==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 21-DEC-09 3ABS . COMPND 2 MOLECULE: ETHANOLAMINE AMMONIA-LYASE HEAVY CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR N.SHIBATA . 1410 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45380.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 955 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 104 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.1 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 . 74 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 134 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 490 34.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 31 2.2 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 4 4 8 2 11 5 1 2 5 3 0 0 4 3 2 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 9 2 4 10 0 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 PARALLEL BRIDGES PER LADDER . 8 6 0 4 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 0 ANTIPARALLEL BRIDGES PER LADDER . 6 2 4 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A M 0 0 114 0, 0.0 2,-0.4 0, 0.0 53,-0.1 0.000 360.0 360.0 360.0 144.8 85.3 -102.7 21.5 2 2 A K - 0 0 117 48,-0.1 51,-0.1 1,-0.1 52,-0.0 -0.738 360.0-176.6 -87.1 128.8 82.5 -100.2 22.0 3 3 A L + 0 0 34 -2,-0.4 11,-1.7 11,-0.1 2,-0.3 0.166 62.4 53.7-110.5 14.5 79.8 -100.4 19.3 4 4 A K E -A 13 0A 100 9,-0.2 2,-0.3 46,-0.1 9,-0.2 -0.972 51.8-178.5-145.4 160.5 77.7 -97.5 20.6 5 5 A T E -A 12 0A 17 7,-1.1 7,-3.3 -2,-0.3 2,-0.5 -0.958 27.6-118.2-147.4 164.7 77.8 -93.8 21.7 6 6 A T E -A 11 0A 55 -2,-0.3 1159,-0.5 5,-0.2 2,-0.4 -0.940 28.0-177.7-106.9 130.1 75.4 -91.2 23.1 7 7 A L E > S-A 10 0A 0 3,-3.0 3,-1.6 -2,-0.5 1157,-0.1 -0.973 71.5 -17.7-132.6 119.1 74.8 -88.1 21.0 8 8 A F T 3 S- 0 0 41 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.826 128.6 -52.6 52.9 38.4 72.6 -85.2 22.2 9 9 A G T 3 S+ 0 0 56 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.196 117.1 111.3 89.7 -15.9 71.0 -87.6 24.8 10 10 A N E < -A 7 0A 99 -3,-1.6 -3,-3.0 2,-0.0 2,-0.4 -0.768 65.5-129.5 -97.0 136.5 70.2 -90.3 22.2 11 11 A V E -A 6 0A 93 -2,-0.4 2,-0.7 -5,-0.2 -5,-0.2 -0.693 14.9-158.7 -86.6 130.6 71.9 -93.6 22.1 12 12 A Y E -A 5 0A 38 -7,-3.3 -7,-1.1 -2,-0.4 2,-0.3 -0.875 12.9-169.8-113.8 99.4 73.3 -94.8 18.8 13 13 A Q E -A 4 0A 117 -2,-0.7 2,-0.3 -9,-0.2 -9,-0.2 -0.653 4.1-167.0 -92.6 140.9 73.8 -98.5 18.6 14 14 A F - 0 0 5 -11,-1.7 3,-0.1 -2,-0.3 -11,-0.1 -0.974 16.4-146.6-128.6 145.4 75.7 -100.4 15.9 15 15 A K S S- 0 0 176 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.860 71.6 -12.7 -82.9 -38.0 75.7 -104.1 15.2 16 16 A D > - 0 0 75 1,-0.1 4,-1.7 -13,-0.1 3,-0.2 -0.927 69.8 -92.7-153.4 176.3 79.2 -104.7 13.9 17 17 A V H > S+ 0 0 5 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.935 119.3 59.2 -59.7 -48.6 82.4 -103.0 12.5 18 18 A K H > S+ 0 0 64 1,-0.2 4,-1.4 2,-0.2 285,-0.3 0.835 107.1 47.5 -50.0 -40.9 81.2 -103.4 8.9 19 19 A E H > S+ 0 0 49 -3,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.903 111.2 49.4 -68.4 -44.8 78.1 -101.3 9.7 20 20 A V H X S+ 0 0 0 -4,-1.7 4,-1.5 1,-0.2 -2,-0.2 0.918 111.2 50.1 -60.1 -46.3 80.1 -98.5 11.5 21 21 A L H < S+ 0 0 0 -4,-2.8 4,-0.4 1,-0.2 -1,-0.2 0.850 113.8 47.2 -58.5 -37.7 82.5 -98.3 8.6 22 22 A A H >< S+ 0 0 2 -4,-1.4 3,-0.8 -5,-0.3 16,-0.3 0.920 113.2 44.1 -72.0 -46.6 79.5 -98.0 6.2 23 23 A K H 3< S+ 0 0 31 -4,-2.6 15,-0.2 1,-0.2 25,-0.2 0.656 102.4 66.6 -79.8 -15.9 77.5 -95.4 8.1 24 24 A A T 3< S+ 0 0 0 -4,-1.5 -1,-0.2 23,-0.2 -2,-0.2 0.658 81.4 104.1 -77.0 -18.4 80.5 -93.1 8.9 25 25 A N S < S- 0 0 2 -3,-0.8 13,-0.3 -4,-0.4 3,-0.1 -0.324 84.0-105.8 -57.4 142.7 80.8 -92.4 5.1 26 26 A E - 0 0 31 1,-0.1 -1,-0.1 11,-0.1 -2,-0.1 -0.424 60.2 -72.2 -60.5 148.5 79.7 -89.1 3.8 27 27 A L + 0 0 99 -2,-0.1 2,-0.3 -3,-0.1 -1,-0.1 -0.173 64.2 162.6 -50.8 126.2 76.4 -89.4 1.9 28 28 A R > - 0 0 2 -3,-0.1 4,-1.3 307,-0.1 3,-0.4 -0.990 45.7-124.8-144.9 151.4 76.6 -91.1 -1.5 29 29 A S H > S+ 0 0 22 -2,-0.3 4,-1.9 1,-0.2 306,-0.2 0.763 108.1 59.4 -64.6 -27.2 74.0 -92.7 -3.8 30 30 A G H > S+ 0 0 0 304,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.867 103.3 49.5 -70.4 -38.6 75.9 -96.0 -3.9 31 31 A D H 4>S+ 0 0 3 -3,-0.4 5,-2.2 303,-0.3 6,-1.2 0.819 111.2 50.0 -69.2 -33.2 75.7 -96.6 -0.1 32 32 A V H ><5S+ 0 0 87 -4,-1.3 3,-0.8 3,-0.2 -2,-0.2 0.895 110.0 51.3 -69.3 -42.1 72.0 -95.9 -0.1 33 33 A L H 3<5S+ 0 0 31 -4,-1.9 -2,-0.2 300,-0.3 -1,-0.2 0.844 109.4 49.8 -60.9 -37.2 71.6 -98.4 -3.0 34 34 A A T 3<5S- 0 0 29 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.561 110.8-126.3 -78.3 -9.4 73.6 -101.0 -1.0 35 35 A G T < 5S+ 0 0 69 -3,-0.8 -3,-0.2 -4,-0.3 -2,-0.1 0.701 84.6 104.8 71.6 22.4 71.3 -100.3 2.0 36 36 A V < + 0 0 20 -5,-2.2 -4,-0.2 -14,-0.1 267,-0.1 0.440 47.4 110.9-113.0 -5.0 74.3 -99.6 4.2 37 37 A A S S- 0 0 19 -6,-1.2 -14,-0.2 1,-0.1 2,-0.1 -0.169 75.2 -91.9 -70.7 163.2 74.1 -95.8 4.5 38 38 A A - 0 0 13 -13,-0.3 -1,-0.1 -16,-0.3 3,-0.1 -0.406 23.8-133.9 -72.3 152.7 73.3 -93.8 7.6 39 39 A A S S- 0 0 94 1,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.773 82.3 -4.4 -77.9 -27.5 69.6 -92.8 8.2 40 40 A S S > S- 0 0 45 1,-0.1 4,-1.8 0, 0.0 -1,-0.1 -0.917 76.7 -93.9-153.2 176.0 70.6 -89.2 9.0 41 41 A S H > S+ 0 0 56 -2,-0.3 4,-2.0 2,-0.2 1177,-0.2 0.805 122.3 56.1 -66.5 -32.2 73.5 -86.7 9.6 42 42 A Q H > S+ 0 0 25 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.911 108.4 45.1 -66.5 -45.2 73.2 -87.5 13.4 43 43 A E H > S+ 0 0 31 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.865 110.9 56.0 -66.8 -37.0 73.7 -91.3 12.8 44 44 A R H X S+ 0 0 24 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.926 110.3 43.8 -57.2 -49.0 76.5 -90.5 10.4 45 45 A V H X S+ 0 0 6 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.912 111.7 52.8 -65.3 -45.3 78.4 -88.5 13.1 46 46 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.894 109.5 50.3 -57.1 -41.8 77.8 -91.0 15.8 47 47 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -23,-0.2 0.852 108.5 52.6 -62.7 -37.9 79.2 -93.7 13.4 48 48 A K H X S+ 0 0 5 -4,-1.7 4,-2.4 -25,-0.2 -2,-0.2 0.894 110.9 47.4 -64.4 -40.2 82.3 -91.5 12.9 49 49 A Q H X S+ 0 0 10 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.900 112.0 48.2 -68.4 -44.3 82.8 -91.2 16.7 50 50 A V H X S+ 0 0 5 -4,-2.4 4,-1.0 2,-0.2 3,-0.2 0.931 114.7 47.7 -59.4 -45.6 82.4 -94.9 17.3 51 51 A L H >< S+ 0 0 0 -4,-2.4 3,-0.5 1,-0.2 42,-0.5 0.895 109.8 51.9 -60.7 -44.1 84.9 -95.5 14.4 52 52 A S H 3< S+ 0 0 0 -4,-2.4 42,-2.3 1,-0.2 43,-0.4 0.783 110.1 49.4 -65.7 -28.6 87.3 -92.9 15.8 53 53 A E H 3< S+ 0 0 125 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.2 0.641 92.5 94.9 -87.5 -17.1 87.3 -94.6 19.2 54 54 A M S << S- 0 0 2 -4,-1.0 39,-2.0 -3,-0.5 40,-0.3 -0.395 76.3-118.5 -71.5 152.3 87.9 -98.1 17.8 55 55 A T B > -B 92 0B 31 37,-0.2 4,-1.0 38,-0.1 37,-0.2 -0.428 19.3-111.8 -88.4 165.2 91.5 -99.4 17.7 56 56 A V H > S+ 0 0 0 35,-1.9 4,-2.8 32,-0.5 3,-0.5 0.887 121.3 55.9 -56.9 -41.2 93.6 -100.5 14.7 57 57 A A H > S+ 0 0 13 32,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.879 100.9 56.6 -59.0 -42.7 93.3 -104.0 16.1 58 58 A D H 4 S+ 0 0 32 31,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.819 116.1 36.6 -57.3 -34.1 89.4 -103.8 16.1 59 59 A I H >< S+ 0 0 0 -4,-1.0 3,-0.6 -3,-0.5 -2,-0.2 0.803 114.1 53.6 -94.6 -33.4 89.5 -103.1 12.4 60 60 A R H 3< S+ 0 0 20 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.875 111.7 47.3 -64.9 -39.8 92.4 -105.3 11.4 61 61 A N T 3< S+ 0 0 104 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.395 110.3 56.2 -86.0 1.5 90.8 -108.3 13.0 62 62 A N < + 0 0 69 -3,-0.6 -1,-0.2 -5,-0.1 -2,-0.1 -0.439 69.5 173.8-130.4 63.2 87.4 -107.6 11.4 63 63 A P - 0 0 29 0, 0.0 -45,-0.1 0, 0.0 4,-0.1 -0.375 43.1-114.9 -69.3 152.9 87.8 -107.4 7.6 64 64 A V S S+ 0 0 9 1,-0.1 2,-0.4 2,-0.1 243,-0.0 0.756 105.9 36.8 -65.2 -27.8 84.6 -107.1 5.7 65 65 A I S S- 0 0 12 5,-0.1 -1,-0.1 2,-0.0 5,-0.1 -0.998 102.3-105.8-124.4 128.7 85.0 -110.5 4.0 66 66 A A >> - 0 0 43 -2,-0.4 3,-1.0 1,-0.1 4,-0.9 -0.061 22.0-117.5 -57.9 148.7 86.5 -113.3 6.2 67 67 A Y G >4 S+ 0 0 101 1,-0.2 3,-0.7 2,-0.2 7,-0.3 0.882 112.9 47.6 -49.5 -49.6 90.1 -114.6 5.7 68 68 A E G 34 S+ 0 0 154 1,-0.2 -1,-0.2 5,-0.1 3,-0.1 0.667 113.7 47.7 -71.9 -17.0 89.1 -118.1 4.8 69 69 A D G <4 S+ 0 0 110 -3,-1.0 2,-0.4 1,-0.2 -1,-0.2 0.507 109.1 52.6-101.9 -7.7 86.4 -117.0 2.2 70 70 A D S+ 0 0 22 -2,-0.4 4,-2.1 2,-0.2 -1,-0.1 0.772 98.2 56.1 -70.0 -27.1 91.8 -114.6 -1.4 72 72 A V H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.890 106.4 50.2 -71.1 -39.8 92.1 -110.8 -1.5 73 73 A T H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.923 111.7 48.4 -61.0 -43.9 91.6 -110.7 2.3 74 74 A R H X S+ 0 0 80 -4,-1.8 4,-2.3 -7,-0.3 -2,-0.2 0.906 111.0 50.8 -61.3 -43.5 94.3 -113.3 2.6 75 75 A L H X S+ 0 0 21 -4,-2.1 4,-0.7 2,-0.2 -2,-0.2 0.907 114.5 43.6 -59.3 -45.9 96.6 -111.3 0.3 76 76 A I H < S+ 0 0 10 -4,-2.5 3,-0.5 1,-0.2 4,-0.3 0.926 116.7 45.0 -67.3 -47.2 96.0 -108.1 2.4 77 77 A Q H >< S+ 0 0 19 -4,-2.9 3,-0.9 1,-0.2 -2,-0.2 0.840 110.9 52.3 -68.8 -37.0 96.4 -109.7 5.8 78 78 A D H 3< S+ 0 0 98 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.620 101.0 61.9 -79.8 -12.9 99.5 -111.8 5.0 79 79 A D T 3< S+ 0 0 78 -4,-0.7 -1,-0.2 -3,-0.5 2,-0.2 0.514 79.0 118.6 -86.1 -6.6 101.4 -108.7 3.6 80 80 A V < - 0 0 14 -3,-0.9 2,-0.9 -4,-0.3 36,-0.2 -0.415 66.9-134.2 -65.2 125.8 101.2 -107.0 7.0 81 81 A N > - 0 0 58 34,-2.6 4,-2.0 -2,-0.2 3,-0.1 -0.771 20.7-159.5 -72.9 107.5 104.5 -106.3 8.8 82 82 A E H > S+ 0 0 86 -2,-0.9 4,-2.1 1,-0.2 -1,-0.2 0.717 86.4 56.2 -70.8 -24.2 103.5 -107.6 12.2 83 83 A T H > S+ 0 0 93 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.896 110.5 45.3 -70.2 -42.0 106.2 -105.6 14.1 84 84 A A H > S+ 0 0 0 1,-0.2 4,-0.8 2,-0.2 32,-0.3 0.877 113.4 51.8 -65.0 -39.2 104.8 -102.4 12.6 85 85 A Y H >X S+ 0 0 15 -4,-2.0 4,-1.6 1,-0.2 3,-0.7 0.890 104.9 54.5 -63.4 -43.4 101.3 -103.6 13.4 86 86 A N H 3< S+ 0 0 90 -4,-2.1 4,-0.3 1,-0.2 -1,-0.2 0.807 103.7 56.7 -65.3 -29.9 102.2 -104.3 17.1 87 87 A Q H 3< S+ 0 0 116 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.803 121.3 26.2 -65.6 -33.0 103.4 -100.8 17.5 88 88 A I H X< S+ 0 0 1 -4,-0.8 3,-2.0 -3,-0.7 -32,-0.5 0.449 87.9 102.6-115.2 -3.0 100.1 -99.3 16.4 89 89 A K T 3< S+ 0 0 74 -4,-1.6 -32,-2.2 1,-0.3 -31,-0.3 0.751 86.2 47.4 -59.1 -27.5 97.4 -101.9 17.2 90 90 A N T 3 S+ 0 0 122 -4,-0.3 -1,-0.3 -34,-0.2 2,-0.3 0.376 87.7 110.4 -96.2 4.0 96.2 -100.1 20.4 91 91 A W < - 0 0 74 -3,-2.0 -35,-1.9 1,-0.1 -34,-0.2 -0.589 69.6-125.4 -74.8 136.9 96.0 -96.7 18.6 92 92 A S B > -B 55 0B 15 -2,-0.3 4,-1.9 -37,-0.2 -37,-0.2 -0.452 22.7-115.3 -71.2 156.7 92.5 -95.4 18.1 93 93 A I H > S+ 0 0 0 -39,-2.0 4,-2.6 -42,-0.5 -41,-0.2 0.815 120.5 59.6 -64.0 -30.9 91.6 -94.4 14.5 94 94 A S H > S+ 0 0 17 -42,-2.3 4,-2.1 -40,-0.3 -1,-0.2 0.928 106.6 45.8 -57.1 -48.1 91.3 -90.9 15.9 95 95 A E H > S+ 0 0 99 -43,-0.4 4,-1.6 2,-0.2 -2,-0.2 0.827 111.4 52.2 -66.5 -34.5 95.0 -91.1 16.9 96 96 A L H X S+ 0 0 1 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.902 108.2 51.0 -68.9 -42.6 96.0 -92.6 13.6 97 97 A R H X S+ 0 0 1 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.951 112.2 46.4 -54.6 -52.0 94.3 -89.7 11.7 98 98 A E H X S+ 0 0 20 -4,-2.1 4,-1.0 1,-0.2 -1,-0.2 0.800 110.8 53.6 -65.4 -31.1 96.2 -87.2 13.8 99 99 A Y H < S+ 0 0 51 -4,-1.6 -1,-0.2 2,-0.2 3,-0.2 0.909 109.5 47.2 -66.8 -45.5 99.4 -89.1 13.3 100 100 A V H < S+ 0 0 2 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.894 116.4 44.3 -62.8 -41.3 99.0 -89.0 9.5 101 101 A L H < S+ 0 0 1 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.652 88.9 112.5 -80.3 -17.7 98.2 -85.3 9.5 102 102 A S >< - 0 0 26 -4,-1.0 3,-1.1 -3,-0.2 1099,-0.0 -0.302 63.4-144.3 -64.1 136.5 100.9 -84.2 11.9 103 103 A D T 3 S+ 0 0 20 1,-0.2 -1,-0.1 -2,-0.0 -4,-0.1 0.568 102.2 62.6 -74.5 -10.1 103.8 -82.1 10.6 104 104 A E T 3 S+ 0 0 86 2,-0.1 2,-0.7 -5,-0.1 -1,-0.2 0.469 85.1 87.6 -91.3 -5.7 106.1 -84.0 13.0 105 105 A T S < S- 0 0 10 -3,-1.1 2,-0.1 -6,-0.1 -1,-0.0 -0.873 71.7-157.3 -95.1 112.5 105.3 -87.2 11.1 106 106 A S > - 0 0 57 -2,-0.7 4,-1.7 1,-0.1 5,-0.2 -0.270 31.3-102.7 -83.8 171.2 107.7 -87.5 8.2 107 107 A V H > S+ 0 0 72 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.854 123.6 51.5 -58.8 -37.3 107.5 -89.4 4.9 108 108 A D H > S+ 0 0 128 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.829 104.9 54.7 -72.9 -34.5 109.8 -92.1 6.4 109 109 A D H > S+ 0 0 69 1,-0.2 4,-2.1 2,-0.2 3,-0.4 0.916 111.0 45.9 -60.0 -45.7 107.7 -92.5 9.6 110 110 A I H X S+ 0 0 4 -4,-1.7 4,-2.8 1,-0.2 5,-0.2 0.818 101.9 67.1 -68.3 -33.1 104.6 -93.2 7.5 111 111 A A H < S+ 0 0 33 -4,-1.5 4,-0.3 1,-0.2 -1,-0.2 0.863 111.3 33.5 -55.4 -39.6 106.6 -95.6 5.3 112 112 A F H >< S+ 0 0 72 -4,-1.1 3,-0.8 -3,-0.4 4,-0.3 0.875 116.9 53.8 -84.5 -41.3 107.0 -98.0 8.2 113 113 A T H >< S+ 0 0 11 -4,-2.1 3,-1.7 1,-0.2 -2,-0.2 0.882 101.4 59.2 -61.9 -39.9 103.6 -97.3 9.9 114 114 A R G >< S+ 0 0 44 -4,-2.8 3,-1.3 1,-0.3 -1,-0.2 0.747 94.2 67.0 -63.7 -20.6 101.6 -98.0 6.7 115 115 A K G < S+ 0 0 102 -3,-0.8 -34,-2.6 -4,-0.3 -1,-0.3 0.668 96.8 54.2 -74.2 -18.0 103.1 -101.6 6.7 116 116 A G G < S+ 0 0 0 -3,-1.7 -1,-0.3 -4,-0.3 2,-0.2 0.301 96.7 92.9 -94.3 6.6 101.2 -102.4 9.9 117 117 A L < - 0 0 15 -3,-1.3 2,-0.3 -4,-0.1 -36,-0.1 -0.606 59.0-153.3 -97.1 156.9 97.9 -101.3 8.3 118 118 A T >> - 0 0 4 -2,-0.2 4,-1.9 -62,-0.1 3,-0.5 -0.810 37.6-102.2-115.1 168.3 95.2 -103.3 6.4 119 119 A S H 3> S+ 0 0 3 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.848 120.8 57.0 -58.2 -39.3 92.9 -101.8 3.8 120 120 A E H 3> S+ 0 0 1 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.859 108.0 47.6 -59.9 -37.7 89.9 -101.6 6.3 121 121 A V H <> S+ 0 0 0 -3,-0.5 4,-1.7 2,-0.2 -2,-0.2 0.870 109.5 53.7 -70.2 -38.2 92.1 -99.4 8.6 122 122 A V H X S+ 0 0 4 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.935 110.9 46.2 -58.6 -48.1 93.1 -97.2 5.6 123 123 A A H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.868 106.7 59.3 -62.3 -39.5 89.4 -96.7 4.8 124 124 A A H X S+ 0 0 0 -4,-1.9 4,-0.7 1,-0.2 -1,-0.2 0.852 105.5 48.2 -59.3 -39.4 88.6 -96.0 8.5 125 125 A V H >< S+ 0 0 0 -4,-1.7 3,-1.0 -3,-0.2 -1,-0.2 0.933 109.6 53.0 -65.5 -46.4 91.0 -93.1 8.6 126 126 A A H >< S+ 0 0 0 -4,-1.7 3,-1.2 1,-0.2 -2,-0.2 0.824 102.6 59.8 -57.4 -34.7 89.5 -91.7 5.3 127 127 A K H 3< S+ 0 0 1 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.745 106.0 45.4 -70.0 -26.2 86.0 -91.8 6.8 128 128 A I T << S+ 0 0 5 -3,-1.0 2,-0.4 -4,-0.7 -1,-0.3 0.091 97.0 99.0-105.0 22.5 86.9 -89.4 9.7 129 129 A C < - 0 0 5 -3,-1.2 2,-0.1 1081,-0.0 218,-0.0 -0.885 64.9-138.1-110.7 139.3 88.7 -87.0 7.4 130 130 A S > - 0 0 7 -2,-0.4 4,-2.1 1,-0.1 5,-0.2 -0.287 39.6 -92.9 -80.0 176.0 87.4 -83.7 6.0 131 131 A N H > S+ 0 0 4 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.922 129.0 45.0 -59.6 -44.9 88.1 -82.7 2.4 132 132 A A H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.791 109.3 57.2 -70.0 -28.7 91.1 -80.7 3.3 133 133 A D H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.905 108.7 46.7 -62.7 -44.6 92.3 -83.5 5.6 134 134 A L H X S+ 0 0 1 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.859 115.9 45.4 -66.7 -37.5 92.3 -85.9 2.6 135 135 A I H X S+ 0 0 0 -4,-1.8 4,-1.8 -5,-0.2 -2,-0.2 0.957 118.4 39.6 -70.9 -52.2 94.1 -83.3 0.5 136 136 A Y H X S+ 0 0 17 -4,-2.8 4,-1.6 1,-0.2 -2,-0.2 0.890 115.5 52.5 -66.8 -41.4 96.8 -82.3 3.0 137 137 A G H < S+ 0 0 0 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.878 110.9 47.0 -61.1 -41.5 97.3 -85.9 4.3 138 138 A A H >< S+ 0 0 1 -4,-1.4 3,-1.4 -5,-0.2 -1,-0.2 0.874 107.1 58.3 -66.9 -38.8 97.8 -87.3 0.7 139 139 A K H 3< S+ 0 0 60 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.865 104.5 49.6 -61.3 -38.8 100.2 -84.5 -0.1 140 140 A K T 3< S+ 0 0 32 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.379 103.8 66.8 -85.4 6.0 102.6 -85.4 2.7 141 141 A M S < S+ 0 0 1 -3,-1.4 -1,-0.2 -5,-0.1 215,-0.1 -0.536 71.7 178.2-120.4 67.5 102.5 -89.0 1.6 142 142 A P - 0 0 31 0, 0.0 2,-0.4 0, 0.0 11,-0.1 -0.350 13.9-158.9 -72.1 149.5 104.2 -89.1 -1.8 143 143 A V - 0 0 9 9,-0.2 2,-0.5 216,-0.1 214,-0.1 -0.978 7.5-163.9-129.8 118.7 104.7 -92.4 -3.7 144 144 A I + 0 0 87 -2,-0.4 2,-0.3 8,-0.1 8,-0.2 -0.892 13.0 168.9-110.0 125.7 107.4 -92.5 -6.3 145 145 A K E -C 151 0C 36 6,-2.1 6,-2.7 -2,-0.5 2,-0.4 -0.870 17.8-144.8-129.1 166.7 107.7 -95.2 -9.0 146 146 A K E +C 150 0C 75 -2,-0.3 136,-2.0 4,-0.2 135,-0.4 -0.973 31.8 143.7-143.2 122.4 109.8 -95.6 -12.2 147 147 A A S S- 0 0 0 2,-2.8 133,-1.8 -2,-0.4 136,-0.1 0.343 93.1 -41.7-109.9-109.6 109.2 -97.1 -15.6 148 148 A N S S+ 0 0 43 131,-0.2 2,-0.3 130,-0.1 130,-0.0 0.526 142.1 41.5 -93.3 -13.2 110.8 -95.2 -18.5 149 149 A T S S- 0 0 0 39,-0.1 -2,-2.8 38,-0.1 2,-0.5 -0.918 88.3-121.9-122.4 156.7 109.7 -92.1 -16.6 150 150 A T E -C 146 0C 20 -2,-0.3 2,-0.3 -4,-0.2 -4,-0.2 -0.870 31.8-171.4 -97.9 129.1 109.7 -91.3 -12.9 151 151 A I E +C 145 0C 0 -6,-2.7 -6,-2.1 -2,-0.5 239,-0.1 -0.903 55.1 37.1-121.0 145.9 106.3 -90.5 -11.5 152 152 A G + 0 0 5 -2,-0.3 -9,-0.2 237,-0.3 -1,-0.1 0.345 64.8 144.6 103.6 -5.8 105.2 -89.2 -8.0 153 153 A I > - 0 0 59 -8,-0.1 3,-2.0 -3,-0.1 -1,-0.3 -0.515 60.1-107.3 -66.7 125.2 108.1 -86.8 -7.3 154 154 A P T 3 S+ 0 0 78 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.339 110.3 36.3 -53.8 129.9 106.7 -83.7 -5.3 155 155 A G T 3 S+ 0 0 33 1,-0.4 267,-2.7 -3,-0.0 2,-0.3 0.314 104.0 97.2 100.9 -5.4 106.7 -80.8 -7.7 156 156 A T B < -d 422 0D 25 -3,-2.0 -1,-0.4 265,-0.3 2,-0.3 -0.786 48.8-171.4-114.5 161.3 105.7 -83.0 -10.6 157 157 A F - 0 0 1 265,-2.5 233,-0.2 -2,-0.3 2,-0.2 -0.922 10.9-167.6-153.1 121.2 102.4 -83.8 -12.4 158 158 A S E -e 390 0E 0 231,-1.9 233,-1.3 -2,-0.3 2,-0.3 -0.498 3.8-152.5-108.2 175.8 102.0 -86.5 -15.0 159 159 A A E -e 391 0E 0 231,-0.2 29,-1.7 -2,-0.2 27,-1.2 -0.973 14.7-131.5-154.3 133.8 99.3 -87.5 -17.5 160 160 A R E -ef 392 189E 0 231,-2.6 233,-1.7 -2,-0.3 2,-0.6 -0.759 22.3-140.4 -79.9 123.7 98.0 -90.6 -19.3 161 161 A L E -ef 393 190E 0 28,-2.7 30,-2.2 -2,-0.5 233,-0.2 -0.804 19.2-169.3 -81.4 120.7 97.5 -90.0 -23.0 162 162 A Q + 0 0 1 231,-2.4 2,-1.4 -2,-0.6 30,-0.2 -0.794 8.1 179.1-117.3 85.0 94.3 -91.9 -23.8 163 163 A P + 0 0 0 0, 0.0 2,-0.2 0, 0.0 14,-0.1 -0.591 16.3 173.0 -93.1 78.6 94.0 -92.0 -27.6 164 164 A N - 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0 0 17 -7,-2.4 3,-1.0 -2,-0.2 -1,-0.1 -0.179 29.9 -96.4 -71.9 175.1 106.0 -72.6 -25.8 444 444 A K T 3 S+ 0 0 142 1,-0.2 -1,-0.1 366,-0.1 -8,-0.1 0.866 125.6 52.1 -64.5 -35.3 104.2 -70.6 -28.5 445 445 A R T 3 S+ 0 0 142 -10,-0.3 3,-0.5 2,-0.0 -1,-0.2 0.516 91.0 106.7 -79.2 -4.7 104.5 -73.5 -31.0 446 446 A A < + 0 0 4 -3,-1.0 -263,-0.2 1,-0.2 -264,-0.1 -0.260 61.0 43.4 -74.0 161.0 103.0 -76.0 -28.5 447 447 A G S S+ 0 0 2 -265,-2.1 45,-0.3 1,-0.2 -1,-0.2 0.654 87.9 111.0 78.4 17.2 99.4 -77.4 -28.7 448 448 A D > - 0 0 6 -3,-0.5 3,-1.7 -266,-0.2 -1,-0.2 -0.939 52.3-164.6-128.5 104.8 99.9 -78.0 -32.4 449 449 A P G > S+ 0 0 0 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.674 84.0 75.0 -65.0 -16.3 100.2 -81.6 -33.6 450 450 A S G > S+ 0 0 0 1,-0.2 3,-1.8 2,-0.2 26,-0.1 0.607 74.0 83.4 -69.6 -13.3 101.6 -80.5 -37.0 451 451 A L G < S+ 0 0 34 -3,-1.7 -1,-0.2 1,-0.3 -5,-0.0 0.765 84.7 57.8 -59.1 -27.7 104.9 -79.8 -35.1 452 452 A F G < 0 0 9 -3,-1.3 -1,-0.3 -4,-0.2 -2,-0.2 0.395 360.0 360.0 -84.5 2.1 105.7 -83.5 -35.5 453 453 A F < 0 0 97 -3,-1.8 24,-0.1 -4,-0.0 -3,-0.0 -0.907 360.0 360.0-120.7 360.0 105.4 -83.4 -39.3 454 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 455 44 B A 0 0 139 0, 0.0 2,-0.4 0, 0.0 257,-0.1 0.000 360.0 360.0 360.0 151.4 76.9 -66.6 -37.7 456 45 B L - 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0 0 64 -3,-0.6 2,-0.5 -4,-0.2 -3,-0.1 -0.353 44.5-151.1 -67.9 127.8 86.8 -76.2 -37.3 467 56 B I + 0 0 53 -2,-0.2 24,-0.2 1,-0.1 23,-0.1 -0.880 19.0 172.8 -97.9 124.3 90.5 -75.8 -37.0 468 57 B G + 0 0 3 22,-2.3 2,-0.4 -2,-0.5 25,-0.4 0.422 34.4 123.2-111.6 -2.3 91.5 -73.4 -34.2 469 58 B V - 0 0 16 21,-1.1 2,-0.3 23,-0.2 23,-0.1 -0.495 54.8-143.0 -66.4 115.8 95.3 -73.9 -34.2 470 59 B E S S- 0 0 130 -2,-0.4 -2,-0.1 1,-0.2 -1,-0.1 -0.660 73.8 -1.1 -85.2 137.9 96.8 -70.4 -34.7 471 60 B N S S- 0 0 144 -2,-0.3 -1,-0.2 1,-0.1 2,-0.0 0.951 86.7-156.0 45.4 66.9 100.0 -70.2 -36.8 472 61 B P - 0 0 50 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 -0.333 20.1-135.6 -70.7 150.8 100.4 -73.9 -37.6 473 62 B H S S+ 0 0 127 1,-0.3 2,-0.2 -28,-0.2 -22,-0.1 0.856 100.6 6.3 -69.8 -36.9 103.7 -75.4 -38.5 474 63 B R S >> S- 0 0 112 1,-0.1 3,-1.1 2,-0.0 4,-1.0 -0.735 70.0-171.8-152.3 93.9 102.1 -77.4 -41.4 475 64 B A H 3> S+ 0 0 56 -3,-0.3 4,-1.1 1,-0.3 5,-0.1 0.668 82.2 59.9 -71.1 -22.0 98.4 -76.5 -42.0 476 65 B D H 3> S+ 0 0 98 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.748 101.5 56.9 -75.9 -23.9 97.6 -79.3 -44.5 477 66 B V H <> S+ 0 0 11 -3,-1.1 4,-1.9 2,-0.2 -2,-0.2 0.873 101.7 56.3 -69.7 -38.3 98.6 -81.8 -41.9 478 67 B L H X S+ 0 0 2 -4,-1.0 4,-2.2 2,-0.2 -2,-0.2 0.861 106.8 48.3 -62.9 -38.7 96.0 -80.4 -39.5 479 68 B T H X S+ 0 0 81 -4,-1.1 4,-1.7 2,-0.2 -1,-0.2 0.894 112.4 49.3 -66.6 -40.4 93.2 -80.9 -42.1 480 69 B E H X S+ 0 0 129 -4,-1.4 4,-0.9 1,-0.2 -2,-0.2 0.794 112.5 48.6 -67.3 -30.3 94.4 -84.5 -42.6 481 70 B L H X S+ 0 0 15 -4,-1.9 4,-0.5 2,-0.2 -2,-0.2 0.855 110.4 50.0 -76.4 -38.1 94.4 -84.9 -38.8 482 71 B R H < S+ 0 0 26 -4,-2.2 3,-0.3 1,-0.2 -2,-0.2 0.807 112.1 48.4 -70.0 -31.3 90.9 -83.5 -38.4 483 72 B R H < S+ 0 0 212 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.773 104.5 59.7 -79.0 -26.7 89.5 -85.8 -41.1 484 73 B S H < S+ 0 0 27 -4,-0.9 2,-0.3 -5,-0.1 -1,-0.2 0.607 110.0 38.2 -79.6 -11.7 91.2 -88.9 -39.7 485 74 B T < - 0 0 8 -4,-0.5 4,-0.1 -3,-0.3 -320,-0.1 -0.969 54.7-150.4-143.2 153.8 89.3 -88.7 -36.4 486 75 B V S S+ 0 0 89 -2,-0.3 -1,-0.1 190,-0.1 -321,-0.1 0.597 72.0 108.4 -93.0 -16.2 86.0 -87.8 -34.7 487 76 B A S S- 0 0 0 1,-0.1 2,-2.7 -323,-0.1 -2,-0.1 -0.273 90.7 -98.8 -61.7 148.0 87.8 -86.8 -31.6 488 77 B R + 0 0 4 -93,-0.6 3,-0.4 -90,-0.3 2,-0.2 -0.347 69.0 153.8 -74.4 68.1 87.9 -83.0 -30.8 489 78 B V + 0 0 0 -2,-2.7 -313,-0.1 1,-0.2 -4,-0.0 -0.500 46.5 26.1 -98.3 158.4 91.5 -82.5 -32.2 490 79 B C S S+ 0 0 0 -2,-0.2 -22,-2.3 1,-0.1 -21,-1.1 0.657 71.7 131.3 67.6 22.7 93.2 -79.4 -33.7 491 80 B T - 0 0 5 -3,-0.4 8,-0.2 1,-0.3 11,-0.2 0.537 55.3-146.9 -83.3 -7.2 91.0 -76.9 -31.8 492 81 B G - 0 0 3 -45,-0.3 2,-0.3 -23,-0.1 7,-0.3 -0.361 13.8-105.0 76.0-154.7 94.0 -74.9 -30.7 493 82 B R - 0 0 35 -25,-0.4 2,-0.4 5,-0.2 -23,-0.2 -0.987 5.1-134.8-164.8 161.2 94.3 -73.1 -27.4 494 83 B A B > S-P 497 0K 5 3,-3.3 3,-2.0 -2,-0.3 312,-0.0 -0.916 88.6 -47.7-124.5 101.8 94.2 -69.8 -25.5 495 84 B G T 3 S- 0 0 3 -2,-0.4 314,-0.2 1,-0.3 -81,-0.1 -0.603 120.8 -31.2 64.6-128.8 97.2 -70.1 -23.1 496 85 B P T 3 S+ 0 0 0 0, 0.0 -82,-0.4 0, 0.0 -1,-0.3 0.293 126.1 93.2 -95.3 9.1 96.7 -73.6 -21.6 497 86 B R B < S-P 494 0K 0 -3,-2.0 -3,-3.3 311,-0.2 -86,-0.0 -0.663 84.2 -96.3-102.9 154.5 92.9 -73.2 -21.9 498 87 B P - 0 0 12 0, 0.0 -5,-0.2 0, 0.0 -1,-0.1 -0.287 45.3-100.4 -62.7 153.1 90.5 -74.3 -24.7 499 88 B R > - 0 0 36 -7,-0.3 4,-2.1 -8,-0.2 5,-0.2 -0.408 33.3-111.7 -70.6 153.9 89.5 -71.8 -27.4 500 89 B T H > S+ 0 0 0 1,-0.2 4,-2.6 301,-0.2 5,-0.2 0.895 114.3 49.2 -56.7 -48.5 86.0 -70.2 -26.9 501 90 B Q H > S+ 0 0 44 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.857 111.0 50.9 -63.3 -37.1 84.3 -71.8 -30.0 502 91 B A H > S+ 0 0 4 2,-0.2 4,-1.8 -11,-0.2 -1,-0.2 0.892 111.8 47.5 -65.0 -42.6 85.6 -75.3 -28.9 503 92 B L H X S+ 0 0 22 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.865 112.1 50.2 -64.7 -40.1 84.2 -74.7 -25.4 504 93 B L H X S+ 0 0 6 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.918 110.7 48.4 -64.5 -44.1 80.9 -73.5 -26.9 505 94 B R H X S+ 0 0 21 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.841 111.1 52.3 -65.2 -35.6 80.6 -76.5 -29.1 506 95 B F H X S+ 0 0 7 -4,-1.8 4,-1.4 2,-0.2 -1,-0.2 0.909 111.3 45.4 -62.5 -47.6 81.4 -78.7 -26.1 507 96 B L H X S+ 0 0 41 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.825 112.0 52.3 -68.7 -34.7 78.7 -77.1 -24.0 508 97 B A H X S+ 0 0 0 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.908 110.9 46.6 -66.4 -44.8 76.2 -77.3 -26.9 509 98 B D H X S+ 0 0 4 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.766 109.5 55.8 -69.8 -26.7 76.9 -81.1 -27.4 510 99 B H H X S+ 0 0 21 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.913 104.5 51.7 -70.7 -42.2 76.6 -81.6 -23.6 511 100 B S H X S+ 0 0 4 -4,-1.8 4,-1.2 1,-0.2 -2,-0.2 0.856 112.6 46.0 -60.7 -38.5 73.1 -80.1 -23.5 512 101 B R H X S+ 0 0 141 -4,-1.4 4,-1.5 2,-0.2 -1,-0.2 0.844 111.3 52.9 -71.3 -36.3 71.9 -82.4 -26.3 513 102 B S H X S+ 0 0 2 -4,-1.6 4,-0.5 130,-0.2 -2,-0.2 0.841 105.5 54.6 -67.4 -35.1 73.6 -85.3 -24.5 514 103 B K H >X S+ 0 0 52 -4,-2.2 4,-0.7 1,-0.2 3,-0.6 0.874 110.3 45.7 -66.3 -38.2 71.7 -84.6 -21.3 515 104 B D H 3< S+ 0 0 81 -4,-1.2 4,-0.5 1,-0.2 3,-0.2 0.803 105.1 62.6 -71.6 -31.4 68.4 -84.7 -23.2 516 105 B T H 3< S+ 0 0 8 -4,-1.5 66,-0.6 1,-0.2 67,-0.4 0.597 98.4 56.2 -74.6 -12.1 69.3 -87.9 -25.0 517 106 B V H << S+ 0 0 6 -3,-0.6 -1,-0.2 -4,-0.5 -2,-0.2 0.849 107.8 41.7 -91.4 -35.8 69.5 -89.9 -21.8 518 107 B L S < S+ 0 0 92 -4,-0.7 -2,-0.2 -3,-0.2 -1,-0.1 0.377 89.6 112.3 -95.3 5.3 66.1 -89.4 -20.2 519 108 B K - 0 0 85 -4,-0.5 2,-0.3 22,-0.1 63,-0.3 -0.467 57.6-140.0 -77.8 152.0 64.2 -89.8 -23.4 520 109 B E - 0 0 68 -2,-0.1 -2,-0.1 62,-0.1 -1,-0.0 -0.875 14.0-116.2-118.4 142.8 61.9 -92.8 -23.9 521 110 B V - 0 0 0 -2,-0.3 57,-0.1 1,-0.1 5,-0.0 -0.665 46.3-111.7 -71.6 122.7 61.1 -95.1 -26.9 522 111 B P >> - 0 0 77 0, 0.0 4,-1.2 0, 0.0 3,-0.7 -0.271 12.4-128.3 -59.1 143.1 57.4 -94.5 -27.7 523 112 B E H 3> S+ 0 0 110 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.759 110.2 57.0 -61.0 -27.2 55.0 -97.5 -27.0 524 113 B E H 3> S+ 0 0 144 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.788 99.8 57.3 -75.4 -30.4 53.8 -97.1 -30.5 525 114 B W H <> S+ 0 0 63 -3,-0.7 4,-0.7 2,-0.2 -2,-0.2 0.898 107.9 44.7 -70.7 -42.9 57.2 -97.5 -32.1 526 115 B V H ><>S+ 0 0 2 -4,-1.2 5,-1.9 1,-0.2 3,-0.6 0.893 112.7 52.1 -66.8 -40.9 57.9 -101.0 -30.6 527 116 B K H ><5S+ 0 0 161 -4,-1.2 3,-0.8 1,-0.2 -1,-0.2 0.812 106.7 54.6 -64.1 -31.9 54.4 -102.2 -31.4 528 117 B A H 3<5S+ 0 0 79 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.695 101.8 57.6 -75.4 -21.0 55.0 -101.0 -35.1 529 118 B Q T <<5S- 0 0 62 -4,-0.7 -1,-0.2 -3,-0.6 -2,-0.2 0.455 117.8-113.3 -86.1 -2.5 58.2 -103.2 -35.2 530 119 B G T < 5 + 0 0 70 -3,-0.8 2,-0.3 1,-0.3 -3,-0.2 0.760 69.2 143.6 76.3 27.7 56.1 -106.2 -34.4 531 120 B L < - 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0 0 15 -15,-0.3 -1,-0.1 -13,-0.2 3,-0.1 -0.396 21.9-139.6 -71.6 151.1 67.5 -69.6 -19.0 746 39 C A S S+ 0 0 95 1,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.778 83.1 10.2 -80.1 -30.0 64.5 -71.9 -19.8 747 40 C S S > S- 0 0 40 1,-0.1 4,-1.5 0, 0.0 -1,-0.1 -0.906 74.6-109.3-142.6 169.1 66.8 -74.7 -21.0 748 41 C S H > S+ 0 0 54 -2,-0.3 4,-1.8 2,-0.2 -237,-0.1 0.811 119.8 55.1 -68.2 -32.0 70.4 -75.8 -21.2 749 42 C Q H > S+ 0 0 25 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.856 107.3 48.6 -68.6 -37.1 70.3 -75.2 -25.0 750 43 C E H > S+ 0 0 25 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.817 108.0 55.4 -72.6 -32.9 69.1 -71.6 -24.4 751 44 C R H X S+ 0 0 26 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.929 111.4 43.5 -61.0 -46.9 71.9 -71.1 -21.9 752 45 C V H X S+ 0 0 7 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.872 111.9 54.3 -67.4 -39.0 74.5 -72.2 -24.5 753 46 C A H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.925 109.6 47.1 -58.3 -47.2 72.7 -70.0 -27.1 754 47 C A H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -23,-0.2 0.865 110.5 53.4 -62.7 -38.6 73.0 -67.0 -24.8 755 48 C K H X S+ 0 0 5 -4,-2.0 4,-2.1 -25,-0.2 -2,-0.2 0.901 111.6 44.9 -61.4 -43.4 76.6 -67.8 -24.3 756 49 C Q H X S+ 0 0 11 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.910 113.3 49.5 -68.9 -43.8 77.3 -67.9 -28.0 757 50 C V H X S+ 0 0 7 -4,-2.7 4,-0.9 1,-0.2 3,-0.3 0.933 113.5 47.3 -58.5 -47.7 75.3 -64.7 -28.6 758 51 C L H >< S+ 0 0 0 -4,-2.7 3,-0.6 1,-0.2 42,-0.5 0.891 108.8 54.7 -59.0 -43.5 77.3 -63.0 -25.8 759 52 C S H 3< S+ 0 0 0 -4,-2.1 42,-2.3 1,-0.2 43,-0.3 0.799 108.4 48.5 -63.8 -31.1 80.6 -64.3 -27.1 760 53 C E H 3< S+ 0 0 120 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.638 92.5 96.8 -85.9 -17.1 80.0 -62.8 -30.6 761 54 C M S << S- 0 0 4 -4,-0.9 39,-2.4 -3,-0.6 40,-0.3 -0.412 75.7-121.7 -69.5 149.3 79.0 -59.4 -29.2 762 55 C T B > -Z 799 0O 31 37,-0.3 4,-1.4 38,-0.1 37,-0.3 -0.437 19.6-109.2 -89.5 166.0 81.7 -56.8 -29.1 763 56 C V H > S+ 0 0 0 35,-2.3 4,-3.0 32,-0.5 3,-0.3 0.903 121.6 55.9 -54.5 -44.1 83.1 -54.8 -26.1 764 57 C A H > S+ 0 0 13 32,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.857 102.0 56.0 -57.6 -40.5 81.3 -51.7 -27.5 765 58 C D H 4 S+ 0 0 37 31,-0.3 4,-0.3 1,-0.2 -1,-0.2 0.883 115.3 37.4 -58.9 -41.7 78.0 -53.6 -27.5 766 59 C I H >< S+ 0 0 0 -4,-1.4 3,-0.5 -3,-0.3 -2,-0.2 0.864 115.2 52.6 -81.4 -40.2 78.3 -54.3 -23.7 767 60 C R H 3< S+ 0 0 20 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.888 110.6 48.2 -62.3 -40.6 80.0 -51.0 -22.7 768 61 C N T 3< S+ 0 0 102 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.578 110.8 54.7 -78.9 -10.5 77.2 -49.0 -24.4 769 62 C N < + 0 0 69 -3,-0.5 -1,-0.2 -4,-0.3 -2,-0.1 -0.539 68.7 175.5-124.6 68.9 74.4 -51.0 -22.8 770 63 C P - 0 0 28 0, 0.0 -45,-0.1 0, 0.0 4,-0.1 -0.333 42.2-115.2 -67.5 157.8 74.8 -51.1 -19.0 771 64 C V S S+ 0 0 7 1,-0.1 2,-0.4 -47,-0.1 -46,-0.0 0.761 105.3 39.1 -69.0 -27.0 72.1 -52.9 -17.0 772 65 C I S S- 0 0 11 5,-0.1 -1,-0.1 2,-0.0 5,-0.1 -0.993 101.5-103.8-123.7 135.9 71.0 -49.6 -15.4 773 66 C A >> - 0 0 42 -2,-0.4 4,-1.1 1,-0.1 3,-0.5 -0.087 18.0-124.9 -61.8 151.7 71.0 -46.3 -17.3 774 67 C Y T 34 S+ 0 0 81 1,-0.2 3,-0.4 2,-0.2 7,-0.3 0.898 108.4 50.8 -59.3 -45.3 73.7 -43.7 -17.0 775 68 C E T 34 S+ 0 0 144 1,-0.2 -1,-0.2 5,-0.1 3,-0.1 0.661 115.9 40.8 -72.6 -17.5 71.2 -40.8 -16.2 776 69 C D T <4 S+ 0 0 123 -3,-0.5 2,-0.5 1,-0.2 -1,-0.2 0.554 109.1 59.7-107.4 -12.2 69.4 -42.8 -13.4 777 70 C D X - 0 0 3 -4,-1.1 4,-2.1 -3,-0.4 -1,-0.2 -0.953 51.8-165.1-133.0 117.2 72.4 -44.5 -11.6 778 71 C C H > S+ 0 0 21 -2,-0.5 4,-2.1 2,-0.2 -1,-0.1 0.745 95.9 56.2 -67.8 -25.2 75.4 -42.9 -9.9 779 72 C V H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.920 107.8 47.6 -72.2 -44.1 77.2 -46.2 -9.9 780 73 C T H > S+ 0 0 1 -7,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.918 112.3 50.9 -58.6 -44.4 76.8 -46.6 -13.6 781 74 C R H X S+ 0 0 80 -4,-2.1 4,-2.6 -7,-0.3 -2,-0.2 0.926 110.5 47.9 -58.7 -47.7 78.1 -42.9 -14.0 782 75 C L H X S+ 0 0 17 -4,-2.1 4,-0.9 1,-0.2 -1,-0.2 0.882 113.7 47.8 -62.6 -41.3 81.1 -43.6 -11.8 783 76 C I H < S+ 0 0 11 -4,-2.4 3,-0.5 2,-0.2 4,-0.5 0.934 115.3 44.3 -62.8 -48.8 81.9 -46.8 -13.7 784 77 C Q H >< S+ 0 0 20 -4,-2.8 3,-0.8 1,-0.2 -2,-0.2 0.860 112.0 51.3 -67.6 -38.9 81.6 -45.1 -17.2 785 78 C D H 3< S+ 0 0 104 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.648 102.9 60.5 -75.5 -17.1 83.5 -41.9 -16.2 786 79 C D T 3< S+ 0 0 74 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.594 80.2 115.7 -85.3 -13.2 86.5 -43.9 -14.9 787 80 C V < - 0 0 16 -3,-0.8 2,-0.8 -4,-0.5 36,-0.2 -0.301 68.3-131.0 -59.0 132.1 87.1 -45.6 -18.3 788 81 C N > - 0 0 54 34,-3.1 4,-2.4 1,-0.1 5,-0.1 -0.832 19.0-159.3 -79.3 112.6 90.3 -44.9 -20.1 789 82 C E H > S+ 0 0 85 -2,-0.8 4,-2.5 2,-0.2 -1,-0.1 0.790 87.4 55.9 -70.7 -30.4 89.0 -44.0 -23.6 790 83 C T H > S+ 0 0 91 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.904 111.6 44.5 -65.6 -43.2 92.3 -44.7 -25.4 791 84 C A H > S+ 0 0 1 2,-0.2 4,-0.9 1,-0.2 3,-0.4 0.918 113.5 51.5 -64.1 -45.1 92.3 -48.2 -23.9 792 85 C Y H >X S+ 0 0 14 -4,-2.4 4,-1.2 1,-0.2 3,-0.8 0.895 105.8 54.3 -58.0 -44.9 88.6 -48.6 -24.7 793 86 C N H 3< S+ 0 0 82 -4,-2.5 4,-0.3 1,-0.2 -1,-0.2 0.757 103.7 56.1 -64.5 -27.5 89.1 -47.6 -28.4 794 87 C Q H 3< S+ 0 0 119 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.787 121.2 27.3 -71.3 -28.5 91.8 -50.2 -28.9 795 88 C I H X< S+ 0 0 1 -4,-0.9 3,-1.5 -3,-0.8 -32,-0.5 0.379 87.6 101.6-118.1 1.2 89.5 -53.0 -27.8 796 89 C K T 3< S+ 0 0 63 -4,-1.2 -32,-2.3 1,-0.3 -31,-0.3 0.790 85.8 48.0 -64.7 -29.4 85.9 -51.8 -28.6 797 90 C N T 3 S+ 0 0 124 -4,-0.3 -1,-0.3 -34,-0.2 2,-0.2 0.407 88.5 109.4 -91.3 1.0 85.6 -53.9 -31.8 798 91 C W S < S- 0 0 73 -3,-1.5 -35,-2.3 1,-0.1 -34,-0.2 -0.561 70.9-124.4 -72.8 139.0 86.9 -57.1 -30.1 799 92 C S B > -Z 762 0O 16 -37,-0.3 4,-1.8 -2,-0.2 -37,-0.3 -0.471 22.0-115.0 -73.0 156.5 84.3 -59.8 -29.5 800 93 C I H > S+ 0 0 0 -39,-2.4 4,-2.0 -42,-0.5 -41,-0.2 0.821 120.4 58.4 -60.7 -32.0 83.8 -61.0 -25.9 801 94 C S H > S+ 0 0 17 -42,-2.3 4,-2.0 -40,-0.3 -1,-0.2 0.896 105.8 47.5 -61.0 -44.2 85.2 -64.3 -27.2 802 95 C E H > S+ 0 0 98 -43,-0.3 4,-1.8 2,-0.2 -2,-0.2 0.832 110.5 51.9 -67.8 -34.2 88.4 -62.6 -28.3 803 96 C L H X S+ 0 0 1 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.862 107.7 52.1 -71.7 -36.6 88.7 -60.8 -24.9 804 97 C R H X S+ 0 0 1 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.945 111.8 46.0 -59.4 -50.3 88.4 -64.1 -23.1 805 98 C E H X S+ 0 0 23 -4,-2.0 4,-1.3 1,-0.2 -2,-0.2 0.834 111.5 53.9 -63.0 -33.9 91.1 -65.6 -25.2 806 99 C Y H < S+ 0 0 49 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.907 109.3 46.4 -66.1 -45.6 93.2 -62.5 -24.6 807 100 C V H < S+ 0 0 2 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.910 116.4 44.7 -63.9 -41.8 93.0 -62.7 -20.8 808 101 C L H < S+ 0 0 1 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.702 89.3 110.6 -77.8 -21.0 93.8 -66.4 -20.8 809 102 C S >< - 0 0 27 -4,-1.3 3,-0.9 -5,-0.2 -315,-0.0 -0.255 63.8-144.3 -62.1 137.9 96.7 -66.2 -23.3 810 103 C D T 3 S+ 0 0 34 1,-0.2 -1,-0.1 -368,-0.0 -4,-0.1 0.620 101.5 63.7 -76.1 -12.9 100.2 -66.8 -22.0 811 104 C E T 3 S+ 0 0 114 2,-0.1 2,-0.7 -367,-0.0 -1,-0.2 0.572 85.3 88.0 -84.1 -12.3 101.5 -64.1 -24.4 812 105 C T S < S- 0 0 12 -3,-0.9 2,-0.1 -6,-0.2 -1,-0.0 -0.812 72.3-155.4 -89.2 112.8 99.3 -61.6 -22.5 813 106 C S > - 0 0 55 -2,-0.7 4,-1.9 1,-0.1 5,-0.2 -0.285 30.2-104.4 -83.3 168.9 101.5 -60.2 -19.7 814 107 C V H > S+ 0 0 76 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.877 124.3 50.5 -56.4 -40.2 100.4 -58.6 -16.4 815 108 C D H > S+ 0 0 130 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.786 104.7 57.2 -71.5 -29.9 101.3 -55.2 -17.8 816 109 C D H > S+ 0 0 70 2,-0.2 4,-2.3 1,-0.2 3,-0.4 0.937 111.0 42.2 -63.8 -47.6 99.2 -55.9 -21.0 817 110 C I H X S+ 0 0 2 -4,-1.9 4,-3.0 1,-0.2 5,-0.3 0.871 104.3 68.1 -67.6 -35.7 96.1 -56.5 -18.8 818 111 C A H < S+ 0 0 33 -4,-1.9 4,-0.3 1,-0.2 -1,-0.2 0.872 112.2 30.9 -49.0 -43.5 97.0 -53.5 -16.6 819 112 C F H >< S+ 0 0 76 -4,-1.2 3,-1.0 -3,-0.4 4,-0.3 0.886 117.6 55.6 -83.5 -42.2 96.3 -51.2 -19.6 820 113 C T H >< S+ 0 0 10 -4,-2.3 3,-1.7 1,-0.2 -2,-0.2 0.872 100.3 59.1 -58.1 -41.1 93.5 -53.3 -21.3 821 114 C R G >< S+ 0 0 43 -4,-3.0 3,-1.2 1,-0.3 -1,-0.2 0.709 92.6 68.8 -66.5 -19.4 91.3 -53.4 -18.1 822 115 C K G < S+ 0 0 108 -3,-1.0 -34,-3.1 -4,-0.3 -1,-0.3 0.666 96.0 54.2 -72.9 -17.5 91.1 -49.6 -18.0 823 116 C G G < S+ 0 0 0 -3,-1.7 -1,-0.3 -4,-0.3 2,-0.2 0.324 96.6 94.1 -94.3 6.0 89.0 -49.7 -21.2 824 117 C L < - 0 0 16 -3,-1.2 2,-0.3 -4,-0.1 -36,-0.1 -0.618 58.0-154.6 -96.7 154.7 86.5 -52.1 -19.6 825 118 C T > - 0 0 4 -2,-0.2 4,-2.1 -62,-0.1 3,-0.4 -0.785 37.3-102.7-112.8 170.6 83.3 -51.6 -17.7 826 119 C S H > S+ 0 0 3 -2,-0.3 4,-2.6 1,-0.2 5,-0.1 0.830 120.6 56.3 -62.7 -37.1 81.8 -54.0 -15.1 827 120 C E H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.860 108.7 48.1 -61.1 -37.6 79.3 -55.4 -17.6 828 121 C V H > S+ 0 0 0 -3,-0.4 4,-2.0 2,-0.2 -2,-0.2 0.888 110.4 51.4 -69.5 -41.9 82.2 -56.3 -19.9 829 122 C V H X S+ 0 0 4 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.924 112.7 46.7 -55.8 -46.8 84.0 -57.9 -17.0 830 123 C A H X S+ 0 0 0 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.893 108.2 55.7 -64.4 -42.0 80.9 -59.9 -16.2 831 124 C A H X S+ 0 0 0 -4,-2.3 4,-0.7 1,-0.2 -1,-0.2 0.886 106.6 49.5 -59.2 -44.0 80.4 -60.9 -19.9 832 125 C V H >< S+ 0 0 1 -4,-2.0 3,-0.9 1,-0.2 -1,-0.2 0.905 109.6 52.7 -62.3 -41.9 83.9 -62.4 -20.1 833 126 C A H >< S+ 0 0 0 -4,-1.6 3,-1.4 1,-0.2 -1,-0.2 0.815 100.3 62.5 -62.5 -33.6 83.3 -64.4 -16.9 834 127 C K H 3< S+ 0 0 0 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.710 105.6 44.7 -69.3 -23.5 80.0 -65.8 -18.2 835 128 C I T << S+ 0 0 5 -3,-0.9 2,-0.4 -4,-0.7 -1,-0.3 0.095 95.3 100.5-107.4 19.8 81.8 -67.7 -21.0 836 129 C C < - 0 0 5 -3,-1.4 2,-0.1 4,-0.0 218,-0.0 -0.897 65.3-138.2-106.1 134.7 84.6 -69.0 -18.8 837 130 C S > - 0 0 6 -2,-0.4 4,-2.1 1,-0.1 3,-0.2 -0.261 38.7 -92.8 -75.6 173.8 84.7 -72.5 -17.4 838 131 C N H > S+ 0 0 4 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.892 128.7 46.1 -58.8 -41.9 85.8 -73.1 -13.8 839 132 C A H > S+ 0 0 1 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.779 109.0 56.7 -71.4 -28.0 89.5 -73.7 -14.8 840 133 C D H > S+ 0 0 1 2,-0.2 4,-2.5 -3,-0.2 5,-0.2 0.893 107.7 48.4 -64.1 -43.3 89.3 -70.6 -17.0 841 134 C L H X S+ 0 0 1 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.857 115.4 44.7 -65.4 -37.8 88.2 -68.5 -14.0 842 135 C I H X S+ 0 0 0 -4,-1.6 4,-1.8 -5,-0.2 -2,-0.2 0.957 118.9 39.3 -73.0 -53.0 91.0 -70.0 -11.9 843 136 C Y H X S+ 0 0 6 -4,-2.8 4,-1.6 2,-0.2 -2,-0.2 0.903 116.3 52.3 -64.0 -42.8 93.8 -69.7 -14.4 844 137 C G H < S+ 0 0 0 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.911 111.2 45.6 -60.3 -46.0 92.6 -66.3 -15.6 845 138 C A H >< S+ 0 0 1 -4,-1.5 3,-1.3 -5,-0.2 -1,-0.2 0.852 107.8 59.6 -64.8 -35.5 92.5 -64.8 -12.1 846 139 C K H 3< S+ 0 0 61 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.853 103.3 49.6 -63.7 -37.4 95.9 -66.2 -11.3 847 140 C K T 3< S+ 0 0 32 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.353 103.7 67.2 -86.8 7.7 97.7 -64.4 -14.1 848 141 C M S < S+ 0 0 3 -3,-1.3 -1,-0.2 -5,-0.1 215,-0.1 -0.583 71.0 177.2-121.9 69.8 96.0 -61.1 -12.9 849 142 C P - 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