==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 25-MAR-11 3R9T . COMPND 2 MOLECULE: ECHA1_1; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM AVIUM SUBSP. PARATUBERCU . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 781 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28920.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 554 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 87 11.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 41 5.2 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 . 7 0.9 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 . 36 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 103 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 237 30.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 3 0 4 6 0 4 3 1 3 3 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 5 3 6 0 3 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 . 1 6 0 0 0 3 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 . 5 0 2 0 3 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 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 4 A A 0 0 130 0, 0.0 17,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 140.3 66.7 47.4 29.3 2 5 A P - 0 0 82 0, 0.0 28,-0.1 0, 0.0 3,-0.1 -0.114 360.0-121.9 -59.1 157.9 65.6 44.6 31.7 3 6 A G S S+ 0 0 4 26,-0.6 15,-3.1 1,-0.2 2,-0.3 0.707 94.8 22.9 -76.5 -20.6 62.0 43.4 31.4 4 7 A A E -A 17 0A 10 25,-0.3 2,-0.3 13,-0.3 13,-0.2 -0.995 68.5-148.5-142.6 147.9 61.4 44.2 35.0 5 8 A L E -A 16 0A 81 11,-2.5 11,-3.2 -2,-0.3 2,-0.4 -0.833 9.4-159.8-107.3 152.0 62.9 46.6 37.6 6 9 A A E +A 15 0A 61 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -1.000 16.4 164.2-133.5 131.0 63.1 46.0 41.3 7 10 A E E -A 14 0A 62 7,-2.3 7,-2.8 -2,-0.4 2,-0.4 -0.902 32.2-116.8-134.4 164.5 63.6 48.7 44.0 8 11 A R E -A 13 0A 109 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.887 18.0-175.6-105.3 139.0 63.1 48.8 47.8 9 12 A R E > S-A 12 0A 41 3,-2.9 3,-1.0 -2,-0.4 2,-0.4 -0.834 72.7 -61.4-126.2 89.4 60.7 51.1 49.6 10 13 A G T 3 S- 0 0 63 -2,-0.4 -1,-0.0 1,-0.2 36,-0.0 -0.580 119.4 -15.3 66.0-124.6 61.5 50.3 53.2 11 14 A N T 3 S+ 0 0 55 -2,-0.4 37,-3.1 -3,-0.1 38,-1.0 0.126 121.2 94.9 -95.3 17.6 60.9 46.6 53.8 12 15 A V E < -Ab 9 49A 3 -3,-1.0 -3,-2.9 35,-0.2 2,-0.6 -0.937 65.4-145.9-113.1 129.1 58.9 46.3 50.6 13 16 A M E -Ab 8 50A 18 36,-2.4 38,-2.7 -2,-0.5 2,-0.6 -0.871 14.0-156.8 -90.0 122.6 60.3 45.2 47.3 14 17 A V E -Ab 7 51A 12 -7,-2.8 -7,-2.3 -2,-0.6 2,-0.5 -0.895 5.7-164.9-101.6 119.9 58.5 47.0 44.4 15 18 A I E -Ab 6 52A 0 36,-3.4 38,-2.6 -2,-0.6 2,-0.5 -0.934 5.1-165.3-105.5 128.1 58.8 45.0 41.1 16 19 A T E -Ab 5 53A 32 -11,-3.2 -11,-2.5 -2,-0.5 38,-0.3 -0.950 20.0-132.0-122.3 116.6 57.9 47.1 38.0 17 20 A I E -Ab 4 54A 0 36,-2.9 38,-2.4 -2,-0.5 -13,-0.3 -0.511 24.8-158.0 -64.6 132.5 57.2 45.5 34.7 18 21 A N + 0 0 36 -15,-3.1 -14,-0.1 -2,-0.2 -1,-0.1 -0.344 60.7 92.5-123.8 50.5 59.3 47.5 32.3 19 22 A R > > + 0 0 44 1,-0.1 5,-2.8 -2,-0.1 3,-1.8 -0.381 36.9 153.1-131.5 54.9 58.0 47.3 28.7 20 23 A P G > 5S+ 0 0 57 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.853 72.5 57.7 -58.2 -36.4 55.7 50.4 28.6 21 24 A E G 3 5S+ 0 0 152 1,-0.3 -2,-0.0 2,-0.1 -3,-0.0 0.712 109.7 45.8 -66.1 -19.6 56.1 50.7 24.9 22 25 A A G X 5S- 0 0 28 -3,-1.8 3,-1.4 3,-0.1 -1,-0.3 0.056 124.4-103.6-106.0 22.9 54.8 47.2 24.5 23 26 A R T < 5 - 0 0 122 -3,-1.7 39,-2.3 1,-0.3 40,-0.2 0.776 67.6 -72.0 59.2 31.7 51.9 47.8 27.0 24 27 A N T 3 - 0 0 27 -2,-0.5 4,-2.1 37,-0.1 3,-0.2 -0.730 63.0 -82.3-129.0-174.5 57.9 37.9 27.4 28 31 A A H > S+ 0 0 21 46,-0.4 4,-2.5 -2,-0.2 5,-0.2 0.875 127.0 58.3 -59.3 -37.6 60.9 35.9 28.7 29 32 A A H > S+ 0 0 42 1,-0.2 4,-2.2 2,-0.2 -26,-0.6 0.908 107.8 45.9 -58.5 -44.0 62.7 39.1 29.7 30 33 A V H > S+ 0 0 0 -27,-0.2 4,-3.2 -3,-0.2 5,-0.3 0.940 111.6 52.4 -62.6 -45.2 59.9 40.1 32.0 31 34 A S H X S+ 0 0 0 -4,-2.1 4,-2.6 44,-0.4 5,-0.3 0.872 109.4 49.7 -58.2 -39.6 59.7 36.6 33.5 32 35 A I H X S+ 0 0 61 -4,-2.5 4,-2.5 2,-0.2 5,-0.3 0.962 114.5 43.9 -63.4 -51.3 63.4 36.7 34.2 33 36 A G H X S+ 0 0 18 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.912 120.8 38.9 -60.2 -49.1 63.1 40.1 35.9 34 37 A V H X S+ 0 0 2 -4,-3.2 4,-2.6 2,-0.2 5,-0.2 0.934 117.6 48.4 -68.8 -46.7 60.0 39.3 37.9 35 38 A G H X S+ 0 0 0 -4,-2.6 4,-2.1 -5,-0.3 5,-0.2 0.923 112.1 48.2 -63.9 -46.8 61.0 35.7 38.8 36 39 A D H X S+ 0 0 79 -4,-2.5 4,-2.2 -5,-0.3 -1,-0.2 0.892 112.3 50.2 -58.6 -42.4 64.5 36.6 39.9 37 40 A A H X S+ 0 0 10 -4,-1.5 4,-2.7 -5,-0.3 -2,-0.2 0.923 109.1 51.0 -65.1 -45.6 63.1 39.5 42.1 38 41 A L H X S+ 0 0 2 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.894 111.3 47.2 -54.2 -46.3 60.5 37.3 43.7 39 42 A E H X S+ 0 0 59 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.902 110.8 52.3 -68.9 -37.4 63.1 34.6 44.6 40 43 A E H X S+ 0 0 52 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.923 111.0 49.1 -58.2 -45.7 65.4 37.5 46.0 41 44 A A H < S+ 0 0 0 -4,-2.7 6,-0.2 1,-0.2 -2,-0.2 0.888 106.5 55.7 -60.4 -42.1 62.4 38.6 48.1 42 45 A Q H < S+ 0 0 34 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.910 116.7 35.4 -57.9 -41.6 61.8 35.1 49.4 43 46 A H H < S+ 0 0 131 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.607 95.5 86.1 -96.0 -11.7 65.3 34.8 50.7 44 47 A D >< - 0 0 51 -4,-1.7 3,-2.2 -5,-0.1 -1,-0.1 -0.784 62.5-159.5 -89.8 107.2 66.1 38.3 51.9 45 48 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.651 87.2 64.8 -68.9 -11.7 64.8 38.4 55.5 46 49 A E T 3 S+ 0 0 134 -3,-0.0 2,-0.6 2,-0.0 -5,-0.1 0.572 86.2 83.8 -78.2 -13.2 64.6 42.2 55.5 47 50 A V < + 0 0 0 -3,-2.2 -35,-0.2 -6,-0.2 3,-0.1 -0.849 50.8 169.2 -91.3 123.8 62.0 42.1 52.7 48 51 A R + 0 0 44 -37,-3.1 2,-0.3 -2,-0.6 -36,-0.2 0.504 61.6 13.0-112.3 -10.9 58.6 41.6 54.3 49 52 A A E -b 12 0A 0 -38,-1.0 -36,-2.4 46,-0.2 2,-0.4 -0.978 61.2-139.2-159.6 163.4 56.3 42.2 51.3 50 53 A V E -bc 13 97A 0 46,-2.4 48,-2.2 -2,-0.3 2,-0.4 -0.994 7.1-163.3-132.3 135.7 56.3 42.5 47.6 51 54 A V E -bc 14 98A 0 -38,-2.7 -36,-3.4 -2,-0.4 2,-0.5 -0.984 6.8-160.1-117.3 128.7 54.4 44.9 45.3 52 55 A L E +bc 15 99A 2 46,-2.7 48,-3.5 -2,-0.4 2,-0.3 -0.937 25.1 151.5-108.8 126.6 54.0 44.2 41.6 53 56 A T E -bc 16 100A 10 -38,-2.6 -36,-2.9 -2,-0.5 2,-0.3 -0.872 37.6-110.6-144.2 173.0 53.1 47.1 39.2 54 57 A G E -b 17 0A 6 46,-0.5 -36,-0.2 -2,-0.3 2,-0.2 -0.830 32.6-105.6-109.8 151.7 53.6 48.2 35.7 55 58 A A S S+ 0 0 17 -38,-2.4 4,-0.5 -2,-0.3 3,-0.3 -0.470 80.7 11.8 -67.8 143.0 55.7 51.1 34.3 56 59 A G S S- 0 0 55 1,-0.2 -2,-0.2 -2,-0.2 46,-0.1 -0.188 89.3 -78.7 85.5-174.7 53.8 54.1 33.1 57 60 A D S S+ 0 0 96 1,-0.1 -1,-0.2 125,-0.0 3,-0.1 0.210 112.2 54.7-115.7 10.7 50.3 55.4 33.4 58 61 A K S S+ 0 0 75 -3,-0.3 46,-2.0 1,-0.3 2,-0.4 0.758 103.9 29.1-114.8 -43.2 48.5 53.4 30.8 59 62 A S E -g 104 0C 6 -4,-0.5 -1,-0.3 44,-0.3 46,-0.1 -0.981 32.5-175.8-136.2 134.9 49.1 49.7 31.4 60 63 A F E S- 0 0 0 44,-2.0 45,-0.2 -2,-0.4 2,-0.2 0.901 92.5 -34.3 -80.1 -55.7 49.7 47.3 34.3 61 64 A C E -g 105 0C 0 43,-2.7 45,-1.2 -7,-0.1 48,-0.3 -0.710 49.9-159.6-168.4 116.6 50.1 44.4 31.8 62 65 A A - 0 0 27 -39,-2.3 2,-0.3 1,-0.3 -37,-0.1 0.512 58.9 -97.1 -79.4 -6.5 48.1 44.0 28.5 63 66 A G - 0 0 6 -39,-0.3 -37,-2.4 -40,-0.2 -1,-0.3 -0.851 68.5 -8.3 134.4-164.8 48.8 40.3 28.4 64 67 A A B S-f 26 0B 31 -2,-0.3 2,-0.4 -39,-0.2 -37,-0.1 -0.522 81.0 -98.5 -66.6 133.9 51.1 37.7 26.9 65 68 A D > - 0 0 19 -39,-2.5 4,-1.9 -2,-0.2 5,-0.1 -0.420 34.3-157.8 -62.0 115.8 53.3 39.3 24.2 66 69 A L H > S+ 0 0 57 -2,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.819 88.6 53.6 -72.5 -32.4 51.5 38.5 21.0 67 70 A K H > S+ 0 0 56 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.889 110.0 49.6 -64.3 -40.0 54.6 38.8 18.7 68 71 A A H 4>S+ 0 0 2 2,-0.2 5,-2.8 1,-0.2 4,-0.4 0.902 110.8 49.5 -63.7 -43.0 56.4 36.3 21.0 69 72 A I H ><5S+ 0 0 43 -4,-1.9 3,-1.7 1,-0.2 -2,-0.2 0.937 107.7 54.2 -61.7 -46.8 53.5 34.0 20.8 70 73 A A H 3<5S+ 0 0 86 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.807 110.7 46.8 -57.1 -33.2 53.5 34.3 16.9 71 74 A R T 3<5S- 0 0 188 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.499 112.7-121.2 -83.0 -6.0 57.1 33.3 17.0 72 75 A R T < 5 + 0 0 84 -3,-1.7 -3,-0.2 -4,-0.4 2,-0.2 0.869 54.8 164.2 61.0 36.2 56.4 30.4 19.3 73 76 A E < - 0 0 74 -5,-2.8 2,-0.3 -6,-0.1 -1,-0.2 -0.574 45.8-109.4 -72.9 146.1 58.9 31.9 21.8 74 77 A N - 0 0 99 -2,-0.2 -46,-0.4 1,-0.1 -1,-0.1 -0.669 26.2-161.8 -71.1 135.9 58.8 30.6 25.4 75 78 A L + 0 0 27 -2,-0.3 11,-0.4 -48,-0.2 -44,-0.4 0.546 60.8 86.0 -95.1 -14.7 57.3 33.4 27.5 76 79 A Y S S- 0 0 80 1,-0.1 -44,-0.2 9,-0.1 9,-0.1 -0.203 97.8 -72.7 -85.9 176.0 58.5 32.0 30.9 77 80 A H > - 0 0 11 7,-0.6 3,-1.6 3,-0.5 6,-0.2 -0.572 42.5-141.0 -68.4 115.7 61.8 32.3 32.8 78 81 A P T 3 S+ 0 0 83 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.811 100.4 41.6 -52.3 -32.9 64.2 30.2 30.7 79 82 A D T 3 S+ 0 0 124 1,-0.2 3,-0.1 2,-0.1 -2,-0.1 0.548 122.7 38.7 -89.8 -9.9 65.9 28.8 33.9 80 83 A H X + 0 0 46 -3,-1.6 3,-1.9 1,-0.1 -3,-0.5 -0.469 55.4 157.1-143.6 62.6 62.7 28.3 35.9 81 84 A P G > S+ 0 0 67 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.798 73.5 71.6 -57.6 -27.3 59.9 27.0 33.7 82 85 A E G 3 S+ 0 0 102 1,-0.3 -2,-0.0 -3,-0.1 -3,-0.0 0.677 87.0 62.8 -65.1 -18.4 58.3 25.7 36.9 83 86 A W G < S- 0 0 21 -3,-1.9 7,-2.4 1,-0.2 -1,-0.3 0.594 96.0-159.2 -79.7 -11.6 57.4 29.3 37.9 84 87 A G X + 0 0 17 -3,-1.9 3,-2.0 -4,-0.3 -7,-0.6 -0.165 46.2 16.4 68.2-159.2 55.2 29.6 34.9 85 88 A F G >> S- 0 0 25 1,-0.3 3,-2.2 2,-0.2 4,-2.1 -0.179 135.0 -2.9 -55.2 130.8 54.0 32.8 33.2 86 89 A A G 34 S- 0 0 0 -11,-0.4 -1,-0.3 1,-0.3 -10,-0.1 0.612 113.4 -85.3 65.1 15.1 55.9 36.0 34.1 87 90 A G G <4 S+ 0 0 0 -3,-2.0 -1,-0.3 -53,-0.1 -2,-0.2 0.765 124.2 78.9 57.9 26.6 58.0 33.9 36.5 88 91 A Y T X4 + 0 0 9 -3,-2.2 3,-1.5 -4,-0.1 -2,-0.2 0.703 62.7 69.9-132.3 -45.3 55.1 34.7 38.8 89 92 A V T 3< S+ 0 0 4 -4,-2.1 -5,-0.2 1,-0.3 -3,-0.1 0.674 115.2 28.4 -72.3 -17.2 51.8 32.7 38.4 90 93 A R T 3 S+ 0 0 88 -7,-2.4 2,-0.3 -5,-0.2 -1,-0.3 -0.291 96.1 103.9-129.8 46.1 53.2 29.4 39.7 91 94 A H < - 0 0 14 -3,-1.5 2,-0.2 -8,-0.1 -8,-0.1 -0.706 54.7-165.6-131.6 77.4 55.9 30.9 42.0 92 95 A F - 0 0 48 -2,-0.3 2,-0.3 125,-0.2 -3,-0.0 -0.442 9.2-179.5 -67.6 131.6 54.6 30.6 45.6 93 96 A I - 0 0 3 2,-0.2 4,-0.1 -2,-0.2 -54,-0.1 -0.967 33.2-125.7-129.2 158.2 56.5 32.7 48.1 94 97 A D S S+ 0 0 28 -2,-0.3 114,-0.2 2,-0.1 115,-0.1 0.620 86.2 77.5 -65.4 -21.0 56.0 33.1 51.9 95 98 A K S S- 0 0 9 1,-0.1 -2,-0.2 113,-0.1 -46,-0.2 -0.622 93.6 -90.1-106.3 151.5 55.7 36.7 51.9 96 99 A P - 0 0 3 0, 0.0 -46,-2.4 0, 0.0 2,-0.4 -0.334 36.0-156.3 -66.0 140.7 52.6 38.7 50.9 97 100 A T E -c 50 0A 8 -48,-0.2 21,-1.6 -4,-0.1 20,-0.7 -0.961 7.7-170.9-119.2 133.2 52.3 39.8 47.3 98 101 A I E -cd 51 118A 0 -48,-2.2 -46,-2.7 -2,-0.4 2,-0.6 -0.991 14.6-145.6-128.7 121.5 50.2 42.8 46.3 99 102 A A E -cd 52 119A 0 19,-2.9 21,-2.6 -2,-0.4 2,-0.9 -0.798 8.4-160.5 -88.1 122.4 49.4 43.7 42.7 100 103 A A E -cd 53 120A 0 -48,-3.5 2,-1.0 -2,-0.6 -46,-0.5 -0.869 11.5-158.3-104.6 95.9 49.3 47.4 42.2 101 104 A V E + d 0 121A 0 19,-2.8 21,-2.9 -2,-0.9 24,-0.2 -0.683 17.4 176.5 -88.6 104.4 47.3 47.7 39.0 102 105 A N - 0 0 10 -2,-1.0 2,-0.3 19,-0.2 81,-0.2 0.441 63.3 -39.4 -87.3 -5.4 48.0 51.1 37.4 103 106 A G S S+ 0 0 3 1,-0.1 -44,-0.3 23,-0.1 23,-0.2 -0.893 109.2 28.5 178.8-145.6 46.0 50.6 34.3 104 107 A T E +g 59 0C 32 -46,-2.0 -43,-2.7 -2,-0.3 -44,-2.0 -0.068 49.0 173.3 -43.8 124.3 45.1 47.9 31.7 105 108 A A E +g 61 0C 0 21,-2.0 23,-0.5 -45,-0.2 2,-0.4 -0.665 18.5 155.5-136.3 75.5 45.2 44.4 33.2 106 109 A L > - 0 0 40 -45,-1.2 3,-2.2 -2,-0.2 2,-0.2 -0.842 57.4 -28.0-113.2 141.8 43.9 42.1 30.5 107 110 A G T >> S+ 0 0 4 21,-2.2 4,-2.4 -2,-0.4 3,-0.8 -0.399 142.4 19.7 64.9-118.2 44.5 38.4 29.9 108 111 A G H 3> S+ 0 0 1 -2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.815 126.2 58.7 -47.1 -36.9 47.9 37.7 31.4 109 112 A G H <> S+ 0 0 0 -3,-2.2 4,-1.5 -48,-0.3 -1,-0.2 0.886 106.3 45.3 -65.5 -40.8 47.6 40.9 33.4 110 113 A T H <> S+ 0 0 2 -3,-0.8 4,-2.7 18,-0.4 -2,-0.2 0.889 109.8 57.3 -67.7 -35.4 44.4 39.7 35.1 111 114 A E H X S+ 0 0 6 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.850 102.7 53.4 -64.4 -31.5 46.2 36.4 35.6 112 115 A L H X S+ 0 0 1 -4,-1.8 4,-0.7 -5,-0.2 -1,-0.2 0.917 109.9 48.5 -64.5 -42.8 49.0 38.2 37.5 113 116 A A H >< S+ 0 0 6 -4,-1.5 3,-0.9 1,-0.2 -2,-0.2 0.919 109.6 51.6 -62.5 -46.9 46.3 39.7 39.8 114 117 A L H 3< S+ 0 0 6 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.871 109.8 50.5 -55.6 -39.0 44.7 36.3 40.3 115 118 A A H 3< S+ 0 0 25 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.620 97.3 86.9 -76.3 -14.2 48.2 34.9 41.3 116 119 A S S << S- 0 0 0 -3,-0.9 -18,-0.1 -4,-0.7 3,-0.1 -0.497 79.3-131.3 -84.8 153.1 48.7 37.8 43.8 117 120 A D S S+ 0 0 3 -20,-0.7 2,-0.3 1,-0.2 -19,-0.2 0.891 89.8 11.8 -64.7 -37.7 47.5 37.6 47.4 118 121 A L E -d 98 0A 0 -21,-1.6 -19,-2.9 563,-0.1 2,-0.4 -0.934 66.3-152.2-144.0 153.6 45.9 41.1 47.2 119 122 A V E -d 99 0A 0 -2,-0.3 58,-2.5 -21,-0.2 59,-1.1 -0.992 8.3-176.5-138.9 129.1 45.1 43.6 44.6 120 123 A V E -de 100 178A 0 -21,-2.6 -19,-2.8 -2,-0.4 2,-0.4 -0.973 20.8-160.9-118.3 136.3 44.8 47.4 44.6 121 124 A A E -de 101 179A 0 57,-2.9 59,-2.6 -2,-0.4 -19,-0.2 -0.964 23.0-121.9-132.0 138.7 43.7 49.1 41.4 122 125 A D E > - e 0 180A 1 -21,-2.9 3,-2.4 -2,-0.4 59,-0.2 -0.441 38.3-117.4 -57.2 135.6 43.7 52.5 39.8 123 126 A E T 3 S+ 0 0 111 57,-2.2 44,-0.4 1,-0.3 45,-0.3 0.730 115.1 58.5 -51.5 -27.1 40.0 53.5 39.0 124 127 A R T 3 S+ 0 0 110 -22,-0.1 -1,-0.3 43,-0.1 -22,-0.1 0.613 82.8 112.9 -79.7 -14.8 41.0 53.5 35.3 125 128 A A < - 0 0 2 -3,-2.4 42,-1.5 -24,-0.2 2,-0.4 -0.245 48.6-161.4 -66.9 145.0 42.1 49.8 35.3 126 129 A Q E -H 166 0D 79 -23,-0.2 -21,-2.0 40,-0.2 2,-0.2 -0.976 2.4-161.9-122.8 142.6 40.1 47.1 33.4 127 130 A F E +H 165 0D 1 38,-2.9 38,-2.2 -2,-0.4 2,-0.2 -0.694 27.0 124.1-116.1 169.1 40.3 43.4 34.1 128 131 A G - 0 0 0 -23,-0.5 -21,-2.2 36,-0.3 -18,-0.4 -0.824 54.2-116.3 154.9 166.0 39.3 40.5 31.8 129 132 A L > + 0 0 1 29,-0.4 3,-0.7 34,-0.3 9,-0.1 -0.732 35.4 164.6-129.6 78.6 40.3 37.3 30.0 130 133 A P G > + 0 0 23 0, 0.0 3,-2.0 0, 0.0 4,-0.4 0.321 42.9 109.7 -84.1 12.9 40.0 38.1 26.3 131 134 A E G > >S+ 0 0 26 1,-0.3 5,-2.1 2,-0.2 3,-1.9 0.842 70.0 63.8 -56.9 -36.1 42.0 35.1 25.2 132 135 A V G < 5S+ 0 0 3 -3,-0.7 331,-2.5 1,-0.3 3,-0.5 0.729 97.1 57.0 -60.7 -22.5 38.9 33.4 23.9 133 136 A K G < 5S+ 0 0 50 -3,-2.0 -1,-0.3 329,-0.2 -2,-0.2 0.553 108.0 47.4 -82.2 -13.0 38.6 36.3 21.3 134 137 A R T < 5S- 0 0 72 -3,-1.9 -1,-0.2 -4,-0.4 111,-0.2 0.199 118.5-105.1-113.1 14.4 42.2 35.4 20.0 135 138 A G T 5S+ 0 0 0 -3,-0.5 -3,-0.2 1,-0.2 2,-0.2 0.674 92.8 93.5 68.7 19.0 41.7 31.7 19.7 136 139 A L < - 0 0 12 -5,-2.1 2,-0.3 -6,-0.1 -1,-0.2 -0.400 67.0-126.5-117.5-164.4 43.8 30.9 22.8 137 140 A I - 0 0 4 -2,-0.2 2,-2.0 -3,-0.1 3,-0.1 -0.936 35.4 -89.6-141.6 165.3 42.9 30.4 26.5 138 141 A A > + 0 0 1 -2,-0.3 5,-1.9 1,-0.2 3,-0.4 -0.557 56.3 165.6 -73.8 78.7 44.0 31.9 29.9 139 142 A A T 5 + 0 0 29 -2,-2.0 2,-0.3 1,-0.3 -1,-0.2 0.604 55.5 78.5 -81.3 -12.7 46.7 29.4 30.2 140 143 A A T 5S- 0 0 9 -3,-0.1 -1,-0.3 1,-0.1 -2,-0.1 -0.168 129.8 -72.7 -90.4 40.9 48.5 31.2 33.0 141 144 A G T >>5S+ 0 0 1 -3,-0.4 4,-2.2 -2,-0.3 3,-0.5 0.141 106.6 113.2 95.8 -14.7 46.0 30.0 35.6 142 145 A G H 3>5 + 0 0 0 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.870 69.3 59.4 -58.9 -41.9 43.0 32.2 34.6 143 146 A V H 34X S+ 0 0 25 -4,-2.2 4,-0.8 2,-0.1 3,-0.8 0.768 92.7 71.0 -88.9 -26.9 41.4 30.5 39.1 146 149 A I H >X S+ 0 0 0 -4,-2.2 4,-1.5 -5,-0.3 3,-1.1 0.916 101.0 45.4 -60.9 -43.0 38.7 32.9 37.9 147 150 A A H 34 S+ 0 0 22 -4,-0.3 -1,-0.3 1,-0.2 5,-0.2 0.627 108.6 59.8 -76.5 -9.5 35.9 30.8 39.4 148 151 A E H <4 S+ 0 0 81 -3,-0.8 529,-0.4 -4,-0.2 -1,-0.2 0.664 115.7 32.4 -80.2 -19.7 37.9 30.4 42.6 149 152 A Q H << S+ 0 0 12 -3,-1.1 529,-0.3 -4,-0.8 -2,-0.2 0.493 121.1 42.4-121.1 -13.5 38.0 34.2 43.1 150 153 A L S < S- 0 0 7 -4,-1.5 -1,-0.1 -5,-0.2 24,-0.1 -0.915 103.0 -81.1-124.4 156.5 34.6 35.4 41.6 151 154 A P > - 0 0 30 0, 0.0 4,-2.7 0, 0.0 3,-0.3 -0.357 50.8-110.5 -53.6 140.3 31.2 33.8 42.1 152 155 A R H > S+ 0 0 54 259,-0.4 4,-2.5 1,-0.2 5,-0.2 0.851 115.3 45.9 -42.7 -53.5 30.9 30.9 39.6 153 156 A K H > S+ 0 0 0 284,-0.5 4,-1.8 259,-0.3 -1,-0.2 0.898 114.9 47.5 -63.0 -40.5 28.3 32.4 37.3 154 157 A V H > S+ 0 0 17 283,-0.6 4,-1.9 -3,-0.3 -2,-0.2 0.926 113.6 48.9 -66.0 -45.1 30.1 35.8 37.2 155 158 A A H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.887 108.3 52.8 -56.5 -45.1 33.4 34.1 36.5 156 159 A M H X S+ 0 0 0 -4,-2.5 4,-2.6 -5,-0.2 5,-0.3 0.884 106.5 53.3 -67.2 -35.2 31.9 32.0 33.7 157 160 A R H X S+ 0 0 68 -4,-1.8 4,-2.2 2,-0.2 6,-0.4 0.933 111.9 45.9 -61.7 -45.0 30.6 35.1 32.0 158 161 A L H X S+ 0 0 9 -4,-1.9 4,-1.6 1,-0.2 -29,-0.4 0.938 115.8 46.0 -61.4 -46.6 34.1 36.6 32.1 159 162 A L H < S+ 0 0 2 -4,-2.7 -27,-0.3 1,-0.2 -2,-0.2 0.905 119.2 36.9 -65.5 -44.8 35.7 33.5 30.9 160 163 A L H < S+ 0 0 0 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.805 121.8 41.2 -87.4 -29.8 33.3 32.6 28.0 161 164 A T H < S- 0 0 1 -4,-2.2 -2,-0.2 -5,-0.3 -3,-0.2 0.787 88.2-144.0 -83.3 -29.2 32.5 36.2 26.7 162 165 A G < + 0 0 4 -4,-1.6 -4,-0.1 -5,-0.4 -3,-0.1 0.605 50.9 143.6 70.6 12.0 36.1 37.5 27.0 163 166 A E - 0 0 88 -6,-0.4 -34,-0.3 -5,-0.1 -1,-0.3 -0.623 47.9-111.7 -87.4 143.8 34.5 40.9 28.0 164 167 A P - 0 0 69 0, 0.0 2,-0.4 0, 0.0 -36,-0.3 -0.170 15.2-141.1 -78.2 168.8 36.2 43.1 30.6 165 168 A L E -H 127 0D 34 -38,-2.2 -38,-2.9 -7,-0.0 2,-0.0 -0.977 22.7-120.5-124.5 132.9 35.2 44.1 34.1 166 169 A S E > -H 126 0D 53 -2,-0.4 4,-2.4 -40,-0.2 -40,-0.2 -0.327 26.2-113.0 -68.7 158.4 35.8 47.6 35.5 167 170 A A H > S+ 0 0 0 -42,-1.5 4,-2.2 -44,-0.4 5,-0.2 0.901 119.4 52.8 -56.5 -41.6 38.0 48.1 38.6 168 171 A A H > S+ 0 0 39 -45,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.919 109.7 46.8 -63.4 -42.7 34.9 49.2 40.5 169 172 A A H > S+ 0 0 25 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.889 111.1 51.8 -66.6 -39.3 32.9 46.1 39.5 170 173 A A H X>S+ 0 0 0 -4,-2.4 5,-2.0 2,-0.2 6,-1.0 0.884 111.9 47.5 -61.7 -41.1 35.9 43.8 40.4 171 174 A R H ><5S+ 0 0 79 -4,-2.2 3,-1.0 1,-0.2 -2,-0.2 0.923 107.0 56.4 -68.5 -42.3 36.0 45.5 43.8 172 175 A D H 3<5S+ 0 0 101 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.860 110.9 44.4 -58.1 -35.4 32.3 45.1 44.3 173 176 A W H 3<5S- 0 0 50 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.602 116.0-114.2 -82.7 -11.3 32.6 41.3 43.7 174 177 A G T <<5S+ 0 0 0 -3,-1.0 504,-0.6 -4,-0.7 505,-0.6 0.586 81.3 124.9 82.8 15.4 35.6 41.0 46.0 175 178 A L S - 0 0 148 -2,-0.3 3,-2.3 -59,-0.2 4,-0.2 -0.199 67.5 -79.9 -53.8 141.5 42.3 57.7 42.6 182 185 A A T 3 S+ 0 0 39 1,-0.3 -1,-0.2 2,-0.1 -80,-0.1 -0.131 116.1 12.8 -45.8 131.0 44.1 57.8 39.3 183 186 A G T 3 S+ 0 0 54 -81,-0.2 3,-0.3 -3,-0.1 -1,-0.3 0.203 104.7 90.7 87.0 -14.0 47.9 57.7 39.8 184 187 A S <> + 0 0 30 -3,-2.3 4,-2.7 1,-0.2 5,-0.2 0.332 48.4 106.4 -97.1 7.4 47.9 56.7 43.4 185 188 A V H > S+ 0 0 6 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.860 79.1 49.9 -63.5 -37.0 48.0 52.9 43.1 186 189 A L H > S+ 0 0 65 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.936 112.6 47.3 -66.2 -45.1 51.6 52.5 44.2 187 190 A D H > S+ 0 0 118 -4,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.931 112.5 50.1 -59.9 -45.0 51.1 54.6 47.3 188 191 A A H X S+ 0 0 15 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.903 110.6 49.8 -56.6 -45.3 47.9 52.6 48.1 189 192 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.868 109.9 50.0 -62.8 -39.8 49.7 49.3 47.7 190 193 A L H X S+ 0 0 36 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.876 108.4 53.5 -67.4 -36.7 52.5 50.4 50.0 191 194 A A H X S+ 0 0 64 -4,-2.1 4,-1.1 2,-0.2 -2,-0.2 0.878 110.4 46.7 -63.1 -38.4 49.9 51.5 52.6 192 195 A L H X S+ 0 0 4 -4,-1.8 4,-0.8 2,-0.2 3,-0.4 0.923 108.6 55.0 -72.6 -42.7 48.4 48.0 52.4 193 196 A A H >X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 3,-1.5 0.922 106.1 52.7 -50.4 -47.7 51.8 46.4 52.7 194 197 A S H 3X S+ 0 0 65 -4,-2.3 4,-1.0 1,-0.3 -1,-0.2 0.820 100.7 60.8 -61.1 -32.3 52.4 48.4 55.9 195 198 A A H 3< S+ 0 0 16 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.710 117.0 32.5 -67.5 -18.2 49.1 47.0 57.2 196 199 A I H X< S+ 0 0 1 -3,-1.5 3,-2.0 -4,-0.8 -2,-0.2 0.799 108.8 61.5-101.6 -41.1 50.7 43.6 56.9 197 200 A T H 3< S+ 0 0 9 -4,-2.9 -3,-0.2 1,-0.3 -2,-0.1 0.684 93.0 66.2 -72.1 -16.7 54.4 44.0 57.6 198 201 A V T 3< S+ 0 0 89 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.1 0.651 91.3 87.8 -70.1 -17.8 53.9 45.3 61.1 199 202 A N S < S- 0 0 3 -3,-2.0 459,-0.2 486,-0.2 458,-0.1 -0.318 100.4 -74.5 -81.3 166.0 52.5 41.8 61.9 200 203 A A > - 0 0 1 457,-2.3 4,-2.4 1,-0.1 5,-0.2 -0.445 39.2-147.1 -64.7 119.4 54.5 38.7 63.1 201 204 A P H > S+ 0 0 7 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.846 96.9 50.9 -62.7 -37.8 56.4 37.3 60.0 202 205 A L H > S+ 0 0 42 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.910 112.1 49.0 -63.5 -40.2 56.3 33.7 61.1 203 206 A S H > S+ 0 0 1 2,-0.2 4,-2.5 454,-0.2 -1,-0.2 0.903 112.6 46.9 -63.4 -45.3 52.5 34.1 61.6 204 207 A V H X S+ 0 0 3 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.920 114.4 47.0 -62.7 -45.2 52.0 35.7 58.2 205 208 A Q H X S+ 0 0 34 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.916 114.4 45.8 -67.4 -42.9 54.1 33.1 56.4 206 209 A A H X S+ 0 0 2 -4,-2.5 4,-2.4 2,-0.2 5,-0.3 0.906 109.6 55.5 -66.5 -38.9 52.4 30.2 58.1 207 210 A S H X S+ 0 0 1 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.2 0.902 109.6 47.9 -61.2 -39.6 49.0 31.7 57.5 208 211 A K H X S+ 0 0 5 -4,-2.0 4,-2.2 -114,-0.2 -1,-0.2 0.929 109.4 51.1 -64.1 -48.1 49.8 31.9 53.8 209 212 A R H <>S+ 0 0 59 -4,-2.2 5,-3.0 1,-0.2 4,-0.4 0.888 116.4 41.3 -60.9 -39.1 51.1 28.3 53.6 210 213 A I H ><5S+ 0 0 4 -4,-2.4 3,-0.9 3,-0.2 -1,-0.2 0.925 112.4 53.2 -72.1 -45.2 47.9 27.0 55.2 211 214 A A H 3<5S+ 0 0 23 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.844 117.8 37.4 -64.2 -32.5 45.5 29.2 53.3 212 215 A Y T 3<5S- 0 0 50 -4,-2.2 9,-0.3 -5,-0.2 -1,-0.3 0.442 111.5-118.0 -97.5 0.0 46.9 28.1 50.0 213 216 A G T < 5 - 0 0 9 -3,-0.9 7,-0.9 -4,-0.4 2,-0.5 0.930 43.1-176.5 65.7 48.9 47.5 24.5 51.0 214 217 A V E < +I 219 0E 5 -5,-3.0 2,-0.4 5,-0.2 5,-0.2 -0.693 6.2 178.9 -85.9 121.3 51.3 24.4 50.5 215 218 A D E > S-I 218 0E 47 3,-2.5 3,-2.7 -2,-0.5 5,-0.0 -0.991 71.2 -15.6-124.6 126.8 53.0 21.1 51.1 216 219 A D T 3 S- 0 0 104 -2,-0.4 -1,-0.2 1,-0.3 3,-0.1 0.897 130.1 -53.9 47.5 44.2 56.8 20.5 50.7 217 220 A G T 3 S+ 0 0 62 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.328 115.6 115.4 75.8 -4.4 56.8 23.9 48.9 218 221 A V E < -I 215 0E 59 -3,-2.7 -3,-2.5 -5,-0.0 2,-1.8 -0.827 66.6-138.3-104.4 129.7 54.1 22.8 46.4 219 222 A V E > -I 214 0E 33 -2,-0.4 3,-1.5 -5,-0.2 4,-0.3 -0.653 34.6-177.5 -78.5 85.0 50.6 24.4 46.0 220 223 A V G > + 0 0 43 -2,-1.8 3,-1.4 -7,-0.9 -1,-0.2 0.793 66.2 64.1 -65.2 -34.4 49.3 20.9 45.6 221 224 A G G 3 S+ 0 0 60 -8,-0.4 4,-0.3 -9,-0.3 -1,-0.3 0.631 98.0 58.1 -64.7 -14.3 45.6 21.7 45.1 222 225 A D G <> S+ 0 0 23 -3,-1.5 4,-2.5 1,-0.2 -1,-0.3 0.560 79.1 92.6 -91.4 -11.1 46.4 23.6 41.8 223 226 A E H <> S+ 0 0 84 -3,-1.4 4,-2.7 -4,-0.3 5,-0.2 0.899 84.0 48.7 -52.4 -50.0 48.1 20.6 40.2 224 227 A P H > S+ 0 0 64 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.910 112.4 49.7 -59.8 -40.9 44.9 19.3 38.4 225 228 A G H > S+ 0 0 9 -4,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.924 112.7 46.2 -62.8 -43.9 44.1 22.7 37.0 226 229 A W H X S+ 0 0 14 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.925 113.4 50.2 -62.3 -43.2 47.7 23.2 35.7 227 230 A D H X S+ 0 0 92 -4,-2.7 4,-2.2 -5,-0.2 -2,-0.2 0.921 113.7 43.4 -64.9 -43.8 47.7 19.7 34.2 228 231 A R H X S+ 0 0 32 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.916 115.0 50.7 -67.6 -41.0 44.3 20.2 32.4 229 232 A T H X S+ 0 0 1 -4,-2.6 4,-2.7 -5,-0.3 -2,-0.2 0.934 111.7 47.1 -59.0 -47.5 45.4 23.7 31.3 230 233 A M H X S+ 0 0 97 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.918 112.4 48.5 -63.5 -43.3 48.7 22.4 29.9 231 234 A R H X S+ 0 0 119 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.918 115.7 45.0 -67.6 -40.2 47.1 19.4 28.0 232 235 A E H X S+ 0 0 18 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.891 111.4 51.7 -66.0 -42.6 44.4 21.7 26.5 233 236 A M H X S+ 0 0 38 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.935 106.9 53.3 -64.7 -44.9 46.9 24.5 25.5 234 237 A R H < S+ 0 0 189 -4,-2.2 4,-0.4 1,-0.2 -1,-0.2 0.891 113.6 43.1 -57.3 -40.8 49.2 22.1 23.7 235 238 A A H >< S+ 0 0 61 -4,-1.4 3,-0.7 -5,-0.2 4,-0.3 0.871 114.3 51.1 -71.4 -37.8 46.3 20.8 21.7 236 239 A L H >< S+ 0 0 9 -4,-2.5 3,-2.0 1,-0.2 6,-0.4 0.889 99.8 62.0 -66.7 -41.8 44.9 24.3 21.1 237 240 A L T 3< S+ 0 0 83 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.674 98.4 59.5 -62.5 -18.8 48.1 25.8 19.8 238 241 A K T < S+ 0 0 158 -3,-0.7 -1,-0.3 -4,-0.4 -2,-0.2 0.566 86.9 98.3 -83.7 -13.6 48.1 23.4 16.9 239 242 A S S < S- 0 0 11 -3,-2.0 4,-0.4 -4,-0.3 3,-0.3 -0.409 77.5-129.6 -73.9 151.1 44.8 24.6 15.5 240 243 A E S >> S+ 0 0 114 20,-2.8 4,-2.6 1,-0.2 3,-1.5 0.873 108.5 63.2 -63.2 -37.1 44.4 27.1 12.7 241 244 A D H 3> S+ 0 0 1 1,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.850 94.7 59.6 -57.6 -35.9 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112.8 43.7 -49.5 -52.7 28.4 29.7 52.1 416 156 B K H > S+ 0 0 2 283,-0.6 4,-2.0 258,-0.3 -1,-0.2 0.896 115.3 49.3 -63.5 -38.9 26.2 31.2 54.8 417 157 B V H > S+ 0 0 17 282,-0.6 4,-1.9 -3,-0.2 -2,-0.2 0.914 112.7 48.5 -64.3 -43.4 23.7 32.5 52.2 418 158 B A H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.912 109.9 51.7 -60.8 -44.8 23.6 29.1 50.6 419 159 B M H X S+ 0 0 0 -4,-2.6 4,-2.6 -5,-0.3 5,-0.3 0.886 107.3 52.2 -65.0 -38.0 23.1 27.3 53.9 420 160 B R H X S+ 0 0 78 -4,-2.0 4,-2.4 1,-0.2 5,-0.4 0.948 112.6 45.6 -62.9 -45.6 20.1 29.6 54.8 421 161 B L H X S+ 0 0 12 -4,-1.9 4,-1.7 1,-0.2 -29,-0.4 0.922 115.9 46.6 -60.6 -43.1 18.4 28.8 51.5 422 162 B L H < S+ 0 0 2 -4,-2.6 -27,-0.3 1,-0.2 -2,-0.2 0.910 119.1 37.7 -68.7 -44.6 19.1 25.1 51.8 423 163 B L H < S+ 0 0 0 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.787 122.2 40.4 -84.6 -31.3 18.0 24.6 55.4 424 164 B T H < S- 0 0 0 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.2 0.796 88.8-145.1 -83.0 -31.8 15.0 27.0 55.5 425 165 B G < + 0 0 4 -4,-1.7 -4,-0.1 -5,-0.4 -3,-0.1 0.595 47.7 147.5 74.6 12.8 13.7 26.1 52.0 426 166 B E - 0 0 63 -6,-0.4 -34,-0.4 -5,-0.1 -1,-0.3 -0.497 47.9-104.9 -86.6 151.3 12.6 29.7 51.6 427 167 B P - 0 0 72 0, 0.0 2,-0.4 0, 0.0 -36,-0.3 -0.211 21.2-144.6 -79.1 166.8 12.6 31.4 48.2 428 168 B L E -R 390 0H 26 -38,-2.8 -38,-3.1 -7,-0.0 2,-0.0 -0.983 18.8-124.3-129.4 129.9 15.1 34.0 46.7 429 169 B S E > -R 389 0H 63 -2,-0.4 4,-2.6 -40,-0.2 -40,-0.2 -0.320 25.7-112.6 -68.4 162.4 14.1 36.8 44.4 430 170 B A H > S+ 0 0 0 -42,-1.1 4,-2.5 -44,-0.4 5,-0.2 0.926 119.7 52.5 -59.9 -41.9 15.7 37.3 41.0 431 171 B A H > S+ 0 0 51 -45,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.920 110.1 46.0 -61.0 -45.7 17.3 40.4 42.2 432 172 B A H > S+ 0 0 22 2,-0.2 4,-1.7 1,-0.2 6,-0.2 0.901 111.5 53.2 -66.3 -39.3 18.7 38.8 45.4 433 173 B A H X>S+ 0 0 0 -4,-2.6 5,-1.9 1,-0.2 6,-0.9 0.920 111.5 46.3 -59.3 -42.8 20.0 35.9 43.2 434 174 B R H ><5S+ 0 0 94 -4,-2.5 3,-0.7 4,-0.2 -2,-0.2 0.900 108.6 55.4 -67.1 -40.5 21.7 38.4 41.0 435 175 B D H 3<5S+ 0 0 89 -4,-2.5 -1,-0.2 1,-0.2 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-5,-0.2 -3,-0.1 0.664 92.8 86.5 -71.3 -15.4 31.5 35.4 18.3 462 202 B N S < S- 0 0 2 -3,-2.0 -329,-0.2 -302,-0.2 -330,-0.1 -0.311 100.9 -75.3 -85.8 166.9 34.5 33.9 20.2 463 203 B A > - 0 0 0 -331,-2.5 4,-2.1 1,-0.1 3,-0.3 -0.455 40.0-144.5 -66.0 121.8 36.8 31.0 19.0 464 204 B P H > S+ 0 0 6 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.882 96.8 49.5 -58.6 -45.1 34.9 27.8 19.5 465 205 B L H > S+ 0 0 42 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.847 111.8 50.4 -64.9 -31.7 37.9 25.6 20.5 466 206 B S H > S+ 0 0 0 -3,-0.3 4,-2.3 -334,-0.2 -1,-0.2 0.890 111.8 46.6 -69.5 -42.5 38.9 28.2 23.1 467 207 B V H X S+ 0 0 2 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.936 115.2 47.0 -64.9 -45.1 35.4 28.4 24.6 468 208 B Q H X S+ 0 0 32 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.926 114.3 46.1 -62.4 -47.7 35.1 24.6 24.7 469 209 B A H X S+ 0 0 1 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.888 110.4 54.1 -64.5 -40.4 38.6 24.2 26.2 470 210 B S H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.914 109.0 49.3 -61.9 -41.6 37.9 26.9 28.8 471 211 B K H X S+ 0 0 6 -4,-2.3 4,-1.8 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1,-0.3 -2,-0.1 0.637 93.4 66.3 -71.2 -16.3 12.8 23.5 62.5 723 201 C V T 3< S+ 0 0 86 -4,-0.9 -1,-0.3 -5,-0.2 -2,-0.1 0.663 91.9 85.9 -71.0 -17.8 9.4 23.5 60.7 724 202 C N S < S- 0 0 2 -3,-1.9 -328,-0.2 -301,-0.2 -204,-0.1 -0.260 101.6 -73.3 -82.1 169.0 11.0 21.5 57.9 725 203 C A > - 0 0 0 -330,-2.6 4,-2.3 1,-0.1 3,-0.3 -0.458 41.2-144.2 -65.6 120.9 11.5 17.7 57.7 726 204 C P H > S+ 0 0 8 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.861 97.9 47.6 -58.4 -39.4 14.2 16.8 60.2 727 205 C L H > S+ 0 0 42 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.821 111.7 52.9 -72.4 -30.1 15.8 14.0 58.1 728 206 C S H > S+ 0 0 0 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.926 112.5 43.9 -65.1 -45.7 15.8 16.3 55.1 729 207 C V H X S+ 0 0 0 -4,-2.3 4,-2.2 -334,-0.2 -2,-0.2 0.926 115.0 48.9 -65.3 -45.9 17.6 19.0 57.0 730 208 C Q H X S+ 0 0 23 -4,-2.6 4,-2.1 -5,-0.2 -2,-0.2 0.915 113.4 45.7 -62.6 -45.8 20.0 16.6 58.5 731 209 C A H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.889 110.4 54.5 -64.9 -39.3 20.8 14.9 55.2 732 210 C S H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.921 108.1 49.8 -62.6 -41.9 21.2 18.3 53.4 733 211 C K H X S+ 0 0 4 -4,-2.2 4,-2.0 -114,-0.2 -1,-0.2 0.941 110.2 49.5 -63.0 -46.3 23.7 19.4 56.0 734 212 C R H X>S+ 0 0 50 -4,-2.1 5,-2.5 1,-0.2 4,-0.9 0.905 115.3 43.7 -60.1 -41.7 25.8 16.1 55.6 735 213 C I H ><5S+ 0 0 4 -4,-2.5 3,-0.6 3,-0.2 -1,-0.2 0.932 111.3 53.4 -69.1 -42.9 25.9 16.4 51.9 736 214 C A H 3<5S+ 0 0 13 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.824 116.8 37.8 -65.9 -33.3 26.6 20.2 51.8 737 215 C Y H 3<5S- 0 0 44 -4,-2.0 9,-0.4 -5,-0.2 -1,-0.3 0.510 111.1-117.6 -94.0 -5.2 29.7 19.7 54.1 738 216 C G T <<5 + 0 0 10 -4,-0.9 7,-1.2 -3,-0.6 2,-0.5 0.956 46.8 178.9 71.3 51.4 30.8 16.4 52.6 739 217 C V E < +D 744 0N 5 -5,-2.5 2,-0.4 5,-0.2 5,-0.2 -0.777 13.5 170.8 -95.8 126.1 30.4 14.3 55.7 740 218 C D E > S-D 743 0N 47 3,-1.9 3,-1.1 -2,-0.5 5,-0.0 -0.996 75.4 -2.2-129.9 123.3 31.2 10.6 55.7 741 219 C D T 3 S- 0 0 113 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.915 130.7 -58.1 61.3 38.5 31.3 8.6 59.0 742 220 C G T 3 S+ 0 0 54 1,-0.2 2,-0.4 -3,-0.1 -125,-0.3 0.449 114.5 106.3 78.7 4.3 30.6 11.8 61.0 743 221 C V E < S-D 740 0N 50 -3,-1.1 -3,-1.9 -127,-0.1 2,-1.4 -0.935 73.2-127.2-125.0 139.4 33.6 13.7 59.8 744 222 C V E > -D 739 0N 32 -2,-0.4 3,-1.3 -5,-0.2 4,-0.4 -0.682 31.1-173.3 -80.0 91.6 34.1 16.6 57.4 745 223 C V G > S+ 0 0 65 -2,-1.4 3,-1.4 -7,-1.2 -1,-0.2 0.831 75.5 62.7 -63.3 -33.5 36.7 14.8 55.3 746 224 C G G 3 S+ 0 0 59 -8,-0.5 4,-0.4 -9,-0.4 -1,-0.3 0.685 98.8 57.7 -66.4 -19.4 37.5 17.8 53.1 747 225 C D G <> S+ 0 0 20 -3,-1.3 4,-2.2 1,-0.2 -1,-0.3 0.579 80.8 89.6 -82.9 -14.3 38.7 19.7 56.2 748 226 C E H <> S+ 0 0 34 -3,-1.4 4,-2.6 -4,-0.4 5,-0.2 0.904 85.6 49.0 -58.1 -45.2 41.4 17.1 57.1 749 227 C P H > S+ 0 0 58 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.925 111.6 50.8 -59.8 -42.1 44.2 18.6 55.1 750 228 C G H > S+ 0 0 5 -4,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.901 112.8 45.3 -59.1 -44.3 43.5 22.1 56.6 751 229 C W H X S+ 0 0 13 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.908 113.3 50.1 -66.6 -42.0 43.6 20.8 60.1 752 230 C D H X S+ 0 0 94 -4,-2.6 4,-2.1 -5,-0.2 -2,-0.2 0.922 113.9 44.4 -63.5 -43.7 46.7 18.7 59.5 753 231 C R H X S+ 0 0 33 -4,-2.7 4,-2.2 -5,-0.2 5,-0.2 0.881 113.7 50.8 -67.7 -39.9 48.5 21.8 58.0 754 232 C T H X S+ 0 0 2 -4,-2.3 4,-3.2 -5,-0.2 5,-0.2 0.948 110.2 49.6 -61.3 -48.7 47.3 24.0 60.8 755 233 C M H X S+ 0 0 75 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.896 112.0 47.6 -58.8 -44.3 48.5 21.5 63.4 756 234 C R H X S+ 0 0 86 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.896 116.0 43.6 -67.3 -41.0 52.0 21.2 61.9 757 235 C E H X S+ 0 0 14 -4,-2.2 4,-3.1 2,-0.2 -2,-0.2 0.937 114.8 49.8 -67.9 -44.6 52.4 25.0 61.5 758 236 C M H X S+ 0 0 41 -4,-3.2 4,-2.4 2,-0.2 -2,-0.2 0.890 108.6 51.9 -63.6 -40.4 51.0 25.7 65.0 759 237 C R H < S+ 0 0 185 -4,-2.3 4,-0.4 -5,-0.2 -1,-0.2 0.943 115.0 42.7 -61.4 -46.4 53.3 23.2 66.6 760 238 C A H >< S+ 0 0 67 -4,-1.7 3,-0.9 1,-0.2 4,-0.3 0.884 113.0 53.0 -64.4 -42.5 56.3 24.8 65.0 761 239 C L H >< S+ 0 0 10 -4,-3.1 3,-2.1 1,-0.2 6,-0.4 0.887 98.5 62.5 -63.7 -41.2 55.1 28.3 65.7 762 240 C L T 3< S+ 0 0 111 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.640 100.2 56.3 -62.3 -15.5 54.6 27.8 69.5 763 241 C K T < S+ 0 0 87 -3,-0.9 -1,-0.3 -4,-0.4 -2,-0.2 0.554 88.2 102.1 -89.3 -11.1 58.4 27.1 69.8 764 242 C S S < S- 0 0 10 -3,-2.1 4,-0.4 -4,-0.3 3,-0.3 -0.394 76.3-130.8 -73.3 149.9 59.3 30.4 68.2 765 243 C E S >> S+ 0 0 41 19,-0.5 4,-2.6 1,-0.2 3,-1.2 0.848 107.9 61.3 -63.1 -35.5 60.5 33.4 70.3 766 244 C D H 3> S+ 0 0 1 18,-1.9 4,-2.4 1,-0.3 -1,-0.2 0.818 95.2 60.9 -63.1 -31.8 57.9 35.6 68.5 767 245 C A H 34 S+ 0 0 11 -6,-0.4 -1,-0.3 -3,-0.3 -2,-0.2 0.687 111.9 39.1 -70.1 -20.7 55.0 33.5 69.8 768 246 C K H <> S+ 0 0 45 -3,-1.2 4,-1.7 -4,-0.4 -2,-0.2 0.846 114.4 52.8 -86.7 -50.9 56.1 34.4 73.4 769 247 C E H X S+ 0 0 19 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.818 105.5 56.8 -51.9 -39.8 57.0 38.0 72.5 770 248 C G H < S+ 0 0 9 -4,-2.4 -110,-0.2 2,-0.2 -1,-0.2 0.937 108.7 39.9 -64.8 -55.2 53.6 38.7 71.0 771 249 C P H 4 S+ 0 0 59 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.861 115.3 52.6 -60.6 -42.1 51.2 37.7 73.9 772 250 C R H < 0 0 150 -4,-1.7 4,-0.2 -113,-0.1 -2,-0.2 0.924 360.0 360.0 -64.3 -43.2 53.4 39.3 76.5 773 251 C A < 0 0 27 -4,-1.9 3,-1.5 -5,-0.2 4,-0.3 0.997 360.0 360.0 -70.2 360.0 53.5 42.6 74.6 774 ! 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 0.0 775 254 C E 0 0 91 0, 0.0 -2,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 65.7 52.9 45.3 78.4 776 255 C K + 0 0 109 -3,-1.5 2,-0.3 -4,-0.2 -3,-0.1 0.848 360.0 116.1 43.7 48.4 50.8 47.4 75.9 777 256 C R S S- 0 0 113 -4,-0.3 -1,-0.2 0, 0.0 0, 0.0 -0.885 75.1 -84.2-132.9 165.0 53.8 48.1 73.7 778 257 C E - 0 0 80 -2,-0.3 2,-0.2 -3,-0.1 -8,-0.0 -0.437 48.0-119.5 -64.9 142.3 54.7 47.3 70.1 779 258 C P - 0 0 41 0, 0.0 2,-0.6 0, 0.0 -9,-0.1 -0.534 12.6-139.5 -76.0 155.1 56.2 43.8 69.6 780 259 C V - 0 0 102 -2,-0.2 2,-0.4 -11,-0.0 -11,-0.1 -0.943 20.1-148.3-116.4 107.7 59.7 43.4 68.2 781 260 C W - 0 0 43 -2,-0.6 -582,-0.0 1,-0.1 -121,-0.0 -0.611 20.9-179.3 -85.0 129.2 59.7 40.4 65.8 782 261 C Q - 0 0 136 -2,-0.4 -1,-0.1 2,-0.3 -582,-0.0 0.458 39.9-127.9 -98.0 -6.9 63.0 38.3 65.5 783 262 C A 0 0 57 1,-0.2 -2,-0.1 -19,-0.0 -583,-0.0 0.822 360.0 360.0 55.5 36.6 61.5 35.9 62.9 784 263 C R 0 0 73 0, 0.0 -18,-1.9 0, 0.0 -19,-0.5 -0.980 360.0 360.0-147.0 360.0 62.7 33.2 65.2