==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 03-DEC-11 3UWY . COMPND 2 MOLECULE: TRIOSEPHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR S.MUKHERJEE,A.ROYCHOWDHURY,D.DUTTA,A.K.DAS . 514 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20370.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 369 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 76 14.8 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 . 39 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 172 33.5 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 5 4 3 2 0 4 0 2 1 3 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 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 -7 A H 0 0 148 0, 0.0 3,-0.2 0, 0.0 9,-0.1 0.000 360.0 360.0 360.0 151.1 13.4 60.9 24.3 2 -6 A H >> + 0 0 68 1,-0.1 3,-2.7 7,-0.1 4,-1.5 0.177 360.0 119.1-110.3 16.7 14.8 63.2 21.6 3 -5 A H H 3> + 0 0 87 1,-0.3 4,-1.6 2,-0.2 -1,-0.1 0.739 68.5 64.6 -55.7 -27.0 14.0 60.9 18.6 4 -4 A H H 34 S+ 0 0 160 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.683 110.0 39.5 -65.1 -19.9 11.8 63.7 17.1 5 -3 A H H <4 S+ 0 0 94 -3,-2.7 -2,-0.2 36,-0.2 -1,-0.2 0.840 129.4 22.1-100.4 -41.2 15.0 65.8 16.7 6 -2 A H H < S- 0 0 38 -4,-1.5 -3,-0.2 35,-0.3 -2,-0.1 0.609 88.4-132.2-106.5 -17.9 17.7 63.3 15.6 7 -1 A G < + 0 0 68 -4,-1.6 2,-0.2 -5,-0.3 -4,-0.1 0.496 68.4 110.0 79.4 4.0 15.7 60.4 14.1 8 0 A S S S- 0 0 56 -6,-0.1 -1,-0.3 1,-0.1 -2,-0.2 -0.623 78.3-121.1-105.2 165.7 17.6 57.7 15.9 9 1 A M S S+ 0 0 103 -2,-0.2 2,-0.4 1,-0.2 -6,-0.1 0.712 104.4 37.6 -71.1 -21.8 16.7 55.3 18.8 10 2 A R S S- 0 0 29 -8,-0.1 -1,-0.2 -7,-0.1 206,-0.1 -0.998 91.3-112.7-136.1 133.0 19.5 56.9 20.7 11 3 A T - 0 0 12 -2,-0.4 32,-0.1 -3,-0.1 31,-0.1 -0.473 41.3-113.2 -62.1 124.0 20.8 60.5 20.9 12 4 A P - 0 0 10 0, 0.0 32,-3.0 0, 0.0 2,-0.4 -0.358 33.8-160.6 -55.5 137.9 24.3 60.7 19.3 13 5 A I E -ab 44 240A 0 226,-1.9 228,-1.3 30,-0.2 2,-0.6 -0.967 11.1-170.2-131.1 115.8 26.9 61.5 21.9 14 6 A I E -ab 45 241A 0 30,-2.8 32,-2.3 -2,-0.4 2,-0.6 -0.925 8.1-172.1-103.2 118.4 30.4 62.9 21.0 15 7 A A E -ab 46 242A 0 226,-2.6 228,-2.6 -2,-0.6 2,-0.8 -0.958 13.9-148.0-113.1 117.1 32.7 63.0 24.0 16 8 A G E -ab 47 243A 0 30,-3.7 32,-3.8 -2,-0.6 2,-1.0 -0.767 8.7-159.5 -83.3 111.9 36.1 64.8 23.5 17 9 A N E -a 48 0A 1 226,-3.0 230,-0.2 -2,-0.8 32,-0.1 -0.812 11.6-179.0 -92.7 98.8 38.7 63.0 25.6 18 10 A W - 0 0 2 30,-1.9 318,-0.2 -2,-1.0 -1,-0.2 0.635 20.0-168.3 -68.3 -14.7 41.5 65.6 26.1 19 11 A K - 0 0 40 29,-0.5 2,-1.6 1,-0.2 -1,-0.2 -0.251 62.4 -15.3 51.1-143.9 43.5 63.1 28.1 20 12 A M B S+I 336 0B 0 316,-2.2 316,-1.8 29,-0.1 2,-0.3 -0.564 107.1 117.9 -89.9 76.6 46.4 64.7 29.9 21 13 A N + 0 0 24 -2,-1.6 314,-0.1 314,-0.2 -3,-0.1 -0.986 42.7 24.0-144.4 149.4 46.5 68.0 27.9 22 14 A K - 0 0 45 -2,-0.3 321,-0.2 27,-0.1 2,-0.1 0.448 64.4-103.0 81.0 145.0 46.1 71.8 28.4 23 15 A T > - 0 0 10 322,-0.1 4,-2.0 1,-0.1 5,-0.1 -0.405 42.4-100.3 -81.9 171.9 46.6 74.2 31.3 24 16 A V H > S+ 0 0 3 322,-0.3 4,-2.1 1,-0.2 5,-0.1 0.922 126.5 51.6 -60.5 -42.5 43.5 75.6 33.1 25 17 A Q H > S+ 0 0 92 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.895 108.4 49.4 -60.4 -44.1 43.9 78.8 31.1 26 18 A E H > S+ 0 0 104 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.850 110.0 52.3 -65.0 -35.2 44.1 76.9 27.8 27 19 A A H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.893 110.5 47.6 -65.2 -43.3 40.9 75.0 28.8 28 20 A K H X S+ 0 0 70 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.912 111.1 51.0 -62.0 -45.0 39.1 78.3 29.5 29 21 A D H X S+ 0 0 92 -4,-2.5 4,-1.1 1,-0.2 -2,-0.2 0.892 107.6 55.0 -60.3 -41.2 40.3 79.7 26.2 30 22 A F H >< S+ 0 0 10 -4,-2.1 3,-0.6 1,-0.2 4,-0.4 0.954 112.5 39.6 -56.7 -56.2 39.0 76.7 24.4 31 23 A V H >< S+ 0 0 2 -4,-1.9 3,-1.1 1,-0.2 35,-0.3 0.865 112.5 55.5 -67.5 -36.8 35.4 76.9 25.7 32 24 A N H 3< S+ 0 0 87 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.707 108.3 50.8 -69.3 -17.4 35.2 80.7 25.5 33 25 A A T << S+ 0 0 64 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.460 83.2 117.3 -95.6 -3.6 36.1 80.4 21.7 34 26 A L < - 0 0 19 -3,-1.1 32,-0.3 -4,-0.4 3,-0.1 -0.406 56.4-141.5 -68.3 136.6 33.4 77.8 20.9 35 27 A P - 0 0 64 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.139 51.9 -49.2 -77.7-173.0 30.8 78.9 18.4 36 28 A T - 0 0 135 30,-0.1 32,-0.1 1,-0.0 3,-0.1 -0.433 66.4-145.0 -56.0 123.3 27.1 77.9 18.6 37 29 A L - 0 0 13 30,-0.6 3,-0.1 -2,-0.2 -1,-0.0 -0.486 26.5 -85.0 -87.4 161.1 27.0 74.2 19.2 38 30 A P - 0 0 14 0, 0.0 7,-0.1 0, 0.0 -1,-0.1 -0.341 61.9 -81.7 -58.2 150.4 24.4 71.8 17.9 39 31 A D >> - 0 0 90 1,-0.1 4,-2.3 2,-0.1 3,-2.2 -0.308 37.4-122.7 -55.5 136.1 21.2 71.5 20.0 40 32 A S T 34 S+ 0 0 36 1,-0.3 -1,-0.1 2,-0.2 28,-0.0 0.707 112.3 55.3 -54.7 -27.3 21.7 69.1 22.9 41 33 A K T 34 S+ 0 0 60 1,-0.1 -1,-0.3 2,-0.1 -35,-0.3 0.565 111.0 44.5 -85.0 -11.7 18.7 67.0 21.7 42 34 A E T <4 S- 0 0 66 -3,-2.2 2,-0.4 1,-0.4 -2,-0.2 0.859 134.6 -1.2 -91.3 -53.0 20.3 66.6 18.2 43 35 A V S < S- 0 0 0 -4,-2.3 2,-0.5 -32,-0.1 -1,-0.4 -0.987 71.0-133.3-141.1 127.6 23.9 65.8 19.3 44 36 A E E -a 13 0A 13 -32,-3.0 -30,-2.8 -2,-0.4 2,-0.5 -0.733 22.5-152.7 -83.5 128.3 25.1 65.6 22.9 45 37 A S E +ac 14 69A 2 23,-0.5 25,-2.5 -2,-0.5 2,-0.4 -0.898 18.5 172.6-107.8 122.9 28.4 67.5 23.3 46 38 A V E -ac 15 70A 0 -32,-2.3 -30,-3.7 -2,-0.5 2,-0.5 -0.994 21.2-163.5-134.0 135.3 30.9 66.5 26.0 47 39 A I E -ac 16 71A 0 23,-2.0 25,-2.7 -2,-0.4 2,-0.8 -0.982 12.9-157.8-110.3 117.0 34.5 67.6 26.9 48 40 A C E +ac 17 72A 0 -32,-3.8 -30,-1.9 -2,-0.5 -29,-0.5 -0.858 25.8 177.2 -95.8 106.7 36.1 65.1 29.2 49 41 A A E - c 0 73A 0 23,-2.1 25,-0.6 -2,-0.8 -29,-0.1 -0.680 35.2 -84.8-112.9 159.5 38.9 67.1 30.9 50 42 A P >> - 0 0 6 0, 0.0 3,-2.1 0, 0.0 4,-0.6 -0.316 46.0-110.8 -56.1 144.8 41.6 66.5 33.6 51 43 A A G >4 S+ 0 0 15 1,-0.3 3,-1.2 2,-0.2 4,-0.5 0.829 114.6 66.5 -44.8 -41.4 40.4 67.1 37.2 52 44 A I G 34 S+ 0 0 2 1,-0.2 257,-0.3 2,-0.1 4,-0.3 0.739 105.2 41.7 -57.9 -25.9 42.4 70.2 37.5 53 45 A Q G <> S+ 0 0 0 -3,-2.1 4,-2.3 1,-0.1 -1,-0.2 0.558 88.0 91.8 -97.7 -11.7 40.3 72.1 34.8 54 46 A L H S+ 0 0 20 -4,-0.5 4,-2.1 251,-0.3 -1,-0.2 0.961 113.9 41.6 -59.6 -52.0 36.1 73.8 38.2 56 48 A A H > S+ 0 0 12 -4,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.850 116.7 49.5 -64.2 -36.7 36.8 76.4 35.5 57 49 A L H X S+ 0 0 1 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.940 112.2 44.6 -70.8 -49.9 35.0 74.4 32.8 58 50 A T H X S+ 0 0 7 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.869 114.2 52.3 -60.9 -39.0 31.8 73.8 34.8 59 51 A T H X S+ 0 0 57 -4,-2.1 4,-1.2 -5,-0.3 -2,-0.2 0.917 109.0 49.5 -60.7 -45.3 31.9 77.5 35.8 60 52 A A H <>S+ 0 0 10 -4,-2.1 5,-1.9 1,-0.2 -2,-0.2 0.900 113.0 46.5 -62.7 -41.7 32.2 78.5 32.1 61 53 A V H ><5S+ 0 0 33 -4,-2.2 3,-1.1 1,-0.2 -1,-0.2 0.880 110.4 52.3 -68.1 -40.8 29.3 76.3 31.1 62 54 A K H 3<5S+ 0 0 142 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.702 103.9 59.3 -68.4 -21.7 27.1 77.5 34.0 63 55 A E T 3<5S- 0 0 148 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.1 -0.111 125.5 -97.7-100.1 32.7 27.8 81.1 33.0 64 56 A G T X 5S+ 0 0 54 -3,-1.1 3,-0.5 1,-0.2 -3,-0.2 0.423 78.3 136.2 73.7 1.7 26.3 80.6 29.5 65 57 A K T 3 S- 0 0 11 -35,-0.3 3,-2.2 -32,-0.3 -1,-0.2 0.897 90.3-146.7 41.2 58.6 29.3 77.1 25.0 67 59 A Q T < S+ 0 0 175 -3,-0.5 -30,-0.6 1,-0.3 -1,-0.2 -0.336 80.4 26.8 -59.3 124.5 25.6 76.6 25.5 68 60 A G T 3 S+ 0 0 24 1,-0.4 -23,-0.5 -3,-0.2 -1,-0.3 -0.038 91.2 123.1 111.4 -29.0 24.7 72.9 25.2 69 61 A L E < -c 45 0A 1 -3,-2.2 -1,-0.4 -4,-0.1 2,-0.3 -0.394 43.8-159.5 -67.8 138.8 28.2 71.6 26.2 70 62 A E E -c 46 0A 55 -25,-2.5 -23,-2.0 -2,-0.1 2,-0.4 -0.869 12.9-126.8-115.8 155.4 28.5 69.2 29.1 71 63 A I E -c 47 0A 2 26,-0.4 28,-2.7 -2,-0.3 29,-1.3 -0.840 23.6-173.8-106.8 135.9 31.6 68.5 31.2 72 64 A G E -cd 48 100A 0 -25,-2.7 -23,-2.1 -2,-0.4 2,-0.3 -0.867 16.5-133.8-120.6 159.7 33.0 65.0 31.8 73 65 A A E -cd 49 101A 2 27,-2.5 29,-2.7 -2,-0.3 3,-0.1 -0.715 11.4-137.7-104.5 162.5 35.8 63.7 34.0 74 66 A Q S S- 0 0 4 -25,-0.6 2,-0.3 -2,-0.3 31,-0.3 0.540 80.1 -6.6 -96.3 -8.7 38.5 61.2 32.9 75 67 A N - 0 0 19 28,-0.1 2,-0.3 265,-0.1 -1,-0.3 -0.958 56.7-170.5-173.7 160.6 38.4 59.0 36.1 76 68 A T - 0 0 0 -2,-0.3 2,-0.2 -3,-0.1 13,-0.2 -0.979 24.8-118.4-153.4 157.7 37.0 58.8 39.7 77 69 A Y - 0 0 14 11,-2.9 -2,-0.0 -2,-0.3 7,-0.0 -0.548 24.4-128.8 -88.8 169.9 37.5 56.7 42.8 78 70 A F S S+ 0 0 35 -2,-0.2 2,-0.3 11,-0.1 -1,-0.1 0.488 83.0 80.3-101.3 -7.9 34.5 54.7 44.1 79 71 A E S S- 0 0 88 1,-0.1 12,-0.2 5,-0.0 -2,-0.2 -0.691 78.7-130.9 -92.6 154.9 34.5 55.9 47.7 80 72 A D S S- 0 0 67 -2,-0.3 11,-0.5 1,-0.2 2,-0.3 0.909 81.9 -24.0 -67.1 -47.2 33.0 59.3 48.7 81 73 A N S S+ 0 0 92 8,-0.1 2,-0.3 194,-0.1 -1,-0.2 -0.934 83.9 93.4-153.6 171.5 36.0 60.4 50.6 82 74 A G B S-J 274 0C 15 192,-2.7 2,-2.5 -2,-0.3 192,-1.9 -0.824 72.5 -16.2 137.5-168.7 39.0 59.0 52.5 83 75 A A S S+ 0 0 48 -2,-0.3 2,-0.2 190,-0.2 190,-0.1 -0.371 79.7 119.2 -76.2 66.2 42.7 57.9 52.6 84 76 A F > - 0 0 38 -2,-2.5 3,-2.3 3,-0.1 -1,-0.1 -0.566 53.3-153.1-132.6 68.4 43.3 57.6 48.8 85 77 A T T 3 S+ 0 0 0 1,-0.3 3,-0.1 -2,-0.2 -2,-0.1 -0.124 78.7 13.7 -46.5 126.7 46.1 60.1 48.1 86 78 A G T 3 S+ 0 0 25 1,-0.3 -1,-0.3 187,-0.1 2,-0.2 0.333 97.7 124.7 87.3 -6.9 45.9 61.5 44.5 87 79 A E < - 0 0 6 -3,-2.3 2,-0.5 241,-0.1 -1,-0.3 -0.543 58.3-126.0 -85.8 152.9 42.4 60.2 43.8 88 80 A T - 0 0 21 -2,-0.2 -11,-2.9 -3,-0.1 186,-0.1 -0.856 22.8-133.0 -98.5 128.2 39.4 62.2 42.6 89 81 A S > - 0 0 12 -2,-0.5 4,-1.7 -13,-0.2 -9,-0.1 -0.580 4.6-143.4 -81.0 139.0 36.1 62.0 44.6 90 82 A P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.747 104.0 59.0 -69.4 -22.6 32.7 61.5 42.9 91 83 A V H > S+ 0 0 45 -11,-0.5 4,-2.0 -12,-0.2 5,-0.1 0.896 106.6 46.3 -70.7 -42.5 31.2 63.9 45.5 92 84 A A H > S+ 0 0 2 -12,-0.3 4,-0.7 2,-0.2 186,-0.2 0.871 113.7 49.7 -65.8 -39.7 33.6 66.7 44.4 93 85 A L H >X>S+ 0 0 0 -4,-1.7 5,-1.6 2,-0.2 3,-1.0 0.957 111.8 46.9 -60.6 -53.2 32.8 65.9 40.7 94 86 A A H ><5S+ 0 0 30 -4,-2.4 3,-1.0 1,-0.2 -2,-0.2 0.866 105.6 59.3 -59.6 -40.6 29.0 66.0 41.2 95 87 A D H 3<5S+ 0 0 95 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.708 103.3 53.0 -65.0 -22.7 29.0 69.2 43.3 96 88 A L H <<5S- 0 0 15 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.693 121.0-106.8 -82.9 -20.7 30.6 71.0 40.3 97 89 A G T <<5 + 0 0 36 -3,-1.0 -26,-0.4 -4,-0.7 -3,-0.2 0.639 58.0 166.3 98.4 18.7 27.9 69.8 37.9 98 90 A V < - 0 0 6 -5,-1.6 -1,-0.2 1,-0.1 -26,-0.2 -0.462 16.1-170.0 -61.8 135.8 30.0 67.3 36.1 99 91 A K + 0 0 70 -28,-2.7 33,-3.0 1,-0.2 2,-0.3 0.827 59.7 37.6-100.6 -41.1 27.7 65.1 34.0 100 92 A Y E -de 72 132A 3 -29,-1.3 -27,-2.5 31,-0.2 2,-0.4 -0.856 55.0-164.8-118.9 147.5 29.9 62.2 32.7 101 93 A V E -de 73 133A 0 31,-1.9 33,-2.7 -2,-0.3 2,-0.4 -0.966 15.7-143.2-132.9 118.9 32.7 60.2 34.1 102 94 A V E + e 0 134A 0 -29,-2.7 2,-0.3 -2,-0.4 33,-0.2 -0.641 27.4 178.1 -73.9 128.7 35.0 58.0 31.9 103 95 A I E + e 0 135A 0 31,-2.6 33,-2.9 -2,-0.4 -28,-0.1 -0.986 54.1 21.2-133.3 149.8 36.0 54.8 33.7 104 96 A G S S+ 0 0 0 -2,-0.3 5,-0.1 1,-0.2 -1,-0.1 0.661 72.2 175.9 73.9 19.2 38.0 51.8 32.6 105 97 A H >> - 0 0 8 -31,-0.3 4,-2.0 1,-0.1 3,-1.1 -0.301 42.2-115.6 -54.7 139.4 39.9 53.7 29.8 106 98 A S H 3> S+ 0 0 13 1,-0.3 4,-2.6 2,-0.2 5,-0.3 0.800 114.9 58.3 -45.7 -39.6 42.5 51.4 28.2 107 99 A E H 3> S+ 0 0 24 1,-0.2 4,-2.1 2,-0.2 5,-0.5 0.893 109.4 43.3 -62.3 -39.7 45.3 53.7 29.4 108 100 A R H <> S+ 0 0 8 -3,-1.1 6,-1.4 3,-0.2 4,-1.0 0.843 115.3 49.2 -74.0 -35.2 44.2 53.3 33.1 109 101 A R H < S+ 0 0 35 -4,-2.0 4,-0.3 4,-0.2 -2,-0.2 0.874 120.0 36.3 -68.9 -40.1 43.7 49.5 32.6 110 102 A E H < S+ 0 0 122 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.839 133.4 21.1 -85.8 -36.0 47.1 49.0 31.0 111 103 A L H < S+ 0 0 70 -4,-2.1 -3,-0.2 -5,-0.3 -2,-0.1 0.714 127.0 41.4-103.8 -24.3 49.3 51.5 32.9 112 104 A F S < S- 0 0 21 -4,-1.0 -3,-0.2 -5,-0.5 -4,-0.1 0.236 101.4-110.9-121.6 13.9 47.5 52.1 36.1 113 105 A H + 0 0 89 -4,-0.3 2,-0.4 1,-0.2 -4,-0.2 0.814 48.4 172.6 66.0 37.5 46.2 48.8 37.3 114 106 A E - 0 0 17 -6,-1.4 2,-0.3 -9,-0.1 -1,-0.2 -0.658 13.9-160.5 -73.9 128.0 42.4 49.3 36.9 115 107 A T > - 0 0 62 -2,-0.4 4,-2.3 1,-0.1 5,-0.2 -0.727 29.9-115.9-109.8 160.0 40.5 46.2 37.5 116 108 A D H > S+ 0 0 34 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.909 116.8 55.5 -53.5 -47.2 37.0 45.1 36.4 117 109 A E H > S+ 0 0 128 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.855 110.1 44.8 -56.2 -41.9 36.0 45.0 40.1 118 110 A E H > S+ 0 0 25 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.871 111.7 51.9 -73.2 -39.5 37.1 48.6 40.7 119 111 A I H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.915 109.1 51.9 -62.3 -43.0 35.4 49.8 37.4 120 112 A N H X S+ 0 0 30 -4,-2.8 4,-1.7 2,-0.2 -2,-0.2 0.931 110.0 47.8 -57.0 -47.8 32.2 48.1 38.6 121 113 A K H X S+ 0 0 89 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.895 110.3 52.8 -61.8 -40.2 32.4 49.9 41.9 122 114 A K H X S+ 0 0 4 -4,-2.3 4,-3.0 2,-0.2 5,-0.2 0.904 104.3 56.1 -61.6 -42.5 33.0 53.2 40.2 123 115 A A H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.917 109.6 45.8 -53.9 -48.6 29.9 52.8 38.0 124 116 A H H X S+ 0 0 51 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.903 113.4 49.4 -61.0 -43.7 27.8 52.4 41.1 125 117 A A H X S+ 0 0 2 -4,-2.1 4,-1.0 2,-0.2 -2,-0.2 0.901 109.4 51.7 -65.0 -42.6 29.4 55.5 42.7 126 118 A I H <>S+ 0 0 0 -4,-3.0 5,-2.4 1,-0.2 3,-0.5 0.927 111.9 46.2 -59.6 -48.2 29.0 57.6 39.6 127 119 A F H ><5S+ 0 0 29 -4,-2.0 3,-1.6 1,-0.2 -1,-0.2 0.853 107.2 55.7 -65.2 -38.2 25.2 56.8 39.4 128 120 A K H 3<5S+ 0 0 147 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.710 106.6 52.2 -73.5 -17.6 24.5 57.4 43.1 129 121 A H T 3<5S- 0 0 48 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.214 124.6-104.0 -98.6 14.8 25.9 60.9 42.9 130 122 A G T < 5S+ 0 0 70 -3,-1.6 2,-0.2 1,-0.3 -3,-0.2 0.719 81.5 118.9 77.4 24.5 23.7 61.7 39.9 131 123 A M < - 0 0 3 -5,-2.4 -1,-0.3 -6,-0.2 -31,-0.2 -0.641 59.6-119.7-112.0 172.8 26.3 61.4 37.1 132 124 A T E -e 100 0A 26 -33,-3.0 -31,-1.9 -2,-0.2 2,-0.2 -0.968 22.4-133.6-119.2 126.6 26.5 59.1 34.0 133 125 A P E -e 101 0A 0 0, 0.0 40,-2.1 0, 0.0 2,-0.6 -0.498 4.7-155.1 -75.7 143.4 29.4 56.6 33.4 134 126 A I E -ef 102 173A 0 -33,-2.7 -31,-2.6 -2,-0.2 2,-0.6 -0.945 23.6-158.8-109.5 100.4 31.2 56.2 30.1 135 127 A I E -ef 103 174A 2 38,-3.2 40,-2.7 -2,-0.6 2,-0.4 -0.742 1.0-150.3 -91.5 120.3 32.5 52.7 30.5 136 128 A C E + f 0 175A 0 -33,-2.9 2,-0.3 -2,-0.6 40,-0.2 -0.738 20.9 168.3 -93.3 132.2 35.5 51.8 28.3 137 129 A V E + f 0 176A 1 38,-2.6 40,-3.2 -2,-0.4 2,-0.2 -0.901 7.6 138.0-132.5 164.3 36.1 48.2 27.1 138 130 A G - 0 0 2 -2,-0.3 2,-0.3 38,-0.2 38,-0.0 -0.726 38.7-115.7 161.5 149.4 38.4 46.7 24.5 139 131 A E - 0 0 0 38,-0.3 41,-1.7 -2,-0.2 40,-0.2 -0.739 27.3-124.6-104.5 150.5 40.7 43.8 23.7 140 132 A T > - 0 0 23 -2,-0.3 4,-2.2 39,-0.2 40,-0.3 -0.318 30.3-103.8 -83.7 170.9 44.5 43.9 23.0 141 133 A D H > S+ 0 0 61 38,-0.3 4,-2.1 1,-0.2 5,-0.2 0.909 123.4 53.9 -60.7 -43.7 46.3 42.6 19.9 142 134 A E H > S+ 0 0 149 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.849 111.1 47.7 -57.4 -36.5 47.5 39.5 21.9 143 135 A E H 4>S+ 0 0 61 2,-0.2 5,-2.2 1,-0.2 6,-0.2 0.859 109.6 49.7 -76.0 -38.9 43.9 38.9 22.8 144 136 A R H ><5S+ 0 0 61 -4,-2.2 3,-1.4 4,-0.2 5,-0.3 0.894 108.2 54.1 -67.5 -38.4 42.3 39.2 19.4 145 137 A E H 3<5S+ 0 0 144 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.729 103.5 54.8 -72.5 -23.8 44.9 36.9 17.8 146 138 A S T 3<5S- 0 0 71 -4,-0.7 -1,-0.3 -5,-0.2 -2,-0.2 0.177 122.1-105.6 -94.5 19.1 44.2 34.0 20.2 147 139 A G T < 5S+ 0 0 61 -3,-1.4 4,-0.2 1,-0.1 3,-0.2 0.667 89.2 119.0 73.6 20.5 40.5 34.2 19.3 148 140 A K >< + 0 0 102 -5,-2.2 4,-2.7 1,-0.2 5,-0.3 0.221 28.4 110.1-105.7 12.9 39.5 35.9 22.6 149 141 A A H > S+ 0 0 13 -5,-0.3 4,-2.2 -6,-0.2 5,-0.2 0.941 88.2 36.7 -54.3 -55.1 38.1 39.2 21.3 150 142 A N H > S+ 0 0 76 -3,-0.2 4,-2.5 2,-0.2 5,-0.3 0.874 115.0 56.2 -65.9 -41.6 34.5 38.4 22.3 151 143 A D H > S+ 0 0 100 -4,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.926 113.8 39.4 -55.3 -49.3 35.5 36.5 25.4 152 144 A V H X S+ 0 0 29 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.962 118.3 44.8 -69.0 -53.9 37.4 39.5 26.9 153 145 A V H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.3 5,-0.2 0.926 114.3 51.5 -58.7 -45.6 35.0 42.3 25.8 154 146 A G H X S+ 0 0 7 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.2 0.937 111.8 45.9 -53.2 -52.5 32.0 40.2 27.0 155 147 A E H X S+ 0 0 105 -4,-2.0 4,-2.5 -5,-0.3 5,-0.3 0.890 111.3 53.1 -58.7 -43.2 33.6 39.6 30.4 156 148 A Q H X S+ 0 0 17 -4,-2.8 4,-1.7 2,-0.2 -1,-0.2 0.870 112.3 44.0 -61.8 -41.7 34.5 43.3 30.7 157 149 A V H X S+ 0 0 2 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.964 114.0 49.4 -67.7 -53.1 31.0 44.5 30.0 158 150 A K H X S+ 0 0 124 -4,-2.6 4,-0.5 1,-0.2 -2,-0.2 0.890 115.7 42.9 -53.7 -47.2 29.3 41.9 32.3 159 151 A K H < S+ 0 0 105 -4,-2.5 3,-0.4 1,-0.2 -1,-0.2 0.851 112.8 52.1 -70.6 -36.7 31.7 42.7 35.2 160 152 A A H < S+ 0 0 0 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.819 117.0 38.3 -69.5 -32.6 31.5 46.5 34.8 161 153 A V H >< S+ 0 0 6 -4,-2.0 3,-2.4 -5,-0.1 -1,-0.2 0.396 81.5 137.7-101.8 3.4 27.7 46.6 34.8 162 154 A A T 3< S+ 0 0 46 -4,-0.5 3,-0.1 -3,-0.4 -3,-0.1 -0.234 77.6 9.1 -53.4 126.8 27.1 43.9 37.4 163 155 A G T 3 S+ 0 0 73 1,-0.3 -1,-0.3 -39,-0.0 2,-0.2 0.432 91.1 139.1 82.6 -1.9 24.3 45.0 39.8 164 156 A L < - 0 0 16 -3,-2.4 -1,-0.3 1,-0.1 -3,-0.1 -0.538 53.6-118.5 -73.3 142.4 23.2 48.0 37.7 165 157 A S > - 0 0 56 -2,-0.2 4,-2.5 -3,-0.1 5,-0.2 -0.314 24.9-106.8 -74.6 163.8 19.5 48.5 37.5 166 158 A E H > S+ 0 0 93 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.896 122.8 52.3 -58.4 -41.8 17.6 48.4 34.1 167 159 A D H > S+ 0 0 117 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.880 111.1 48.2 -62.1 -36.6 17.2 52.3 34.2 168 160 A Q H > S+ 0 0 50 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.883 108.2 53.4 -70.1 -39.5 21.0 52.6 34.8 169 161 A L H < S+ 0 0 8 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.853 108.8 50.7 -63.5 -35.0 21.8 50.2 31.9 170 162 A K H < S+ 0 0 64 -4,-2.0 47,-0.3 -5,-0.2 -1,-0.2 0.804 116.0 41.6 -68.0 -30.9 19.6 52.3 29.6 171 163 A S H < S+ 0 0 58 -4,-1.1 -2,-0.2 -5,-0.2 -1,-0.2 0.752 92.7 100.2 -91.9 -27.8 21.5 55.5 30.8 172 164 A V < - 0 0 0 -4,-2.5 45,-1.0 -5,-0.1 2,-0.4 -0.149 62.3-143.2 -57.8 151.2 25.0 54.1 30.8 173 165 A V E -fg 134 217A 0 -40,-2.1 -38,-3.2 43,-0.1 2,-0.5 -0.976 11.2-161.2-114.5 133.3 27.4 54.8 27.9 174 166 A I E -fg 135 218A 2 43,-2.5 45,-2.9 -2,-0.4 2,-0.5 -0.974 1.0-160.3-117.5 130.3 29.8 52.1 26.7 175 167 A A E -fg 136 219A 0 -40,-2.7 -38,-2.6 -2,-0.5 2,-0.6 -0.939 7.8-148.6-110.5 122.5 32.9 53.0 24.6 176 168 A Y E -fg 137 220A 0 43,-2.6 45,-3.5 -2,-0.5 46,-0.2 -0.806 11.3-162.7 -91.5 123.3 34.6 50.3 22.6 177 169 A E - 0 0 6 -40,-3.2 2,-2.2 -2,-0.6 3,-0.3 -0.904 15.1-147.0-107.2 117.2 38.4 50.7 22.2 178 170 A P >> + 0 0 3 0, 0.0 3,-2.1 0, 0.0 4,-1.1 -0.394 33.0 161.2 -79.2 67.4 40.2 48.8 19.4 179 171 A I G >4 + 0 0 30 -2,-2.2 3,-0.6 1,-0.3 -38,-0.3 0.861 69.1 67.7 -51.1 -39.6 43.5 48.4 21.4 180 172 A W G 34 S+ 0 0 17 -41,-1.7 6,-0.4 -40,-0.3 -1,-0.3 0.693 103.2 44.2 -54.7 -25.8 44.4 45.5 19.1 181 173 A A G <4 S+ 0 0 0 -3,-2.1 2,-0.6 4,-0.1 -1,-0.3 0.709 89.8 95.6 -90.8 -25.8 44.7 48.1 16.2 182 174 A I S << S- 0 0 104 -4,-1.1 2,-0.4 -3,-0.6 -41,-0.2 -0.563 107.6 -18.2 -74.1 115.6 46.6 50.7 18.3 183 175 A G S S+ 0 0 55 -2,-0.6 3,-0.4 1,-0.2 -3,-0.0 -0.761 113.5 82.3 83.9-138.8 50.3 50.0 17.4 184 176 A T S S- 0 0 72 -2,-0.4 -1,-0.2 1,-0.2 -3,-0.1 0.193 114.4 -52.8 43.5-158.2 50.6 46.5 15.9 185 177 A G S S- 0 0 80 1,-0.3 -1,-0.2 -5,-0.2 -4,-0.1 0.433 93.4-173.6 -85.1 1.0 49.9 45.9 12.2 186 178 A K + 0 0 109 -3,-0.4 -1,-0.3 -6,-0.4 -4,-0.1 -0.261 35.3 160.2 60.6-160.1 46.5 47.6 12.7 187 179 A S + 0 0 69 -3,-0.1 2,-0.6 -6,-0.1 -1,-0.1 0.693 5.9 175.0-131.8 153.7 43.8 48.2 11.3 188 180 A S - 0 0 9 -7,-0.1 2,-0.1 -10,-0.1 35,-0.1 -0.902 16.0-175.4-112.6 110.9 40.3 49.2 12.6 189 181 A T > - 0 0 62 -2,-0.6 4,-2.4 1,-0.1 5,-0.1 -0.331 43.6-101.8 -88.1 175.1 37.7 50.1 10.0 190 182 A S H > S+ 0 0 17 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.793 125.4 55.8 -67.0 -28.5 34.1 51.3 10.6 191 183 A E H > S+ 0 0 146 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.923 109.0 45.5 -67.2 -46.8 32.9 47.8 9.8 192 184 A D H > S+ 0 0 33 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.924 113.1 52.1 -57.2 -47.8 35.2 46.4 12.5 193 185 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.925 110.5 46.5 -54.5 -51.4 34.0 49.1 14.8 194 186 A N H X S+ 0 0 24 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.848 106.5 58.8 -62.6 -38.4 30.3 48.3 14.2 195 187 A E H X S+ 0 0 111 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.910 112.3 39.5 -57.7 -45.1 30.9 44.5 14.7 196 188 A M H X S+ 0 0 2 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.874 113.6 52.9 -75.9 -40.3 32.2 45.0 18.2 197 189 A C H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.888 110.4 49.7 -59.7 -40.7 29.7 47.7 19.2 198 190 A A H X S+ 0 0 31 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.848 108.9 52.1 -66.0 -37.8 26.9 45.4 18.0 199 191 A F H X S+ 0 0 52 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.872 107.7 52.0 -64.6 -39.6 28.5 42.6 20.1 200 192 A V H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.924 110.4 48.8 -60.6 -44.7 28.5 45.0 23.1 201 193 A R H X S+ 0 0 18 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.907 110.2 49.9 -61.8 -46.0 24.8 45.7 22.6 202 194 A Q H X S+ 0 0 102 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.871 108.3 54.2 -60.2 -37.9 23.9 42.0 22.3 203 195 A T H X S+ 0 0 5 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.921 109.0 48.0 -62.4 -44.1 25.8 41.4 25.6 204 196 A I H X S+ 0 0 0 -4,-2.0 4,-0.9 1,-0.2 5,-0.2 0.908 110.3 52.7 -60.3 -44.2 23.7 44.0 27.2 205 197 A A H >< S+ 0 0 14 -4,-2.4 3,-0.5 1,-0.2 -2,-0.2 0.897 107.1 52.8 -58.7 -43.2 20.6 42.4 25.8 206 198 A D H 3< S+ 0 0 112 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.897 111.3 44.2 -59.9 -45.0 21.6 39.0 27.2 207 199 A L H 3< S- 0 0 69 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.547 138.6 -3.3 -82.9 -5.7 22.0 40.2 30.8 208 200 A S S << S- 0 0 34 -4,-0.9 2,-0.3 -3,-0.5 -3,-0.2 0.087 104.2 -64.6-140.7-100.9 18.8 42.3 30.7 209 201 A S > - 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0 0 17 -3,-2.2 -1,-0.3 1,-0.1 -3,-0.1 -0.438 53.5-119.2 -67.9 142.8 69.1 64.4 40.4 419 157 B S > - 0 0 55 -2,-0.1 4,-2.1 -3,-0.1 5,-0.1 -0.300 25.6-106.1 -74.1 167.0 71.7 67.2 40.6 420 158 B E H > S+ 0 0 104 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.892 123.3 52.2 -61.8 -41.3 73.3 68.2 44.0 421 159 B D H > S+ 0 0 116 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.848 110.7 49.0 -61.7 -34.8 71.2 71.4 44.0 422 160 B Q H > S+ 0 0 52 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.857 107.9 53.3 -72.0 -36.8 68.1 69.3 43.4 423 161 B L H < S+ 0 0 8 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.815 108.8 50.6 -67.2 -32.3 69.1 66.9 46.2 424 162 B K H < S+ 0 0 90 -4,-1.7 47,-0.3 1,-0.2 -1,-0.2 0.804 115.4 42.5 -70.3 -33.0 69.4 69.9 48.6 425 163 B S H < S+ 0 0 60 -4,-1.1 -2,-0.2 -5,-0.1 -1,-0.2 0.787 93.0 100.3 -85.9 -29.6 65.9 71.2 47.5 426 164 B V < - 0 0 0 -4,-2.3 45,-1.1 -5,-0.1 2,-0.4 -0.117 61.2-145.3 -59.0 151.4 64.1 67.8 47.6 427 165 B V E -pq 388 471D 0 -40,-2.0 -38,-2.9 43,-0.2 2,-0.5 -0.972 10.4-161.6-115.4 135.2 61.9 66.9 50.5 428 166 B I E -pq 389 472D 2 43,-2.3 45,-2.9 -2,-0.4 2,-0.5 -0.980 1.4-159.2-118.5 130.2 61.7 63.2 51.6 429 167 B A E -pq 390 473D 0 -40,-2.9 -38,-2.7 -2,-0.5 2,-0.6 -0.936 7.4-149.0-107.9 123.4 58.9 61.9 53.8 430 168 B Y E -pq 391 474D 0 43,-2.8 45,-3.5 -2,-0.5 -38,-0.2 -0.825 11.1-162.8 -91.2 122.6 59.4 58.7 55.8 431 169 B E - 0 0 5 -40,-3.3 2,-2.3 -2,-0.6 3,-0.2 -0.911 14.7-149.8-106.5 113.3 56.1 56.7 56.3 432 170 B P >> + 0 0 0 0, 0.0 4,-1.7 0, 0.0 3,-1.4 -0.516 28.8 167.3 -76.7 76.1 56.2 54.0 59.0 433 171 B I H 3> + 0 0 31 -2,-2.3 4,-1.6 -40,-0.4 5,-0.5 0.837 68.9 67.9 -60.6 -33.8 53.6 51.9 57.1 434 172 B W H 34 S+ 0 0 11 -41,-1.3 4,-0.3 -3,-0.2 6,-0.3 0.772 111.4 31.7 -54.9 -32.4 54.4 49.0 59.5 435 173 B A H <4 S+ 0 0 12 -3,-1.4 5,-0.3 2,-0.1 -1,-0.2 0.696 110.3 67.5 -97.6 -25.9 52.8 51.0 62.3 436 174 B I H < S+ 0 0 88 -4,-1.7 -2,-0.2 1,-0.2 -3,-0.1 0.950 112.1 26.3 -64.7 -55.4 50.1 52.9 60.3 437 175 B G S < S+ 0 0 72 -4,-1.6 -1,-0.2 2,-0.0 -3,-0.1 0.922 120.6 57.9 -73.1 -45.3 47.9 49.9 59.2 438 176 B T S S- 0 0 59 -5,-0.5 -3,-0.0 -4,-0.3 -4,-0.0 -0.003 96.3 -98.1 -81.8-177.6 48.7 47.6 62.1 439 177 B G S S+ 0 0 89 2,-0.1 2,-0.3 -5,-0.0 -4,-0.1 -0.045 83.3 115.8 -93.8 29.9 48.4 47.9 65.9 440 178 B K - 0 0 70 -6,-0.3 2,-0.6 -5,-0.3 -2,-0.0 -0.715 61.0-132.2 -95.2 151.9 52.1 48.9 66.3 441 179 B S - 0 0 104 -2,-0.3 2,-0.7 -7,-0.0 -5,-0.1 -0.924 8.0-156.2-109.2 119.2 53.2 52.2 67.7 442 180 B S - 0 0 15 -2,-0.6 2,-0.1 -10,-0.1 35,-0.1 -0.872 21.2-158.1 -86.3 116.6 55.9 54.2 65.9 443 181 B T > - 0 0 64 -2,-0.7 4,-2.4 1,-0.1 5,-0.1 -0.311 32.3-102.7 -87.3 175.8 57.5 56.5 68.5 444 182 B S H > S+ 0 0 16 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.795 125.1 55.7 -68.8 -28.0 59.4 59.7 67.9 445 183 B E H > S+ 0 0 145 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.908 108.9 45.9 -67.3 -44.0 62.6 57.7 68.6 446 184 B D H > S+ 0 0 35 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.932 112.6 52.2 -59.8 -48.7 61.6 55.2 65.8 447 185 B A H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.919 110.6 46.3 -52.3 -51.6 60.8 58.2 63.5 448 186 B N H X S+ 0 0 26 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.835 106.3 58.8 -65.7 -36.3 64.2 59.8 64.1 449 187 B E H X S+ 0 0 118 -4,-1.9 4,-1.3 2,-0.2 -1,-0.2 0.902 112.5 39.6 -57.5 -44.2 66.1 56.6 63.5 450 188 B M H X S+ 0 0 3 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.886 113.5 52.4 -77.5 -41.0 64.7 56.2 60.0 451 189 B C H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.884 110.4 50.5 -59.9 -40.1 64.8 59.9 59.1 452 190 B A H X S+ 0 0 30 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.848 108.6 51.7 -64.1 -37.8 68.5 59.8 60.1 453 191 B F H X S+ 0 0 51 -4,-1.3 4,-1.9 2,-0.2 -2,-0.2 0.856 107.7 52.5 -67.5 -37.2 69.0 56.7 57.9 454 192 B V H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.928 110.2 48.5 -60.7 -46.5 67.4 58.5 55.0 455 193 B R H X S+ 0 0 16 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.915 110.4 50.2 -59.8 -46.1 69.9 61.4 55.5 456 194 B Q H X S+ 0 0 103 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.863 108.2 54.1 -62.1 -36.5 72.9 59.1 55.7 457 195 B T H X S+ 0 0 6 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.911 109.5 47.5 -62.6 -43.7 71.7 57.5 52.4 458 196 B I H X S+ 0 0 0 -4,-2.0 4,-1.0 1,-0.2 -2,-0.2 0.910 110.4 52.5 -61.6 -44.3 71.6 60.9 50.8 459 197 B A H >< S+ 0 0 14 -4,-2.5 3,-0.5 1,-0.2 -2,-0.2 0.903 107.4 53.0 -58.8 -43.0 75.1 61.6 52.2 460 198 B D H 3< S+ 0 0 116 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.892 111.6 43.4 -60.3 -45.1 76.4 58.4 50.7 461 199 B L H 3< S- 0 0 71 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.555 138.4 -0.4 -82.3 -7.4 75.2 59.1 47.1 462 200 B S S << S- 0 0 33 -4,-1.0 2,-0.3 -3,-0.5 -3,-0.2 0.108 107.8 -56.9-137.5-102.8 76.3 62.7 47.2 463 201 B S >> - 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0 0 5 -2,-0.4 22,-0.2 -3,-0.1 32,-0.1 -0.982 12.1-157.4-128.6 119.4 51.2 63.2 64.2 479 217 B K >> - 0 0 117 -2,-0.4 3,-2.8 1,-0.1 4,-1.1 -0.711 31.3-112.4 -95.7 146.6 48.7 64.9 66.6 480 218 B P T 34 S+ 0 0 16 0, 0.0 4,-0.2 0, 0.0 33,-0.1 0.728 118.5 48.7 -42.0 -30.6 48.5 68.7 67.2 481 219 B N T 34 S+ 0 0 145 1,-0.2 4,-0.0 2,-0.1 29,-0.0 0.256 113.4 43.3-104.6 12.2 49.7 68.0 70.8 482 220 B N T X> S+ 0 0 44 -3,-2.8 4,-1.3 2,-0.1 3,-0.7 0.357 81.8 98.3-125.3 0.6 52.7 65.8 70.0 483 221 B I H 3X S+ 0 0 3 -4,-1.1 4,-2.7 1,-0.2 3,-0.2 0.868 79.2 58.8 -54.9 -41.3 54.2 67.7 67.0 484 222 B K H 3> S+ 0 0 135 1,-0.2 4,-1.7 -4,-0.2 -1,-0.2 0.838 101.9 53.0 -58.8 -39.9 56.8 69.4 69.3 485 223 B E H <4 S+ 0 0 122 -3,-0.7 4,-0.4 2,-0.2 -1,-0.2 0.857 113.3 43.7 -66.9 -37.3 58.3 66.0 70.4 486 224 B Y H >< S+ 0 0 20 -4,-1.3 3,-1.0 -3,-0.2 -2,-0.2 0.894 113.8 49.8 -71.8 -42.4 58.8 65.0 66.7 487 225 B M H 3< S+ 0 0 30 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.773 99.3 67.8 -67.8 -28.0 60.1 68.4 65.6 488 226 B A T 3< S+ 0 0 77 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.720 78.5 100.6 -64.9 -22.2 62.6 68.3 68.5 489 227 B Q S X S- 0 0 61 -3,-1.0 3,-0.9 -4,-0.4 -44,-0.0 -0.437 77.6-131.1 -71.1 140.9 64.5 65.4 66.9 490 228 B T T 3 S+ 0 0 104 1,-0.3 -1,-0.1 -2,-0.1 -3,-0.0 0.711 102.7 39.9 -70.4 -24.5 67.6 66.5 65.1 491 229 B D T 3 S+ 0 0 33 -20,-0.0 2,-0.6 2,-0.0 -1,-0.3 0.395 95.4 90.3-105.8 -0.9 67.0 64.7 61.8 492 230 B I < + 0 0 4 -3,-0.9 -19,-0.2 -6,-0.2 3,-0.1 -0.886 45.1 172.3 -97.7 118.3 63.2 65.4 61.6 493 231 B D - 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