-0.2 0.648 76.8 71.3 -54.9 -26.0 40.3 49.9 7.2 159 160 A A G < S+ 0 0 70 -3,-1.2 -1,-0.3 -4,-0.2 -2,-0.1 0.651 97.7 49.6 -62.0 -24.6 36.7 50.4 6.3 160 161 A K G < S+ 0 0 66 -3,-2.0 -38,-3.6 -4,-0.1 2,-0.4 0.263 99.5 94.0-100.2 4.7 36.5 46.8 5.3 161 162 A V E < -f 122 0A 3 -3,-1.3 45,-0.6 -40,-0.2 2,-0.4 -0.859 44.9-179.2-116.6 137.7 38.1 45.5 8.5 162 163 A V E -fg 123 206A 0 -40,-3.0 -38,-3.1 -2,-0.4 2,-0.4 -0.994 17.4-146.8-129.0 130.4 36.8 44.2 11.8 163 164 A I E -fg 124 207A 0 43,-2.5 45,-3.6 -2,-0.4 2,-0.5 -0.858 8.6-167.1-101.7 131.3 39.1 43.1 14.6 164 165 A A E -fg 125 208A 0 -40,-2.4 -38,-2.1 -2,-0.4 2,-0.7 -0.989 11.3-150.6-118.2 111.9 38.0 40.3 16.9 165 166 A Y E -fg 126 209A 0 43,-2.6 45,-2.2 -2,-0.5 -38,-0.2 -0.852 11.2-165.2 -85.2 118.8 40.1 40.0 20.1 166 167 A E - 0 0 6 -40,-3.4 2,-2.2 -2,-0.7 3,-0.2 -0.867 15.6-145.7-104.2 112.4 40.1 36.4 21.3 167 168 A P >> + 0 0 0 0, 0.0 3,-2.1 0, 0.0 4,-0.8 -0.519 23.5 176.6 -72.5 78.4 41.4 36.0 24.9 168 169 A V G >4 S+ 0 0 33 -2,-2.2 3,-1.1 1,-0.3 -39,-0.3 0.884 73.1 68.0 -54.0 -35.4 43.1 32.6 24.2 169 170 A W G 34 S+ 0 0 11 -41,-1.8 6,-0.4 1,-0.3 -1,-0.3 0.710 105.7 39.4 -48.8 -33.9 44.4 32.6 27.8 170 171 A A G <4 S+ 0 0 17 -3,-2.1 2,-0.7 4,-0.1 3,-0.5 0.601 93.3 98.6 -93.2 -16.6 40.8 32.1 29.1 171 172 A I S << S- 0 0 61 -3,-1.1 -41,-0.1 -4,-0.8 5,-0.1 -0.717 108.3 -22.1 -84.9 106.6 39.6 29.7 26.4 172 173 A G S S+ 0 0 90 -2,-0.7 -1,-0.2 3,-0.2 -2,-0.1 0.671 113.5 100.0 69.6 26.0 39.7 26.0 27.6 173 174 A T S S- 0 0 51 -3,-0.5 -2,-0.1 2,-0.2 3,-0.1 0.544 97.6-105.2-117.7 -12.3 42.4 26.7 30.3 174 175 A G S S+ 0 0 72 -4,-0.4 -4,-0.1 1,-0.4 -3,-0.1 0.189 80.1 126.8 101.8 -9.4 40.3 26.9 33.4 175 176 A K - 0 0 103 -6,-0.4 2,-0.4 1,-0.0 -1,-0.4 -0.348 51.6-137.1 -83.4 160.4 40.5 30.7 33.6 176 177 A V - 0 0 120 -3,-0.1 2,-0.4 -2,-0.1 -5,-0.1 -0.962 10.3-149.6-114.2 134.3 37.8 33.4 33.8 177 178 A A - 0 0 27 -2,-0.4 3,-0.0 -7,-0.1 34,-0.0 -0.788 12.7-151.0-102.7 134.5 37.8 36.6 31.8 178 179 A T >> - 0 0 51 -2,-0.4 4,-2.7 1,-0.1 3,-0.8 -0.805 26.6-113.3 -97.8 160.0 36.2 39.7 33.3 179 180 A P H 3> S+ 0 0 44 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.898 118.6 53.9 -57.8 -34.5 34.6 42.6 31.5 180 181 A Q H 3> S+ 0 0 131 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.882 108.4 49.9 -69.1 -32.6 37.4 44.9 32.7 181 182 A Q H <> S+ 0 0 51 -3,-0.8 4,-1.6 2,-0.2 5,-0.3 0.939 110.1 49.5 -66.2 -50.0 39.9 42.5 31.3 182 183 A A H >X S+ 0 0 1 -4,-2.7 4,-1.6 2,-0.2 3,-0.6 0.937 111.4 49.8 -46.9 -50.6 38.2 42.3 28.0 183 184 A Q H 3X S+ 0 0 28 -4,-2.3 4,-3.3 1,-0.3 5,-0.2 0.909 105.4 57.1 -66.8 -43.4 38.0 46.1 27.8 184 185 A E H 3X S+ 0 0 114 -4,-2.4 4,-1.7 1,-0.3 -1,-0.3 0.807 108.5 44.9 -53.4 -44.7 41.6 46.5 28.6 185 186 A A H S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 5,-2.0 0.913 111.8 52.9 -59.7 -49.1 45.2 52.0 15.8 194 195 A S H <5S+ 0 0 50 -4,-3.6 5,-0.4 3,-0.2 -1,-0.2 0.902 118.5 35.6 -51.9 -45.6 44.5 55.5 17.0 195 196 A S H <5S+ 0 0 79 -4,-2.1 -2,-0.2 3,-0.2 -1,-0.2 0.953 123.7 39.2 -73.2 -56.7 48.1 56.4 17.2 196 197 A K H <5S+ 0 0 114 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.774 135.1 13.9 -67.1 -40.7 49.5 54.4 14.2 197 198 A I T <5S- 0 0 42 -4,-3.0 -3,-0.2 -5,-0.3 -2,-0.1 0.704 116.1 -80.8-108.6 -42.9 46.7 54.9 11.7 198 199 A G >< - 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0 0 21 29,-0.5 2,-1.4 1,-0.2 -190,-0.2 -0.263 58.0 -24.1 56.5-149.8 41.4 21.0 -6.6 263 314 B C B S+K 71 0D 0 -192,-1.8 -192,-3.0 -3,-0.1 2,-0.3 -0.582 112.6 98.7 -97.9 68.9 40.9 24.7 -5.6 264 315 B N + 0 0 39 -2,-1.4 29,-0.3 -194,-0.2 2,-0.1 -0.967 37.9 72.1-145.6 165.1 39.4 25.8 -8.9 265 316 B G - 0 0 25 -2,-0.3 2,-0.3 27,-0.1 3,-0.1 -0.406 42.4-131.0 116.2 167.4 36.2 26.5 -10.6 266 317 B S > - 0 0 33 -2,-0.1 4,-1.8 1,-0.1 5,-0.2 -0.920 36.1-106.2-147.1 160.1 33.3 28.9 -10.9 267 318 B Q H > S+ 0 0 66 -2,-0.3 4,-2.1 2,-0.2 5,-0.2 0.930 119.4 45.8 -54.4 -48.7 29.6 28.0 -11.0 268 319 B Q H > S+ 0 0 143 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.968 114.7 45.5 -61.0 -54.4 29.3 28.7 -14.7 269 320 B S H > S+ 0 0 36 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.724 113.5 48.5 -60.4 -35.2 32.4 26.8 -15.7 270 321 B L H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.870 107.0 54.6 -78.6 -38.2 31.7 23.8 -13.5 271 322 B S H X S+ 0 0 18 -4,-2.1 4,-1.8 -5,-0.2 -2,-0.2 0.872 106.5 54.4 -60.1 -38.8 28.1 23.4 -14.7 272 323 B E H >X S+ 0 0 106 -4,-1.9 4,-2.1 2,-0.2 3,-0.6 0.964 108.0 47.1 -57.5 -56.8 29.4 23.4 -18.2 273 324 B L H 3X S+ 0 0 16 -4,-1.6 4,-2.6 1,-0.3 -2,-0.2 0.920 113.2 52.1 -49.3 -44.0 31.8 20.4 -17.4 274 325 B I H 3X S+ 0 0 1 -4,-2.5 4,-2.1 2,-0.2 -1,-0.3 0.796 104.3 54.6 -62.7 -34.4 28.9 18.8 -15.8 275 326 B D H X S+ 0 0 56 -4,-2.1 4,-1.4 2,-0.2 3,-0.9 0.944 111.5 53.4 -59.7 -53.4 29.2 17.5 -21.0 277 328 B F H >< S+ 0 0 1 -4,-2.6 3,-0.7 1,-0.3 -2,-0.2 0.904 110.4 46.7 -45.5 -54.3 29.8 14.7 -18.4 278 329 B N H 3< S+ 0 0 41 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.687 110.5 55.5 -56.7 -36.5 26.1 14.0 -18.3 279 330 B S H << S+ 0 0 104 -4,-1.0 -1,-0.2 -3,-0.9 -2,-0.2 0.614 89.9 97.3 -73.5 -28.3 26.0 14.0 -22.1 280 331 B T << - 0 0 29 -4,-1.4 2,-0.6 -3,-0.7 -3,-0.0 -0.316 68.5-136.6 -73.7 144.5 28.6 11.4 -22.5 281 332 B S - 0 0 76 -2,-0.1 2,-0.6 25,-0.0 -2,-0.1 -0.940 15.1-168.8-106.8 117.2 28.0 7.8 -23.0 282 333 B I + 0 0 15 -2,-0.6 4,-0.1 1,-0.1 214,-0.0 -0.957 8.4 176.1-110.7 115.9 30.1 5.4 -21.0 283 334 B N + 0 0 137 -2,-0.6 2,-0.2 2,-0.1 -1,-0.1 0.672 54.5 67.6 -95.8 -20.6 29.7 1.9 -22.2 284 335 B H S S- 0 0 42 214,-0.1 2,-0.7 1,-0.0 214,-0.0 -0.601 94.9 -89.8-100.2 164.7 32.2 0.0 -20.1 285 336 B D + 0 0 110 -2,-0.2 2,-0.3 214,-0.2 214,-0.1 -0.677 69.3 138.4 -82.2 103.9 32.3 -0.8 -16.4 286 337 B V - 0 0 3 -2,-0.7 2,-0.6 -32,-0.1 -30,-0.2 -0.942 48.7-135.2-143.5 137.4 34.1 2.2 -14.9 287 338 B Q E -l 256 0E 37 -32,-2.3 -30,-1.9 -2,-0.3 2,-0.4 -0.903 22.3-158.9 -98.1 113.1 33.6 4.2 -11.7 288 339 B C E -ln 257 309E 0 20,-3.2 22,-1.8 -2,-0.6 2,-0.4 -0.806 6.9-163.5 -93.2 135.6 33.9 7.9 -12.5 289 340 B V E -ln 258 310E 1 -32,-2.9 -30,-2.9 -2,-0.4 2,-0.5 -0.970 8.0-162.5-121.7 136.7 34.6 10.2 -9.5 290 341 B V E -ln 259 311E 1 20,-2.2 22,-2.7 -2,-0.4 2,-0.7 -0.985 4.0-167.2-120.9 117.8 34.3 14.0 -9.3 291 342 B A E +ln 260 312E 4 -32,-3.1 -30,-1.8 -2,-0.5 -29,-0.5 -0.865 16.3 172.5-107.6 101.0 36.0 15.9 -6.5 292 343 B S - 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0 0 4 34,-0.6 -1,-0.1 -2,-0.1 44,-0.1 -0.415 34.6-112.3 -68.1 157.3 55.9 9.1 -15.7 428 479 B T >> - 0 0 58 1,-0.1 4,-2.5 -2,-0.1 3,-1.0 -0.573 29.6-105.8 -85.9 154.2 56.6 6.6 -18.4 429 480 B P H 3> S+ 0 0 25 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.804 122.7 54.1 -51.0 -25.5 54.4 3.4 -18.5 430 481 B Q H 3> S+ 0 0 113 2,-0.2 4,-1.7 3,-0.2 5,-0.1 0.871 108.6 46.9 -77.0 -35.1 57.5 1.5 -17.2 431 482 B Q H <> S+ 0 0 51 -3,-1.0 4,-2.2 2,-0.2 5,-0.2 0.922 113.4 47.6 -71.7 -43.7 57.9 3.8 -14.2 432 483 B A H X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.944 112.2 51.1 -60.1 -47.0 54.3 3.7 -13.3 433 484 B Q H X S+ 0 0 11 -4,-1.7 4,-2.2 -5,-0.3 5,-0.3 0.874 110.3 47.3 -61.7 -34.9 54.2 -0.1 -13.6 434 485 B E H X S+ 0 0 135 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.894 113.5 48.6 -79.6 -30.4 57.2 -0.7 -11.4 435 486 B A H X S+ 0 0 7 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.963 114.1 45.0 -66.3 -48.3 55.8 1.6 -8.8 436 487 B H H X S+ 0 0 0 -4,-3.0 4,-2.4 2,-0.2 -2,-0.2 0.848 111.7 51.9 -63.7 -40.7 52.4 0.0 -8.8 437 488 B A H X S+ 0 0 33 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.893 107.7 53.7 -67.8 -37.2 53.7 -3.5 -8.8 438 489 B L H X S+ 0 0 54 -4,-1.8 4,-1.6 -5,-0.3 3,-0.3 0.993 110.0 45.9 -61.8 -47.1 55.8 -2.6 -5.9 439 490 B I H X S+ 0 0 1 -4,-2.4 4,-1.9 1,-0.2 3,-0.3 0.906 112.6 51.8 -57.4 -43.1 52.8 -1.4 -4.0 440 491 B R H X S+ 0 0 29 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.854 106.1 54.1 -62.8 -37.1 50.8 -4.5 -5.0 441 492 B S H X S+ 0 0 74 -4,-2.2 4,-1.1 -3,-0.3 -1,-0.2 0.740 105.4 52.9 -66.6 -35.4 53.5 -6.8 -3.8 442 493 B W H X S+ 0 0 48 -4,-1.6 4,-3.1 -3,-0.3 5,-0.4 0.957 110.6 48.2 -67.3 -47.4 53.5 -5.2 -0.4 443 494 B V H X>S+ 0 0 0 -4,-1.9 4,-3.4 1,-0.2 5,-1.8 0.950 111.4 47.2 -58.2 -58.5 49.7 -5.7 -0.1 444 495 B S H <5S+ 0 0 48 -4,-2.9 5,-0.3 3,-0.2 -1,-0.2 0.797 118.4 44.8 -53.8 -33.0 49.7 -9.4 -1.2 445 496 B S H <5S+ 0 0 80 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.947 124.1 28.1 -74.4 -53.7 52.5 -10.0 1.2 446 497 B K H <5S+ 0 0 131 -4,-3.1 -2,-0.2 -5,-0.1 -3,-0.2 0.746 138.4 18.9 -83.5 -28.4 51.4 -8.1 4.3 447 498 B I T <5S- 0 0 45 -4,-3.4 -3,-0.2 -5,-0.4 2,-0.2 0.774 114.3 -77.0-111.3 -57.7 47.7 -8.3 3.8 448 499 B G >< - 0 0 13 -5,-1.8 4,-2.2 1,-0.1 -3,-0.2 -0.665 23.7-107.8 156.2 147.1 46.7 -11.1 1.4 449 500 B A H > S+ 0 0 74 -5,-0.3 4,-1.9 1,-0.2 5,-0.1 0.775 116.1 60.5 -65.4 -28.6 46.6 -12.0 -2.2 450 501 B D H > S+ 0 0 88 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.941 109.3 41.2 -56.1 -55.4 42.9 -11.8 -2.1 451 502 B V H >> S+ 0 0 18 1,-0.2 4,-2.0 2,-0.2 3,-0.5 0.930 112.9 54.4 -58.8 -52.0 43.1 -8.1 -1.2 452 503 B A H 3< S+ 0 0 4 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.743 105.8 52.0 -54.0 -42.1 45.9 -7.4 -3.6 453 504 B G H 3< S+ 0 0 39 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.861 115.5 42.0 -69.4 -31.7 44.1 -8.8 -6.6 454 505 B E H << S+ 0 0 146 -4,-1.3 -2,-0.2 -3,-0.5 -1,-0.2 0.694 88.2 110.6 -84.2 -27.9 41.1 -6.5 -5.8 455 506 B L < - 0 0 7 -4,-2.0 2,-0.5 -5,-0.1 -43,-0.1 -0.303 59.8-144.9 -56.3 129.7 42.9 -3.4 -4.9 456 507 B R E -r 412 0E 33 -45,-0.5 -43,-2.2 -204,-0.1 2,-0.5 -0.850 15.5-170.5 -94.2 123.0 42.6 -0.5 -7.3 457 508 B I E -r 413 0E 0 -2,-0.5 21,-2.4 -45,-0.2 22,-0.3 -0.982 9.1-158.0-120.5 114.7 45.8 1.5 -7.6 458 509 B L E -r 414 0E 0 -45,-3.2 -43,-3.7 -2,-0.5 2,-0.4 -0.645 8.0-133.9 -95.9 152.3 45.4 4.7 -9.6 459 510 B Y E +rs 415 480E 0 20,-2.9 22,-1.6 -2,-0.2 2,-0.3 -0.882 24.0 178.8-108.8 141.5 48.1 6.7 -11.3 460 511 B G + 0 0 2 -45,-2.1 -40,-0.2 -2,-0.4 22,-0.1 -1.000 31.4 87.7-143.3 139.4 48.4 10.4 -11.1 461 512 B G S S- 0 0 9 20,-0.4 -34,-0.6 -2,-0.3 -40,-0.2 0.306 99.8 -14.6 135.5 94.5 50.7 13.1 -12.4 462 513 B S S S+ 0 0 28 1,-0.2 2,-0.4 -36,-0.1 -36,-0.2 0.773 78.6 168.2 62.0 35.5 50.3 14.9 -15.8 463 514 B V + 0 0 8 18,-0.2 22,-0.4 -43,-0.1 2,-0.3 -0.685 7.5 165.7 -82.2 131.4 47.7 12.4 -17.2 464 515 B N > - 0 0 56 -2,-0.4 4,-1.9 20,-0.1 3,-0.3 -0.888 52.5 -84.5-137.9 171.1 46.1 13.8 -20.3 465 516 B G T 4 S+ 0 0 21 -2,-0.3 4,-0.5 1,-0.2 -2,-0.0 0.748 122.4 45.8 -46.7 -37.2 44.0 12.6 -23.3 466 517 B K T 4 S+ 0 0 191 1,-0.2 4,-0.4 2,-0.1 3,-0.2 0.910 116.9 36.3 -76.9 -49.8 47.0 11.4 -25.2 467 518 B N T > S+ 0 0 31 -3,-0.3 4,-1.5 1,-0.2 -2,-0.2 0.580 95.0 81.3 -87.0 -17.5 49.1 9.5 -22.7 468 519 B A H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 5,-0.3 0.929 84.1 62.6 -57.7 -44.9 46.4 7.9 -20.7 469 520 B R H > S+ 0 0 97 -4,-0.5 4,-1.2 -3,-0.2 -1,-0.2 0.898 107.3 42.2 -42.3 -59.5 45.9 5.0 -23.2 470 521 B T H 4 S+ 0 0 64 -4,-0.4 4,-0.4 1,-0.2 -1,-0.2 0.814 111.7 54.3 -55.4 -47.6 49.4 3.6 -22.8 471 522 B L H >< S+ 0 0 4 -4,-1.5 3,-1.6 1,-0.2 -1,-0.2 0.914 107.7 50.5 -55.4 -47.0 49.5 4.0 -19.0 472 523 B Y H 3< S+ 0 0 3 -4,-2.4 5,-0.2 1,-0.3 -1,-0.2 0.754 94.6 72.5 -64.0 -35.7 46.3 2.0 -18.6 473 524 B Q T 3< S+ 0 0 110 -4,-1.2 -1,-0.3 -5,-0.3 -2,-0.2 0.692 78.8 102.9 -52.9 -21.2 47.8 -0.7 -20.8 474 525 B Q S X S- 0 0 46 -3,-1.6 3,-1.6 -4,-0.4 -44,-0.0 -0.396 79.4-124.5 -71.0 141.2 50.0 -1.6 -17.8 475 526 B R T 3 S+ 0 0 187 1,-0.3 -1,-0.1 -2,-0.1 -3,-0.0 0.788 106.1 33.0 -48.3 -51.2 49.2 -4.6 -15.6 476 527 B D T 3 S+ 0 0 29 -224,-0.1 2,-0.6 -20,-0.0 -1,-0.3 0.110 91.0 101.6-101.0 13.5 48.9 -2.9 -12.3 477 528 B V < + 0 0 0 -3,-1.6 -19,-0.2 -5,-0.2 3,-0.1 -0.936 42.4 176.8 -97.6 101.6 47.6 0.5 -13.4 478 529 B N - 0 0 0 -21,-2.4 -222,-1.4 -2,-0.6 2,-0.3 0.116 56.6 -61.2 -92.2 10.4 43.8 0.5 -12.6 479 530 B G E -m 256 0E 0 -22,-0.3 -20,-2.9 -224,-0.2 2,-0.3 -0.873 60.6 -74.1 146.9-156.7 43.0 4.0 -13.6 480 531 B F E -ms 257 459E 0 -224,-1.3 -222,-2.1 -22,-0.3 2,-0.5 -0.923 5.4-145.6-145.7 161.1 43.8 7.7 -12.8 481 532 B L E -m 258 0E 10 -22,-1.6 2,-0.5 -2,-0.3 -20,-0.4 -0.997 36.2-161.6-126.1 115.5 43.4 10.6 -10.5 482 533 B V E +m 259 0E 3 -224,-4.2 -222,-2.3 -2,-0.5 4,-0.1 -0.903 21.9 169.2-118.0 122.6 43.3 13.7 -12.7 483 534 B G S > S+ 0 0 20 -2,-0.5 3,-3.0 -224,-0.2 4,-0.4 0.712 74.6 18.4 -85.9-100.3 43.9 17.3 -11.8 484 535 B G G > S+ 0 0 55 1,-0.3 3,-0.8 2,-0.2 -1,-0.1 0.625 123.0 52.9 -43.4 -38.3 44.3 19.9 -14.6 485 536 B A G > S+ 0 0 9 -22,-0.4 3,-1.1 1,-0.2 6,-0.8 0.671 96.2 70.7 -78.2 -14.7 42.8 17.9 -17.5 486 537 B S G < S+ 0 0 0 -3,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.613 88.7 61.4 -79.5 -9.5 39.7 17.3 -15.4 487 538 B L G < S+ 0 0 63 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.1 0.351 107.2 58.3 -88.5 -4.5 38.8 21.0 -15.8 488 539 B K S X S- 0 0 102 -3,-1.1 3,-1.6 -215,-0.0 4,-0.2 -0.852 96.2-102.7-121.0 172.2 38.6 20.4 -19.6 489 540 B P T >> S+ 0 0 80 0, 0.0 3,-2.8 0, 0.0 4,-0.5 0.743 105.1 81.7 -69.4 -20.4 36.8 18.2 -22.0 490 541 B E H >> S+ 0 0 53 1,-0.3 4,-1.7 2,-0.2 3,-0.9 0.734 72.1 80.9 -58.9 -16.9 39.7 15.8 -22.5 491 542 B F H <> S+ 0 0 0 -3,-1.6 4,-1.9 -6,-0.8 -1,-0.3 0.753 83.9 63.0 -54.5 -29.3 38.6 14.2 -19.2 492 543 B V H <> S+ 0 0 17 -3,-2.8 4,-2.0 2,-0.2 -1,-0.3 0.931 102.2 47.7 -65.0 -41.1 36.2 12.4 -21.5 493 544 B D H < S+ 0 0 2 -4,-1.9 3,-1.4 1,-0.2 -1,-0.2 0.932 111.2 47.9 -57.3 -50.8 37.5 7.9 -19.1 496 547 B K H 3< S+ 0 0 117 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.669 97.6 71.7 -65.1 -18.5 37.4 6.1 -22.4 497 548 B A H 3< S+ 0 0 7 -4,-1.8 -1,-0.2 -3,-0.3 -2,-0.2 0.709 92.6 69.5 -73.5 -13.2 41.1 5.3 -22.1 498 549 B T << 0 0 1 -3,-1.4 -214,-0.1 -4,-0.5 -212,-0.1 -0.325 360.0 360.0 -94.1 179.7 40.2 2.7 -19.3 499 550 B Q 0 0 111 -2,-0.1 -214,-0.2 -27,-0.1 -1,-0.1 -0.191 360.0 360.0 172.3 360.0 38.3 -0.5 -19.7