==== 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(INTRAMOLECULAR OXIDOREDUCTASE)30-SEP-93 1DXI . COMPND 2 MOLECULE: D-XYLOSE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES MURINUS; . AUTHOR H.RASMUSSEN,T.LA COUR,J.NYBORG,M.SCHULEIN . 776 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30113.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 531 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 63 8.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 1.4 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 55 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 102 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 253 32.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 2.3 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 6 3 1 4 2 2 0 2 0 2 0 0 0 0 2 1 1 3 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 1 11 1 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 PARALLEL BRIDGES PER LADDER . 4 1 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 . 1 0 0 1 1 0 0 0 1 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 0 237 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -84.2 66.2 55.1 4.8 2 2 A S - 0 0 92 2,-0.0 2,-0.6 306,-0.0 306,-0.0 -0.613 360.0-144.0 177.6 125.6 65.8 52.1 7.2 3 3 A F - 0 0 50 -2,-0.3 308,-0.1 305,-0.0 309,-0.1 -0.653 17.5-157.8-101.5 59.7 63.8 51.9 10.4 4 4 A Q - 0 0 138 -2,-0.6 2,-0.1 1,-0.1 43,-0.1 -0.135 12.8-132.5 -56.0 126.0 65.6 49.8 13.1 5 5 A P - 0 0 14 0, 0.0 -1,-0.1 0, 0.0 43,-0.1 -0.445 20.8-167.8 -77.8 157.0 63.5 48.3 15.9 6 6 A T > - 0 0 82 -2,-0.1 3,-2.5 0, 0.0 4,-0.3 -0.971 40.8 -90.0-143.4 153.0 64.3 48.4 19.6 7 7 A P T 3 S+ 0 0 78 0, 0.0 3,-0.2 0, 0.0 41,-0.0 0.518 117.2 67.4 -37.5 -22.6 63.0 46.8 22.8 8 8 A E T 3 S+ 0 0 158 1,-0.2 40,-0.1 2,-0.1 41,-0.0 0.281 81.3 78.0 -93.4 14.5 60.5 49.5 23.4 9 9 A D S < S- 0 0 28 -3,-2.5 -1,-0.2 38,-0.2 3,-0.1 0.903 91.6-142.6 -86.0 -35.2 58.6 48.4 20.4 10 10 A R + 0 0 70 -4,-0.3 274,-3.4 1,-0.3 2,-0.6 0.841 37.4 167.1 76.3 30.3 57.2 45.5 22.5 11 11 A F E -a 284 0A 1 36,-0.2 38,-2.4 272,-0.2 39,-0.9 -0.796 11.3-174.6 -82.1 118.1 57.5 43.3 19.4 12 12 A T E -ab 285 50A 0 272,-1.8 274,-2.5 -2,-0.6 2,-0.3 -0.804 11.8-159.1-112.6 160.7 57.0 39.6 20.3 13 13 A F E -ab 286 51A 1 37,-0.6 39,-1.6 -2,-0.3 274,-0.1 -0.998 20.1-123.9-140.0 138.0 57.3 36.4 18.3 14 14 A G E >> - b 0 52A 0 272,-1.1 3,-2.2 -2,-0.3 4,-0.6 -0.517 23.6-128.0 -75.7 148.5 55.9 32.9 18.9 15 15 A L H 3> S+ 0 0 10 37,-1.4 4,-0.8 1,-0.3 -1,-0.2 0.776 114.1 59.8 -64.1 -25.9 58.6 30.2 19.0 16 16 A W H 34 S+ 0 0 42 36,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.572 95.1 70.9 -79.8 -5.9 56.4 28.5 16.4 17 17 A T H X4 S+ 0 0 0 -3,-2.2 3,-2.7 2,-0.2 -2,-0.2 0.942 111.3 16.9 -71.1 -89.3 56.8 31.5 14.1 18 18 A V H 3< S+ 0 0 0 -4,-0.6 -2,-0.1 1,-0.3 -3,-0.1 0.851 125.2 64.8 -55.2 -23.5 60.3 31.6 12.8 19 19 A G T 3< + 0 0 19 -4,-0.8 -1,-0.3 -5,-0.3 15,-0.3 0.342 69.6 121.9 -84.1 4.7 60.5 28.0 13.8 20 20 A W < - 0 0 58 -3,-2.7 279,-0.1 1,-0.1 -3,-0.0 -0.494 47.5-159.1 -66.9 148.3 57.8 26.7 11.4 21 21 A Q - 0 0 72 -2,-0.1 9,-1.6 2,-0.1 10,-1.5 0.592 41.2 -95.2-109.6 -21.8 59.3 24.0 9.2 22 22 A G + 0 0 0 7,-0.3 2,-0.9 1,-0.3 5,-0.2 0.237 64.4 150.4 129.2 -10.7 57.1 23.7 6.1 23 23 A R + 0 0 143 8,-0.1 -1,-0.3 2,-0.1 6,-0.2 -0.449 25.2 172.8 -59.5 91.5 54.7 20.9 6.9 24 24 A D - 0 0 51 -2,-0.9 -3,-0.0 4,-0.6 -1,-0.0 -0.160 52.0 -91.9 -90.7-173.2 51.8 22.2 4.9 25 25 A P S S+ 0 0 99 0, 0.0 -2,-0.1 0, 0.0 3,-0.0 0.428 125.7 24.6 -77.9 -1.0 48.6 20.2 4.3 26 26 A F S S+ 0 0 193 2,-0.1 2,-0.2 0, 0.0 -3,-0.1 0.354 117.1 56.2-141.5 -7.0 50.1 18.8 1.1 27 27 A G S S- 0 0 15 -5,-0.2 2,-0.1 1,-0.2 -5,-0.0 -0.703 74.6-110.6-120.0-179.2 54.0 19.0 1.4 28 28 A D - 0 0 121 -2,-0.2 -4,-0.6 -5,-0.2 2,-0.5 -0.144 54.8 -68.7 -92.4-167.5 56.7 17.8 3.8 29 29 A A - 0 0 46 -6,-0.2 -7,-0.3 1,-0.1 -1,-0.1 -0.800 37.4-166.8 -96.6 130.0 58.8 20.0 6.0 30 30 A T + 0 0 59 -9,-1.6 -8,-0.2 -2,-0.5 -1,-0.1 0.349 65.6 54.7 -94.7 3.2 61.2 22.2 4.2 31 31 A R S S- 0 0 13 -10,-1.5 -8,-0.1 -12,-0.1 264,-0.1 -0.991 80.7-110.2-142.6 153.5 63.3 23.2 7.2 32 32 A P - 0 0 84 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 -0.366 49.8-100.2 -73.1 151.2 65.3 21.8 10.1 33 33 A A - 0 0 72 1,-0.0 2,-0.3 -12,-0.0 -13,-0.1 -0.729 40.4-145.2 -73.8 129.1 63.6 22.3 13.5 34 34 A L - 0 0 33 -2,-0.4 -15,-0.0 -15,-0.3 -1,-0.0 -0.684 15.2-120.0 -93.5 151.5 65.4 25.3 15.1 35 35 A D >> - 0 0 83 -2,-0.3 4,-2.8 1,-0.1 3,-0.8 -0.783 14.2-117.9-102.2 148.2 65.8 25.4 18.9 36 36 A P H 3> S+ 0 0 30 0, 0.0 4,-4.0 0, 0.0 5,-0.3 0.716 115.4 53.9 -36.3 -56.1 64.6 27.8 21.4 37 37 A V H 3> S+ 0 0 40 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.930 115.2 43.3 -56.4 -39.2 68.0 28.9 22.5 38 38 A E H X> S+ 0 0 82 -3,-0.8 4,-1.9 1,-0.2 3,-0.8 0.994 114.0 49.3 -69.8 -52.6 68.5 29.6 18.9 39 39 A T H 3X S+ 0 0 2 -4,-2.8 4,-1.6 1,-0.3 3,-0.2 0.852 112.8 46.3 -46.4 -56.3 65.2 31.2 18.4 40 40 A V H 3X S+ 0 0 0 -4,-4.0 4,-1.4 1,-0.2 -1,-0.3 0.770 110.9 55.6 -54.1 -41.7 65.5 33.6 21.4 41 41 A Q H S+ 0 0 0 -4,-1.6 5,-3.1 -5,-0.3 4,-1.8 0.892 104.2 54.7 -62.9 -43.6 65.2 37.5 17.8 44 44 A A H <5S+ 0 0 35 -4,-1.4 3,-0.3 1,-0.2 -2,-0.2 0.934 112.5 43.3 -55.8 -42.8 67.2 39.4 20.3 45 45 A E H <5S+ 0 0 127 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.863 105.7 60.6 -70.9 -38.6 69.5 40.4 17.5 46 46 A L H <5S- 0 0 21 -4,-2.2 -1,-0.2 1,-0.1 -2,-0.2 0.909 126.7 -99.3 -60.6 -28.5 66.7 41.2 15.1 47 47 A G T <5 + 0 0 8 -4,-1.8 -36,-0.2 -3,-0.3 -38,-0.2 0.402 68.4 159.0 120.1 20.7 65.5 43.8 17.7 48 48 A A < - 0 0 7 -5,-3.1 -36,-0.2 -6,-0.1 -1,-0.1 -0.393 31.2-161.3 -81.2 151.5 62.8 41.8 19.5 49 49 A Y + 0 0 62 -38,-2.4 36,-1.3 1,-0.2 2,-0.2 0.944 65.9 4.3 -94.2 -61.4 61.4 42.4 23.0 50 50 A G E -bc 12 85A 0 -39,-0.9 -37,-0.6 34,-0.2 2,-0.3 -0.679 56.2-138.1-121.0-174.4 59.6 39.2 24.1 51 51 A V E -b 13 0A 0 34,-3.2 37,-0.4 -39,-0.2 -37,-0.2 -0.976 16.0-157.4-138.3 136.5 59.0 35.7 23.0 52 52 A T E -b 14 0A 0 -39,-1.6 -37,-1.4 -2,-0.3 2,-0.3 -0.524 16.6-171.0-110.6 172.2 55.6 33.9 23.4 53 53 A F E -f 89 0B 0 35,-0.9 37,-2.4 -39,-0.2 2,-0.3 -0.967 28.7-134.0-157.5 169.9 55.0 30.1 23.5 54 54 A H E >> -f 90 0B 18 -2,-0.3 3,-1.1 1,-0.2 4,-0.9 -0.873 38.5-117.0-112.0 156.1 52.9 26.9 23.5 55 55 A D H >> S+ 0 0 14 35,-0.6 4,-2.7 -2,-0.3 3,-2.3 0.995 117.8 43.9 -55.0 -70.7 53.6 24.1 26.0 56 56 A D H 34 S+ 0 0 35 1,-0.3 -1,-0.3 2,-0.2 5,-0.3 0.384 104.2 66.5 -56.0 0.2 54.5 21.6 23.3 57 57 A D H <4 S+ 0 0 48 -3,-1.1 -1,-0.3 3,-0.1 -2,-0.2 0.703 119.7 21.1 -84.4 -36.9 56.6 24.3 21.5 58 58 A L H << S+ 0 0 10 -3,-2.3 -2,-0.2 -4,-0.9 -3,-0.1 0.820 128.7 43.9 -91.6 -63.4 59.0 24.3 24.4 59 59 A I S < S- 0 0 14 -4,-2.7 -1,-0.2 -5,-0.2 4,-0.1 -0.854 90.2-123.7-100.2 103.3 58.4 21.0 26.2 60 60 A P - 0 0 61 0, 0.0 3,-0.2 0, 0.0 -3,-0.1 0.030 37.1 -94.7 -39.9 144.6 58.2 18.1 23.7 61 61 A F S S+ 0 0 80 -5,-0.3 2,-1.5 1,-0.2 -4,-0.0 0.696 110.7 22.9 -35.4 -98.0 55.0 16.1 24.0 62 62 A G S S+ 0 0 69 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.769 87.0 145.0 -74.3 94.1 55.5 13.1 26.3 63 63 A S - 0 0 30 -2,-1.5 -4,-0.0 -3,-0.2 2,-0.0 -0.655 44.9-116.4-121.3-178.8 58.6 14.4 28.2 64 64 A S > - 0 0 52 -2,-0.3 4,-1.0 1,-0.1 -1,-0.2 -0.039 32.5 -92.3-101.5-162.6 59.1 13.6 31.8 65 65 A D H > S+ 0 0 133 2,-0.1 4,-2.2 3,-0.1 -1,-0.1 0.796 130.3 36.4 -85.1 -25.8 59.3 15.8 34.9 66 66 A T H > S+ 0 0 108 2,-0.2 4,-2.9 3,-0.2 5,-0.2 0.828 113.5 52.3 -86.1 -48.9 63.1 16.1 34.4 67 67 A E H >> S+ 0 0 113 2,-0.2 4,-1.7 3,-0.1 3,-0.6 0.996 113.4 51.9 -56.1 -45.2 63.1 16.2 30.6 68 68 A R H >X S+ 0 0 67 -4,-1.0 3,-1.8 1,-0.3 4,-1.5 0.802 109.3 47.3 -41.6 -75.9 60.6 19.0 31.4 69 69 A E H 3X S+ 0 0 98 -4,-2.2 4,-3.5 1,-0.3 5,-0.3 0.745 106.1 55.0 -34.2 -54.6 62.9 20.8 33.8 70 70 A S H < S+ 0 0 4 -4,-2.9 3,-0.6 1,-0.2 4,-0.4 0.979 116.0 49.8 -59.7 -52.3 64.8 28.4 28.0 76 76 A R H 3X S+ 0 0 121 -4,-2.5 4,-1.1 1,-0.3 -1,-0.2 0.614 104.9 54.3 -55.3 -43.3 65.2 30.5 31.1 77 77 A Q H 3X S+ 0 0 120 -4,-2.0 4,-2.4 1,-0.2 -1,-0.3 0.797 109.9 49.1 -66.5 -37.6 69.0 30.9 31.0 78 78 A A H >>S+ 0 0 20 -4,-0.4 3,-2.8 2,-0.2 4,-2.4 0.913 114.4 33.1 -70.9 -66.4 66.0 34.8 28.4 80 80 A D H 3<5S+ 0 0 109 -4,-1.1 -2,-0.2 1,-0.3 3,-0.1 0.805 112.3 62.6 -43.0 -58.5 68.3 36.6 30.9 81 81 A A H 3<5S+ 0 0 77 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.766 124.3 21.3 -37.6 -39.2 71.4 35.9 28.7 82 82 A T H <<5S- 0 0 47 -3,-2.8 -2,-0.3 -4,-0.7 -1,-0.3 0.373 103.2-130.4-110.4 -10.5 69.6 38.0 26.2 83 83 A G T <5 + 0 0 59 -4,-2.4 -3,-0.3 -3,-0.1 -4,-0.1 0.736 56.9 149.3 63.1 23.9 67.3 39.8 28.6 84 84 A M < - 0 0 14 -5,-1.5 2,-0.3 -6,-0.4 -34,-0.2 -0.158 33.8-138.6 -75.4-179.7 64.4 38.9 26.3 85 85 A T B -c 50 0A 45 -36,-1.3 -34,-3.2 -6,-0.1 45,-0.1 -0.891 15.0-139.9-144.7 166.6 60.9 38.3 27.9 86 86 A V + 0 0 2 43,-0.4 -34,-0.1 -2,-0.3 43,-0.1 -0.718 25.5 166.2-134.0 80.1 57.8 36.1 27.8 87 87 A P + 0 0 7 0, 0.0 46,-2.0 0, 0.0 45,-1.4 0.363 68.3 27.2 -73.2 -5.9 54.7 38.3 28.2 88 88 A M E - g 0 133B 3 -37,-0.4 -35,-0.9 43,-0.3 2,-0.3 -0.945 59.2-173.9-164.5 140.8 52.3 35.5 27.0 89 89 A A E -fg 53 134B 0 44,-1.0 46,-1.7 -2,-0.3 2,-0.3 -0.900 7.8-169.8-136.1 161.2 52.1 31.8 27.0 90 90 A T E -fg 54 135B 7 -37,-2.4 -35,-0.6 -2,-0.3 2,-0.5 -0.950 20.4-118.1-155.3 157.2 49.6 29.4 25.5 91 91 A T - 0 0 7 44,-0.6 2,-0.5 -2,-0.3 46,-0.3 -0.948 18.9-133.5-102.3 131.9 48.6 25.8 25.5 92 92 A N + 0 0 13 -2,-0.5 -36,-0.2 1,-0.1 46,-0.1 -0.743 40.4 154.4 -82.5 122.2 48.7 23.5 22.4 93 93 A L + 0 0 13 -2,-0.5 47,-0.3 44,-0.3 -1,-0.1 -0.306 61.3 58.1-137.9 39.6 45.4 21.7 22.5 94 94 A F S S+ 0 0 25 45,-0.1 -2,-0.1 46,-0.1 8,-0.0 0.490 86.0 63.7-147.0 -15.5 45.0 20.9 18.8 95 95 A T S S+ 0 0 79 3,-0.0 -2,-0.0 5,-0.0 5,-0.0 0.946 82.6 76.1 -83.9 -53.1 47.8 18.9 17.3 96 96 A H S > S- 0 0 35 1,-0.1 3,-2.2 2,-0.0 -3,-0.0 -0.331 86.1-118.6 -57.9 145.2 47.7 15.5 19.1 97 97 A P G > S+ 0 0 75 0, 0.0 3,-2.1 0, 0.0 4,-0.2 0.843 109.9 71.6 -58.9 -34.2 45.1 13.1 18.1 98 98 A V G 3 S+ 0 0 9 1,-0.3 3,-0.3 2,-0.1 4,-0.1 0.763 97.6 56.8 -55.6 -16.9 43.4 13.0 21.5 99 99 A F G < S+ 0 0 0 -3,-2.2 -1,-0.3 1,-0.2 3,-0.1 -0.024 70.8 116.4-105.2 31.2 42.4 16.6 20.4 100 100 A K S < S+ 0 0 81 -3,-2.1 -1,-0.2 1,-0.2 -2,-0.1 0.582 86.5 29.3 -71.5 -24.0 40.6 15.5 17.2 101 101 A D S S- 0 0 6 1,-0.5 41,-0.4 -3,-0.3 2,-0.2 0.425 129.5 -80.7-120.1 0.2 37.1 16.7 18.3 102 102 A G - 0 0 0 39,-0.1 -1,-0.5 -3,-0.1 4,-0.1 -0.746 27.2-109.1 129.3-177.2 38.4 19.5 20.5 103 103 A G S > S+ 0 0 0 -2,-0.2 3,-1.0 -3,-0.1 12,-0.3 0.691 107.8 18.0-113.7 -77.7 39.8 20.3 24.0 104 104 A F T 3 S+ 0 0 13 1,-0.3 57,-0.2 11,-0.1 627,-0.1 0.639 138.0 39.6 -73.3 -20.1 37.3 22.1 26.2 105 105 A T T 3 S+ 0 0 0 52,-0.1 -1,-0.3 53,-0.1 37,-0.2 -0.140 78.0 141.0-123.9 36.2 34.5 21.1 23.9 106 106 A A < - 0 0 2 -3,-1.0 -4,-0.1 2,-0.2 6,-0.1 -0.513 58.9-127.8 -73.8 145.6 35.3 17.5 23.0 107 107 A N S S+ 0 0 0 -2,-0.1 2,-0.4 1,-0.1 619,-0.3 -0.075 94.5 80.8 -75.4 18.2 32.2 15.1 22.9 108 108 A D S >> S- 0 0 32 618,-0.1 4,-2.1 1,-0.1 3,-1.6 -0.873 74.8-147.3-135.8 111.6 34.3 13.0 25.2 109 109 A R H 3> S+ 0 0 81 -2,-0.4 4,-2.2 1,-0.3 -1,-0.1 0.615 91.0 49.5 -54.3 -35.9 34.5 13.8 28.9 110 110 A D H 34 S+ 0 0 42 2,-0.2 4,-0.4 1,-0.2 -1,-0.3 0.662 109.9 51.1 -86.8 -6.4 38.0 12.7 29.9 111 111 A V H X> S+ 0 0 11 -3,-1.6 4,-3.3 2,-0.2 3,-1.7 0.941 111.2 49.1 -81.4 -42.4 39.7 14.6 27.0 112 112 A R H >X S+ 0 0 1 -4,-2.1 4,-1.8 1,-0.3 3,-0.5 0.960 114.9 45.8 -48.9 -50.9 37.7 17.6 28.1 113 113 A R H 3X S+ 0 0 22 -4,-2.2 4,-0.9 1,-0.3 -1,-0.3 0.593 112.7 50.6 -67.1 -16.3 39.0 16.7 31.6 114 114 A Y H <> S+ 0 0 18 -3,-1.7 4,-2.9 -4,-0.4 -1,-0.3 0.704 104.8 54.4 -95.0 -31.9 42.5 16.2 30.2 115 115 A A H X>S+ 0 0 0 -4,-3.1 3,-2.3 1,-0.3 5,-2.0 0.901 111.3 58.0 -38.4 -53.1 53.5 30.8 32.1 127 127 A A H ><5S+ 0 0 21 -4,-4.8 3,-1.8 -5,-0.4 -1,-0.3 0.891 106.4 46.5 -43.4 -59.1 52.8 32.1 35.6 128 128 A E T 3<5S+ 0 0 110 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.156 106.3 56.6 -80.8 17.9 56.4 31.6 36.6 129 129 A L T <45S- 0 0 32 -3,-2.3 -43,-0.4 -4,-0.2 -1,-0.3 0.333 117.5-110.3-118.6 -2.4 58.0 33.2 33.6 130 130 A G T <<5 + 0 0 53 -3,-1.8 -3,-0.2 -4,-0.7 -2,-0.2 0.649 50.8 177.1 80.7 14.5 56.0 36.3 34.3 131 131 A A < - 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0 0 70 -2,-3.1 2,-0.2 -5,-0.5 -50,-0.0 -0.095 47.5-139.4 -56.5 150.5 48.5 34.7 39.6 175 175 A D + 0 0 150 -44,-0.1 2,-0.1 -48,-0.1 -1,-0.1 -0.169 60.3 134.2 -97.7 37.9 48.4 38.1 37.9 176 176 A L - 0 0 7 -7,-0.2 2,-0.4 -2,-0.2 -43,-0.2 -0.475 41.2-156.1 -94.7 159.4 47.3 36.4 34.6 177 177 A R - 0 0 105 -45,-0.2 -43,-3.0 -2,-0.1 35,-0.2 -0.993 14.7-128.7-143.5 138.6 44.6 37.3 32.2 178 178 A F E -h 134 0B 1 33,-3.4 2,-0.3 -2,-0.4 -43,-0.2 -0.238 18.6-170.4 -81.3 155.9 42.7 35.2 29.7 179 179 A A E -h 135 0B 0 -45,-0.8 -43,-2.1 -46,-0.1 2,-0.5 -0.748 15.4-144.2-149.9 103.6 42.4 36.1 26.0 180 180 A I E -hi 136 214B 7 33,-1.5 35,-2.1 -2,-0.3 -43,-0.2 -0.720 13.6-150.9 -70.7 128.4 40.0 34.2 23.8 181 181 A E - 0 0 14 -45,-3.4 -43,-0.4 -2,-0.5 33,-0.0 -0.859 15.5-153.1-107.0 96.3 41.6 33.9 20.3 182 182 A P + 0 0 2 0, 0.0 35,-0.2 0, 0.0 14,-0.1 -0.107 21.2 166.9 -63.8 159.7 38.8 33.7 17.7 183 183 A K - 0 0 5 10,-1.0 12,-0.2 9,-0.2 38,-0.1 -0.830 29.0-140.6-172.4 136.7 39.0 32.0 14.2 184 184 A P S S- 0 0 0 0, 0.0 7,-3.6 0, 0.0 2,-0.2 0.999 72.2 -25.1 -67.4 -73.4 36.1 31.1 11.8 185 185 A N S S+ 0 0 53 5,-0.2 4,-0.2 35,-0.1 5,-0.1 -0.602 74.6 112.9-129.4-164.8 37.2 27.7 10.3 186 186 A E S S+ 0 0 61 2,-2.7 3,-0.1 -2,-0.2 2,-0.1 0.895 91.0 20.2 52.6 120.7 40.4 25.6 9.6 187 187 A P S S+ 0 0 53 0, 0.0 -1,-0.1 0, 0.0 -47,-0.1 -0.956 132.4 46.9 -72.8 -26.8 41.2 23.0 11.0 188 188 A R S S- 0 0 14 -49,-1.1 -2,-2.7 1,-0.1 3,-0.2 -0.271 84.8-125.9 -71.8 165.4 37.5 22.6 11.9 189 189 A G S S+ 0 0 30 1,-0.4 2,-0.4 -4,-0.2 -45,-0.2 0.835 103.9 11.9 -76.1 -44.2 34.9 23.1 9.2 190 190 A D E S-J 143 0C 31 -47,-0.7 -47,-1.6 -5,-0.1 2,-0.6 -0.957 81.5-148.5-132.4 124.9 33.2 25.6 11.5 191 191 A I E -J 142 0C 7 -7,-3.6 -49,-0.3 -2,-0.4 -8,-0.2 -0.902 22.4-117.1 -96.1 125.7 35.1 26.8 14.6 192 192 A L S S+ 0 0 10 -51,-2.2 -9,-0.2 -2,-0.6 -54,-0.1 -0.235 102.3 23.9 -52.8 153.7 33.0 27.7 17.7 193 193 A L S S- 0 0 8 1,-0.1 -10,-1.0 -11,-0.1 -1,-0.2 0.951 79.8-177.3 52.8 58.0 33.5 31.5 18.6 194 194 A P + 0 0 14 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.569 52.1 16.3 -63.3 -14.4 34.5 32.3 15.0 195 195 A T S > S- 0 0 0 -12,-0.2 4,-2.3 -13,-0.1 5,-0.2 -0.947 85.3 -86.6-152.5 175.8 35.2 36.0 15.5 196 196 A V H > S+ 0 0 0 -2,-0.3 4,-3.6 1,-0.2 5,-0.2 0.804 121.5 50.4 -50.8 -46.7 35.9 38.9 17.8 197 197 A G H > S+ 0 0 0 2,-0.2 4,-4.1 1,-0.2 5,-0.3 0.979 109.7 46.2 -62.9 -59.4 32.2 39.6 18.3 198 198 A H H > S+ 0 0 7 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.872 118.1 46.1 -50.1 -44.8 31.1 36.1 19.2 199 199 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 5,-0.3 0.981 112.0 49.1 -62.3 -60.6 34.1 35.9 21.6 200 200 A L H X S+ 0 0 2 -4,-3.6 4,-0.8 1,-0.2 -2,-0.2 0.919 114.4 46.8 -46.0 -53.9 33.4 39.4 23.0 201 201 A A H >< S+ 0 0 8 -4,-4.1 3,-1.7 1,-0.2 -1,-0.2 0.968 109.3 55.1 -53.1 -50.4 29.8 38.4 23.6 202 202 A F H >X S+ 0 0 0 -4,-2.5 3,-2.3 -5,-0.3 4,-0.6 0.867 99.8 59.3 -48.9 -49.0 30.9 35.0 25.1 203 203 A I H >< S+ 0 0 1 -4,-2.4 3,-0.5 1,-0.3 -1,-0.3 0.761 97.5 61.4 -54.5 -30.7 33.1 36.7 27.7 204 204 A E T << S+ 0 0 34 -3,-1.7 -1,-0.3 -4,-0.8 -2,-0.2 0.388 100.8 53.0 -79.4 5.4 30.0 38.5 29.1 205 205 A R T <4 S+ 0 0 75 -3,-2.3 -1,-0.2 -4,-0.2 -2,-0.2 0.539 90.8 99.6-117.5 -4.2 28.4 35.2 29.9 206 206 A L S << S- 0 0 9 -4,-0.6 -46,-0.1 -3,-0.5 6,-0.0 -0.378 83.4-120.1 -79.7 160.1 31.4 34.2 31.9 207 207 A E S S+ 0 0 115 1,-0.3 -1,-0.1 -48,-0.2 -3,-0.1 0.257 107.1 26.7 -92.5 6.1 31.4 34.5 35.7 208 208 A R S > S+ 0 0 36 -5,-0.2 3,-1.9 1,-0.0 -1,-0.3 -0.498 70.1 175.9-167.9 69.2 34.4 36.9 35.9 209 209 A P G >> S+ 0 0 31 0, 0.0 3,-1.8 0, 0.0 4,-0.7 0.723 70.6 72.0 -62.5 -16.2 34.4 38.8 32.6 210 210 A E G 34 S+ 0 0 123 1,-0.3 -6,-0.0 2,-0.2 -7,-0.0 0.552 87.4 61.3 -76.3 -17.6 37.2 41.0 33.7 211 211 A L G <4 S+ 0 0 31 -3,-1.9 -33,-3.4 -8,-0.1 -1,-0.3 0.303 102.0 64.8 -88.5 12.4 39.8 38.2 33.5 212 212 A Y T <4 + 0 0 0 -3,-1.8 -2,-0.2 -35,-0.2 30,-0.2 0.876 48.0 149.6-111.8 -77.6 39.1 37.9 29.8 213 213 A G < - 0 0 0 -4,-0.7 -33,-1.5 -34,-0.1 2,-0.4 0.027 49.0 -87.6 68.9 168.3 39.6 40.4 26.9 214 214 A V B -i 180 0B 0 26,-4.2 29,-1.4 -35,-0.3 28,-0.2 -0.933 16.9-151.9-129.9 144.6 40.4 39.2 23.3 215 215 A N - 0 0 0 -35,-2.1 29,-0.2 -2,-0.4 26,-0.1 -0.674 27.6-170.5-118.3 89.0 43.4 38.2 21.2 216 216 A P - 0 0 0 0, 0.0 29,-3.2 0, 0.0 2,-0.3 -0.334 14.3-153.6 -83.1 155.6 42.8 38.9 17.5 217 217 A E B > -d 245 0A 1 27,-0.2 4,-0.9 -35,-0.2 5,-0.2 -0.909 17.8-137.1-118.6 149.6 44.7 38.0 14.4 218 218 A V H > S+ 0 0 11 27,-1.2 4,-1.2 -2,-0.3 3,-0.5 0.928 107.0 46.4 -72.9 -43.1 44.5 40.1 11.2 219 219 A G H > S+ 0 0 0 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.885 105.0 61.2 -64.0 -40.2 44.3 37.0 9.0 220 220 A H H 4 S+ 0 0 3 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.750 110.5 37.4 -63.3 -34.2 41.7 35.3 11.2 221 221 A E H ><>S+ 0 0 1 -4,-0.9 5,-3.6 -3,-0.5 3,-0.8 0.675 110.7 63.3 -85.4 -26.5 39.0 38.0 10.8 222 222 A Q H 3<5S+ 0 0 22 -4,-1.2 3,-0.3 3,-0.3 -2,-0.2 0.834 92.8 63.2 -67.2 -25.6 40.1 38.3 7.2 223 223 A M T 3<5S+ 0 0 6 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.723 109.1 39.7 -72.6 -19.0 39.0 34.7 6.8 224 224 A A T < 5S- 0 0 2 -3,-0.8 -1,-0.3 -4,-0.2 -2,-0.2 0.371 117.7-120.8-103.8 -5.2 35.4 35.8 7.5 225 225 A G T 5 + 0 0 32 -3,-0.3 -3,-0.3 -4,-0.3 -2,-0.1 0.888 60.0 152.6 64.6 38.6 36.2 38.9 5.4 226 226 A L < - 0 0 21 -5,-3.6 2,-0.5 387,-0.1 4,-0.0 0.302 56.6 -98.5 -78.2-154.5 35.5 41.2 8.4 227 227 A N > - 0 0 42 1,-0.2 4,-2.3 2,-0.0 5,-0.2 -0.906 33.4-157.2-131.5 94.2 37.2 44.7 8.6 228 228 A F H >> S+ 0 0 4 -2,-0.5 4,-1.9 2,-0.2 3,-0.6 0.931 88.7 45.3 -47.7 -60.5 40.1 44.1 11.0 229 229 A P H >> S+ 0 0 12 0, 0.0 4,-2.4 0, 0.0 3,-1.4 0.948 112.5 52.9 -45.8 -59.5 40.6 47.7 12.2 230 230 A H H 3> S+ 0 0 31 1,-0.3 4,-1.2 2,-0.2 -2,-0.2 0.743 110.7 50.0 -35.8 -50.4 36.8 48.1 12.6 231 231 A G H S+ 0 0 0 -4,-1.1 5,-2.9 1,-0.3 2,-1.1 0.816 108.9 53.7 -84.4 -30.4 37.5 45.5 21.1 236 236 A L T <5S+ 0 0 21 -4,-2.2 -1,-0.3 3,-0.2 -4,-0.0 -0.752 109.4 48.9 -92.0 64.5 39.0 48.9 22.2 237 237 A W T 45S+ 0 0 49 -2,-1.1 -2,-0.2 -3,-0.2 -1,-0.2 -0.036 110.1 49.2-173.8 -37.0 35.5 50.2 23.2 238 238 A A T <5S- 0 0 13 -4,-1.0 -2,-0.2 -5,-0.1 -3,-0.1 0.386 110.5-129.0 -85.1 -11.9 34.7 47.1 25.2 239 239 A G T 5S+ 0 0 61 -5,-0.1 -3,-0.2 1,-0.1 -4,-0.1 0.834 75.3 122.9 55.8 37.0 38.2 47.8 26.7 240 240 A K < + 0 0 13 -5,-2.9 -26,-4.2 -6,-0.2 2,-1.3 0.209 21.6 111.9-114.8 15.5 38.8 44.1 25.8 241 241 A L + 0 0 14 -6,-0.6 41,-0.2 -28,-0.2 -26,-0.1 -0.664 28.4 159.3 -95.4 88.8 41.8 44.0 23.6 242 242 A F - 0 0 15 -2,-1.3 2,-0.3 -28,-0.2 -1,-0.2 0.788 67.3 -7.4 -78.4 -33.4 44.4 42.3 25.8 243 243 A H - 0 0 0 -29,-1.4 2,-0.3 39,-0.1 -1,-0.2 -0.968 62.2-148.4-163.5 155.5 46.8 41.2 22.9 244 244 A I E - e 0 284A 0 39,-0.6 41,-0.8 -2,-0.3 2,-0.5 -0.931 10.3-140.1-128.9 161.4 46.9 41.2 19.1 245 245 A D E -de 217 285A 2 -29,-3.2 -27,-1.2 -2,-0.3 2,-0.3 -0.997 22.9-145.4-124.9 113.6 48.4 38.9 16.5 246 246 A L E + e 0 286A 0 39,-3.4 41,-0.9 -2,-0.5 2,-0.3 -0.599 35.4 141.5 -81.3 143.2 49.9 40.9 13.6 247 247 A N - 0 0 4 -2,-0.3 14,-0.4 12,-0.1 2,-0.4 -0.999 46.4-113.1-166.6 173.6 49.7 39.2 10.1 248 248 A G B +K 258 0D 0 10,-2.9 10,-2.4 -2,-0.3 9,-0.4 -0.970 30.5 168.8-129.7 132.0 49.2 39.2 6.4 249 249 A Q - 0 0 5 13,-0.4 15,-0.3 -2,-0.4 2,-0.3 -0.989 24.5-155.0-145.3 131.1 46.3 37.5 4.6 250 250 A S - 0 0 58 -2,-0.4 2,-0.1 1,-0.2 13,-0.1 -0.186 62.6 -55.8-103.3 48.5 45.2 37.7 1.0 251 251 A G S S- 0 0 31 -2,-0.3 2,-0.4 2,-0.1 -1,-0.2 -0.378 87.0 -26.9 110.4 167.5 41.5 36.9 1.3 252 252 A I S S+ 0 0 89 -2,-0.1 2,-0.2 -3,-0.1 -29,-0.1 -0.538 98.7 104.4 -56.2 97.2 38.8 34.4 2.4 253 253 A K S S- 0 0 88 -2,-0.4 3,-0.2 1,-0.0 -2,-0.1 -0.913 76.9 -41.9-167.5 176.6 41.2 31.4 2.1 254 254 A Y S S- 0 0 131 -2,-0.2 2,-0.6 1,-0.2 -68,-0.0 -0.005 80.3 -77.6 -50.9 161.6 43.4 29.0 4.2 255 255 A D + 0 0 22 1,-0.2 -1,-0.2 2,-0.1 -6,-0.1 -0.564 56.4 177.3 -66.5 106.2 45.3 30.5 7.2 256 256 A Q - 0 0 40 -2,-0.6 -1,-0.2 -3,-0.2 33,-0.1 0.928 15.8-159.7 -73.7 -57.2 48.3 32.0 5.3 257 257 A D + 0 0 2 -9,-0.4 32,-3.3 1,-0.2 -8,-0.2 0.860 21.7 178.7 72.4 41.8 50.1 33.7 8.1 258 258 A L B -K 248 0D 51 -10,-2.4 -10,-2.9 30,-0.2 -1,-0.2 -0.425 39.5 -84.1 -64.0 150.9 52.0 36.1 5.8 259 259 A R > - 0 0 109 -12,-0.2 3,-1.3 30,-0.2 -12,-0.1 -0.107 58.8 -86.3 -48.6 150.8 54.4 38.6 7.4 260 260 A F T 3 S+ 0 0 3 1,-0.2 49,-0.2 -14,-0.2 -12,-0.2 -0.428 120.0 37.2 -67.8 143.1 52.8 41.8 8.7 261 261 A G T 3 S+ 0 0 11 1,-0.6 -1,-0.2 -14,-0.4 7,-0.1 -0.307 100.1 103.1 105.0 -38.2 52.5 44.5 6.0 262 262 A A S < S+ 0 0 22 -3,-1.3 2,-0.6 3,-0.1 -1,-0.6 -0.291 73.7 22.2 -63.5 146.1 51.7 41.6 3.7 263 263 A G S S+ 0 0 37 -15,-0.3 2,-1.1 -3,-0.1 3,-0.2 -0.788 127.7 20.1 93.4-126.4 48.1 41.0 2.6 264 264 A D S > S- 0 0 78 -2,-0.6 4,-1.9 -15,-0.3 -3,-0.2 -0.766 70.5-176.6 -82.4 97.9 45.8 44.1 3.0 265 265 A L H > S+ 0 0 82 -2,-1.1 4,-0.6 1,-0.2 -1,-0.2 0.995 82.4 45.1 -60.0 -56.6 48.5 46.7 3.0 266 266 A R H >> S+ 0 0 57 2,-0.3 4,-1.5 1,-0.2 3,-0.9 0.804 105.0 60.0 -55.1 -39.2 46.0 49.4 3.5 267 267 A A H >> S+ 0 0 18 1,-0.3 3,-1.3 2,-0.2 4,-1.3 0.996 104.5 54.5 -55.1 -48.7 44.1 47.5 6.2 268 268 A A H 3X S+ 0 0 8 -4,-1.9 4,-1.7 1,-0.3 -1,-0.3 0.656 100.3 56.9 -49.2 -38.8 47.5 47.6 8.0 269 269 A F H S+ 0 0 0 -4,-1.7 4,-4.5 2,-0.2 5,-0.6 0.961 115.0 52.1 -57.4 -42.8 48.7 51.1 13.4 273 273 A D H X5S+ 0 0 7 -4,-2.0 4,-7.4 2,-0.2 5,-0.5 0.983 115.8 38.1 -45.5 -71.5 46.7 54.3 13.3 274 274 A L H X5S+ 0 0 31 -4,-2.2 4,-1.6 1,-0.3 6,-0.2 0.949 123.0 42.8 -44.8 -60.1 44.0 52.8 15.5 275 275 A L H <>S+ 0 0 1 -4,-4.5 5,-1.7 1,-0.2 4,-0.4 0.748 123.8 37.5 -58.7 -40.8 46.5 51.0 17.6 276 276 A E H <5S+ 0 0 61 -4,-4.5 3,-0.4 -5,-0.3 -1,-0.2 0.807 119.8 45.7 -85.9 -36.1 48.9 54.0 17.7 277 277 A T H < - 0 0 63 0, 0.0 3,-1.0 0, 0.0 8,-0.1 -0.095 26.6-121.3 -46.1 147.0 57.0 30.8 3.5 292 292 A R T 3 S+ 0 0 79 1,-0.2 -268,-0.0 -270,-0.1 7,-0.0 0.320 104.0 74.4 -71.2 -5.4 58.3 27.3 3.0 293 293 A T T 3 S+ 0 0 120 2,-0.1 2,-0.3 5,-0.0 -1,-0.2 0.437 88.6 80.5 -81.3 -9.1 60.3 28.3 -0.1 294 294 A E < - 0 0 84 -3,-1.0 4,-0.2 1,-0.1 2,-0.1 -0.706 67.5-142.4-106.8 144.7 62.8 30.0 2.1 295 295 A D > - 0 0 118 2,-0.4 4,-2.5 -2,-0.3 5,-0.1 -0.183 56.4 -61.7 -89.4-163.7 65.8 28.9 4.2 296 296 A F H > S+ 0 0 65 2,-0.2 4,-4.2 1,-0.2 2,-1.2 0.849 137.8 42.5 -58.7 -55.6 66.9 30.4 7.5 297 297 A D H 4 S+ 0 0 110 2,-0.3 -2,-0.4 3,-0.2 2,-0.3 -0.927 109.6 59.8 -97.3 97.0 67.6 34.0 6.4 298 298 A G H > S+ 0 0 10 -2,-1.2 4,-2.1 -4,-0.2 -2,-0.2 -0.565 113.2 38.2-173.0 -63.9 64.4 33.6 4.4 299 299 A V H X S+ 0 0 0 -4,-2.5 4,-1.8 -2,-0.3 3,-0.4 0.862 116.6 52.4 -56.0 -60.0 63.0 33.1 7.8 300 300 A W H < S+ 0 0 14 -4,-4.2 4,-0.3 1,-0.3 -1,-0.2 0.878 111.5 45.1 -56.9 -40.2 65.2 35.7 9.3 301 301 A A H > S+ 0 0 53 2,-0.2 4,-2.8 1,-0.2 -1,-0.3 0.745 108.0 52.3 -75.3 -35.9 64.2 38.4 6.8 302 302 A S H X S+ 0 0 12 -4,-2.1 4,-2.8 -3,-0.4 -1,-0.2 0.949 111.0 50.1 -64.8 -47.7 60.4 38.1 6.8 303 303 A A H X S+ 0 0 1 -4,-1.8 4,-0.8 2,-0.2 -1,-0.3 0.621 110.5 50.1 -52.9 -25.4 60.4 38.3 10.5 304 304 A A H >> S+ 0 0 47 -4,-0.3 4,-1.2 -5,-0.2 3,-1.0 0.937 108.5 54.0 -76.5 -50.1 62.6 41.5 10.1 305 305 A G H >X S+ 0 0 12 -4,-2.8 4,-2.8 1,-0.3 3,-1.0 0.818 97.0 63.5 -39.8 -59.7 60.0 42.7 7.6 306 306 A C H 3X S+ 0 0 0 -4,-2.8 4,-1.2 1,-0.3 -1,-0.3 0.884 109.9 41.1 -35.8 -50.7 57.2 42.3 10.1 307 307 A M H X S+ 0 0 42 -4,-2.0 3,-0.8 1,-0.1 4,-0.8 0.751 104.9 66.6 -73.1 -32.3 52.2 62.2 9.7 320 320 A F H >< S+ 0 0 0 -4,-0.7 2,-2.4 1,-0.3 3,-1.6 0.988 103.6 45.7 -58.4 -51.3 48.7 61.5 8.3 321 321 A R T 3< S+ 0 0 82 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.1 -0.253 113.9 50.1 -85.5 50.9 47.3 63.1 11.5 322 322 A A T <4 S+ 0 0 58 -2,-2.4 -1,-0.3 -3,-0.8 -2,-0.2 0.341 71.4 113.4-159.3 -7.2 49.6 66.0 11.3 323 323 A D XX - 0 0 21 -3,-1.6 3,-2.9 -4,-0.8 4,-1.9 -0.590 61.4-148.7 -68.3 110.4 49.2 67.1 7.8 324 324 A P H >> S+ 0 0 100 0, 0.0 4,-1.6 0, 0.0 3,-0.6 0.977 100.4 60.2 -48.2 -42.1 47.6 70.5 8.5 325 325 A E H 3> S+ 0 0 72 1,-0.3 4,-0.5 2,-0.2 -2,-0.1 0.724 104.1 49.4 -61.6 -14.4 45.9 69.8 5.2 326 326 A V H <> S+ 0 0 0 -3,-2.9 4,-1.0 -6,-0.2 -1,-0.3 0.768 102.6 57.6 -92.1 -38.3 44.4 66.7 6.6 327 327 A Q H S+ 0 0 21 -4,-1.0 5,-2.9 2,-0.2 6,-0.4 0.834 113.5 41.7 -78.5 -30.3 38.8 65.9 9.2 331 331 A R H ><5S+ 0 0 146 -4,-1.4 3,-2.1 3,-0.2 -2,-0.2 0.970 108.5 60.6 -71.0 -54.7 36.7 69.0 9.9 332 332 A A H 3<5S+ 0 0 53 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.741 110.6 38.4 -35.1 -56.2 35.3 69.1 6.4 333 333 A A T 3<5S- 0 0 1 -4,-1.3 -1,-0.3 38,-0.2 -2,-0.2 0.138 117.0-117.0 -86.1 6.0 33.6 65.7 6.6 334 334 A R T X>5 + 0 0 26 -3,-2.1 4,-0.8 1,-0.1 3,-0.8 0.850 55.7 158.9 55.2 63.5 32.7 66.5 10.3 335 335 A L H 3> + 0 0 19 1,-0.3 2,-1.3 -2,-0.2 3,-1.2 0.706 67.5 91.3 -62.8 -20.8 15.0 62.6 25.4 349 349 A A T 3 + 0 0 84 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 -0.540 48.0 100.9 -92.8 75.3 13.2 66.0 25.2 350 350 A L T 3 + 0 0 1 -2,-1.3 -1,-0.3 3,-0.1 3,-0.2 -0.112 62.6 96.5-124.9 -28.3 14.8 66.2 21.9 351 351 A L S < S+ 0 0 44 -3,-1.2 5,-0.2 1,-0.2 6,-0.1 0.709 88.2 23.1 -62.5-130.3 11.1 65.1 21.2 352 352 A A S S+ 0 0 92 2,-0.1 -1,-0.2 4,-0.1 2,-0.1 -0.387 84.0 124.0 -53.7 120.7 9.1 68.4 20.4 353 353 A D >> - 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0 0 21 -3,-1.3 4,-3.0 1,-0.2 5,-0.2 -0.812 58.2-152.5 -87.4 123.2 14.8 7.6 14.4 713 324 B P H >> S+ 0 0 89 0, 0.0 4,-1.0 0, 0.0 3,-0.6 0.999 101.1 51.1 -55.1 -59.9 15.8 4.9 16.8 714 325 B E H >4 S+ 0 0 66 1,-0.3 3,-1.9 2,-0.2 53,-0.0 0.869 112.0 48.1 -40.8 -52.0 18.7 4.1 14.5 715 326 B V H 3> S+ 0 0 0 1,-0.3 4,-1.7 -6,-0.1 -1,-0.3 0.867 105.7 56.1 -59.0 -40.8 19.6 7.9 14.6 716 327 B Q H <>S+ 0 0 27 -4,-1.7 5,-1.7 2,-0.2 3,-1.0 0.946 111.9 40.2 -68.2 -53.7 24.2 10.1 18.5 720 331 B R G ><5S+ 0 0 142 -4,-0.8 3,-2.0 1,-0.3 -1,-0.2 0.890 113.3 56.1 -66.8 -32.6 25.1 8.0 21.6 721 332 B A G 3 5S+ 0 0 51 1,-0.3 -1,-0.3 2,-0.1 -2,-0.2 0.755 107.2 50.4 -67.2 -23.2 27.7 6.3 19.4 722 333 B A G < 5S- 0 0 0 -3,-1.0 -1,-0.3 -4,-0.3 -2,-0.3 0.301 114.4-120.7 -99.9 14.0 29.0 9.9 18.9 723 334 B R T <>5 + 0 0 36 -3,-2.0 4,-0.5 1,-0.1 -3,-0.2 0.890 65.8 142.8 50.7 41.9 29.0 10.6 22.6 724 335 B L H >4 S+ 0 0 64 -619,-0.3 3,-0.6 2,-0.2 -2,-0.2 0.706 101.4 60.6 -65.9 -24.0 28.5 13.0 27.1 727 338 B L H 3< S+ 0 0 0 -4,-0.5 -1,-0.2 1,-0.3 -2,-0.2 0.897 103.0 54.9 -67.4 -34.4 28.7 16.6 25.6 728 339 B A T 3< S+ 0 0 47 -4,-0.7 -1,-0.3 -3,-0.2 -2,-0.2 0.571 94.8 84.6 -73.9 -15.2 25.6 17.1 27.6 729 340 B Q S < S- 0 0 82 -3,-0.6 2,-0.2 -4,-0.2 -572,-0.0 -0.836 88.6-107.3 -91.2 148.0 27.3 16.0 30.8 730 341 B P > - 0 0 59 0, 0.0 3,-0.5 0, 0.0 -2,-0.1 -0.396 17.2-140.8 -74.8 135.2 29.4 18.5 32.8 731 342 B T T 3 S+ 0 0 3 1,-0.2 -618,-0.1 -2,-0.2 -574,-0.0 0.809 91.4 12.1 -56.6 -52.0 33.2 18.1 32.8 732 343 B A T 3 S+ 0 0 9 5,-0.0 -1,-0.2 7,-0.0 4,-0.1 -0.524 85.4 176.6-135.1 71.5 33.8 18.9 36.4 733 344 B A X + 0 0 60 -3,-0.5 3,-1.9 1,-0.1 -2,-0.0 0.348 36.0 17.0 -68.1-170.5 30.7 18.9 38.7 734 345 B D T 3 S- 0 0 166 1,-0.3 -1,-0.1 2,-0.1 3,-0.0 0.516 124.6 -17.1 -1.0 116.0 29.8 19.4 42.3 735 346 B G T 3 S+ 0 0 68 1,-0.1 2,-1.0 -3,-0.1 -1,-0.3 0.200 107.5 141.0 63.1 -5.2 32.1 20.9 44.8 736 347 B L < + 0 0 78 -3,-1.9 2,-0.8 1,-0.1 3,-0.2 -0.463 29.0 124.2-111.7 99.5 34.8 20.2 42.2 737 348 B D + 0 0 32 -2,-1.0 4,-0.2 1,-0.2 3,-0.2 -0.440 66.0 112.2 -94.2 47.9 37.8 21.9 40.9 738 349 B A + 0 0 32 -2,-0.8 -1,-0.2 2,-0.2 -2,-0.1 -0.110 31.5 93.8-133.4 52.6 39.2 18.5 42.0 739 350 B L S > S+ 0 0 1 -3,-0.2 3,-0.5 2,-0.2 -1,-0.2 0.331 78.5 76.2 -94.7 -25.0 40.2 17.0 38.8 740 351 B L T 3 S+ 0 0 47 1,-0.2 -2,-0.2 -3,-0.2 5,-0.1 0.989 98.8 39.1 -59.4 -58.8 43.3 18.7 40.1 741 352 B A T 3 S+ 0 0 88 -4,-0.2 -1,-0.2 4,-0.0 2,-0.2 0.324 99.6 98.4 -74.7 7.1 43.6 15.8 42.6 742 353 B D < - 0 0 41 -3,-0.5 5,-0.3 1,-0.1 -3,-0.1 -0.547 49.4-167.9 -97.8 165.7 42.6 13.1 40.1 743 354 B R S > >S+ 0 0 134 -2,-0.2 5,-3.0 3,-0.1 3,-1.0 0.556 84.8 71.9-113.0 -35.1 44.9 10.8 38.2 744 355 B A T 3 5S+ 0 0 63 1,-0.2 6,-0.2 4,-0.2 -630,-0.0 0.349 103.3 50.8 -60.5 -2.4 42.3 9.4 35.8 745 356 B A T 3 5S- 0 0 0 -6,-0.2 -628,-0.3 -5,-0.1 -1,-0.2 0.570 131.5 -15.2-116.7 -18.6 42.6 12.9 34.4 746 357 B F T < 5S+ 0 0 80 -3,-1.0 -3,-0.1 -629,-0.1 -2,-0.1 0.370 127.2 42.1-144.9 -72.4 46.3 13.6 33.8 747 358 B E T 5S+ 0 0 101 -5,-0.3 -3,-0.1 1,-0.2 -4,-0.1 0.922 131.5 24.9 -56.0 -45.8 49.0 11.5 35.3 748 359 B D S - 0 0 97 1,-0.2 4,-2.3 -6,-0.2 5,-0.2 -0.799 19.4-174.5 -99.5 101.0 45.7 7.1 28.6 751 362 B V H > S+ 0 0 19 -2,-0.9 4,-5.0 1,-0.2 5,-0.3 0.958 83.6 52.0 -53.5 -58.1 45.8 9.4 25.6 752 363 B D H > S+ 0 0 105 2,-0.3 4,-2.2 3,-0.2 -1,-0.2 0.821 106.7 55.5 -58.5 -32.6 46.1 6.7 23.0 753 364 B A H >> S+ 0 0 45 2,-0.2 3,-1.0 1,-0.2 4,-1.0 1.000 117.3 34.8 -55.6 -64.8 43.1 5.0 24.5 754 365 B A H >< S+ 0 0 32 -4,-2.3 3,-1.2 1,-0.3 -2,-0.3 0.885 115.9 59.8 -53.6 -38.2 41.1 8.2 24.1 755 366 B A H 3< S+ 0 0 20 -4,-5.0 -1,-0.3 1,-0.3 -2,-0.2 0.839 101.6 53.7 -53.3 -45.0 43.1 8.8 20.8 756 367 B A H << S+ 0 0 72 -4,-2.2 2,-0.6 -3,-1.0 -1,-0.3 0.670 81.2 99.7 -63.8 -35.7 41.8 5.6 19.3 757 368 B R << - 0 0 179 -3,-1.2 2,-0.3 -4,-1.0 3,-0.0 -0.552 69.0-144.6 -70.4 117.7 38.1 6.3 19.8 758 369 B G - 0 0 47 -2,-0.6 -2,-0.1 2,-0.0 2,-0.0 -0.698 15.4-121.6 -78.3 134.9 36.9 7.5 16.5 759 370 B M - 0 0 35 -2,-0.3 3,-0.3 1,-0.1 -37,-0.1 -0.419 25.5-139.5 -63.7 156.0 34.2 10.2 16.6 760 371 B A > + 0 0 36 1,-0.2 4,-1.2 -42,-0.2 3,-0.5 -0.110 61.3 122.3-118.1 46.7 31.3 8.5 14.7 761 372 B F H > + 0 0 28 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.699 57.4 63.6 -81.9 -24.6 30.1 11.4 12.8 762 373 B E H > S+ 0 0 155 -3,-0.3 4,-0.8 1,-0.2 -1,-0.2 0.714 109.4 47.1 -68.8 -21.8 30.3 10.4 9.1 763 374 B H H > S+ 0 0 87 -3,-0.5 4,-1.2 2,-0.2 -2,-0.2 0.793 112.6 46.7 -83.4 -45.1 27.7 7.8 9.9 764 375 B L H >X S+ 0 0 2 -4,-1.2 4,-2.2 1,-0.2 3,-0.8 0.946 111.4 54.3 -61.6 -43.0 25.5 10.2 11.8 765 376 B D H 3< S+ 0 0 21 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.830 106.8 49.1 -53.5 -47.2 25.8 12.6 8.9 766 377 B Q H >X S+ 0 0 92 -4,-0.8 4,-2.3 2,-0.2 3,-0.6 0.726 106.7 55.9 -71.5 -21.9 24.7 10.1 6.4 767 378 B L H << S+ 0 0 6 -4,-1.2 5,-0.4 -3,-0.8 -2,-0.2 0.992 114.3 40.8 -66.1 -51.7 21.6 9.2 8.5 768 379 B A T 3< S+ 0 0 1 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.277 108.3 62.5 -66.1 -6.1 20.7 12.9 8.4 769 380 B M T <4 S+ 0 0 43 -3,-0.6 8,-0.4 3,-0.2 -2,-0.2 0.871 107.2 43.1 -95.4 -43.0 21.7 13.1 4.7 770 381 B D S < S- 0 0 27 -4,-2.3 6,-0.3 2,-0.3 5,-0.2 -0.185 115.0-115.6 -74.5-176.4 19.0 10.6 3.9 771 382 B H S S- 0 0 25 4,-3.3 -1,-0.2 2,-0.7 5,-0.1 0.566 85.0 -39.0-103.5 7.6 16.5 12.3 6.1 772 383 B L S S- 0 0 24 3,-0.6 -2,-0.3 -5,-0.4 2,-0.3 -0.431 123.4 -28.8 170.9 -90.5 16.5 9.2 8.2 773 384 B L S S+ 0 0 95 -2,-0.1 -2,-0.7 3,-0.1 -1,-0.1 -0.788 120.0 1.8-135.1-178.2 16.6 6.4 5.6 774 385 B G S S+ 0 0 73 -2,-0.3 -2,-0.1 -4,-0.1 -3,-0.1 -0.275 111.6 66.0 56.7-119.8 15.3 6.2 2.0 775 386 B A S S- 0 0 43 -5,-0.2 -4,-3.3 -4,-0.1 -3,-0.6 0.281 80.8-123.4 -30.4 152.6 13.9 9.7 1.5 776 387 B R 0 0 141 -6,-0.3 -6,-0.1 -5,-0.1 -5,-0.1 0.069 360.0 360.0 -95.2-164.8 16.1 12.7 1.4 777 388 B G 0 0 17 -8,-0.4 -122,-0.1 -7,-0.1 -123,-0.0 0.417 360.0 360.0 139.0 360.0 16.2 16.0 3.4