==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 18-FEB-13 4JAF . COMPND 2 MOLECULE: CITRATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR R.MAURUS,G.D.BRAYER . 852 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33553.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 578 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 44 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 99 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 333 39.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 2.0 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 2 1 3 0 3 6 2 5 2 2 2 0 0 0 0 0 0 0 0 1 1 0 2 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 5 4 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 A 0 0 108 0, 0.0 4,-0.1 0, 0.0 18,-0.0 0.000 360.0 360.0 360.0 30.8 17.3 42.3 70.1 2 2 A D - 0 0 144 1,-0.2 3,-0.2 2,-0.1 0, 0.0 0.953 360.0 -14.8 -55.2 -94.4 14.5 44.9 70.5 3 3 A T S S+ 0 0 78 1,-0.2 3,-0.5 2,-0.1 -1,-0.2 0.256 106.9 113.6 -95.8 10.3 13.3 45.9 67.0 4 4 A K + 0 0 55 1,-0.2 15,-0.7 14,-0.0 -1,-0.2 0.325 36.2 122.5 -64.6 9.9 16.5 44.2 65.7 5 5 A A S S- 0 0 76 -3,-0.2 14,-0.8 1,-0.2 2,-0.2 0.898 77.6 -85.2 -35.1 -80.5 14.2 41.7 64.1 6 6 A K E -A 18 0A 104 -3,-0.5 12,-0.2 12,-0.2 2,-0.2 -0.847 34.2-125.2 170.4 155.2 15.5 42.3 60.6 7 7 A L E -A 17 0A 34 10,-1.8 10,-1.8 -2,-0.2 2,-0.3 -0.595 17.8-137.9-111.9 173.4 15.0 44.5 57.5 8 8 A T E -AB 16 437A 50 429,-1.9 429,-3.3 -2,-0.2 2,-0.3 -0.976 6.7-160.6-137.7 150.6 14.3 44.0 53.9 9 9 A L E +A 15 0A 11 6,-1.1 6,-1.3 -2,-0.3 2,-0.3 -0.843 17.3 164.3-123.0 159.0 15.4 45.2 50.5 10 10 A D E +A 14 0A 49 425,-0.5 425,-2.3 -2,-0.3 4,-0.2 -0.888 25.2 160.9-175.9 144.0 13.7 45.1 47.1 11 11 A G S S- 0 0 29 2,-1.0 422,-0.5 423,-0.3 3,-0.1 0.531 101.8 -14.1-131.6 -41.5 13.6 46.5 43.5 12 12 A D S S+ 0 0 89 1,-0.5 2,-0.3 420,-0.1 419,-0.1 0.275 142.7 26.7-140.5 -14.5 11.7 43.9 41.5 13 13 A T S S- 0 0 100 417,-0.2 -2,-1.0 2,-0.0 -1,-0.5 -0.980 81.7-114.7-151.6 152.0 11.9 41.2 44.2 14 14 A A E -A 10 0A 75 -2,-0.3 2,-0.3 -4,-0.2 -4,-0.2 -0.413 23.8-166.7 -90.2 165.5 12.3 41.1 48.0 15 15 A V E -A 9 0A 16 -6,-1.3 -6,-1.1 -2,-0.1 2,-0.4 -0.994 17.2-127.5-152.3 146.5 15.1 39.9 50.3 16 16 A E E -A 8 0A 81 -2,-0.3 2,-0.4 -8,-0.2 -8,-0.2 -0.778 25.0-179.9 -98.5 139.1 15.6 39.1 54.0 17 17 A L E -A 7 0A 4 -10,-1.8 -10,-1.8 -2,-0.4 14,-0.1 -0.962 20.0-133.3-143.4 121.7 18.5 40.6 56.0 18 18 A D E -A 6 0A 79 -2,-0.4 12,-1.6 -12,-0.2 2,-0.7 -0.293 15.4-128.3 -71.7 155.5 19.3 40.1 59.7 19 19 A V E -D 29 0B 17 -14,-0.8 2,-0.3 -15,-0.7 10,-0.2 -0.895 26.1-166.0-109.3 103.6 20.2 42.9 62.1 20 20 A L E -D 28 0B 37 8,-2.1 8,-3.4 -2,-0.7 2,-0.3 -0.669 2.7-160.8 -90.4 143.3 23.5 42.2 63.9 21 21 A K - 0 0 106 -2,-0.3 2,-0.2 6,-0.2 6,-0.2 -0.858 8.2-134.7-122.4 156.5 24.5 44.1 67.0 22 22 A G - 0 0 19 3,-0.5 818,-0.3 -2,-0.3 3,-0.1 -0.470 28.8-111.9-101.4 177.2 27.8 44.7 68.7 23 23 A T S S+ 0 0 50 816,-2.4 2,-0.3 1,-0.2 817,-0.2 0.737 110.2 7.9 -77.5 -21.8 28.7 44.5 72.4 24 24 A L S S+ 0 0 49 815,-1.1 815,-0.4 2,-0.1 -1,-0.2 -0.942 113.3 36.3-149.3 158.5 29.2 48.3 72.0 25 25 A G S S- 0 0 45 -2,-0.3 -3,-0.5 -3,-0.1 35,-0.1 -0.039 92.2 -39.0 82.9 171.3 28.5 50.6 69.1 26 26 A Q - 0 0 115 1,-0.1 -4,-0.3 -5,-0.1 813,-0.2 -0.038 62.9 -93.7 -69.0 170.7 25.6 50.7 66.6 27 27 A D - 0 0 62 -6,-0.2 440,-0.6 811,-0.1 2,-0.3 -0.344 33.2-150.6 -79.2 163.3 23.8 47.8 64.8 28 28 A V E -De 20 467B 3 -8,-3.4 -8,-2.1 438,-0.1 2,-0.7 -0.966 12.1-130.6-135.8 150.0 24.7 46.5 61.4 29 29 A I E -De 19 468B 13 438,-2.3 440,-2.3 -2,-0.3 2,-0.2 -0.902 26.6-131.1-105.1 110.0 22.6 44.9 58.7 30 30 A D E + e 0 469B 24 -12,-1.6 -12,-0.2 -2,-0.7 440,-0.2 -0.400 33.8 167.4 -62.9 123.3 24.2 41.7 57.4 31 31 A I >> + 0 0 4 438,-2.5 3,-1.4 -2,-0.2 4,-0.8 0.071 40.7 117.2-121.7 19.6 24.3 41.6 53.6 32 32 A R T 34 S+ 0 0 100 437,-0.4 4,-0.2 1,-0.3 -1,-0.1 0.605 80.7 49.6 -63.6 -9.0 26.7 38.7 53.4 33 33 A T T 3> S+ 0 0 60 -3,-0.1 4,-1.1 2,-0.1 -1,-0.3 0.543 92.8 73.1-106.1 -12.0 23.7 36.9 51.7 34 34 A L T <4>S+ 0 0 3 -3,-1.4 5,-2.7 1,-0.2 4,-0.5 0.811 84.5 67.5 -72.7 -31.9 22.9 39.7 49.1 35 35 A G T ><5S+ 0 0 16 -4,-0.8 3,-0.9 1,-0.2 -1,-0.2 0.911 104.6 43.6 -54.2 -43.9 26.0 38.9 47.0 36 36 A S T 345S+ 0 0 107 1,-0.2 -1,-0.2 -4,-0.2 -2,-0.2 0.838 106.8 59.7 -71.1 -34.8 24.5 35.5 46.1 37 37 A K T 3<5S- 0 0 104 -4,-1.1 -1,-0.2 2,-0.2 -2,-0.2 0.479 122.1-105.7 -73.2 -0.6 21.0 36.9 45.4 38 38 A G T < 5S+ 0 0 31 -3,-0.9 2,-0.5 -4,-0.5 -3,-0.2 0.628 79.6 130.5 86.3 15.0 22.6 39.2 42.8 39 39 A V < + 0 0 32 -5,-2.7 2,-0.3 -6,-0.1 -1,-0.3 -0.890 30.3 178.1-108.1 130.3 22.4 42.4 44.8 40 40 A F - 0 0 24 -2,-0.5 416,-2.9 414,-0.3 436,-0.2 -0.955 15.2-144.8-129.5 147.2 25.4 44.7 45.2 41 41 A T E -hi 456 476C 5 434,-1.5 436,-1.3 -2,-0.3 2,-0.5 -0.546 12.1-131.6-103.5 173.0 25.9 48.0 47.0 42 42 A F E +hi 457 477C 7 414,-1.4 416,-1.4 -2,-0.2 417,-0.1 -0.912 37.3 150.9-130.6 104.8 28.1 51.0 46.1 43 43 A D > - 0 0 1 434,-0.9 2,-1.6 -2,-0.5 3,-1.5 -0.631 21.5-169.9-137.5 78.1 30.2 52.4 48.9 44 44 A P T 3 S+ 0 0 45 0, 0.0 435,-0.1 0, 0.0 434,-0.1 -0.508 87.2 22.4 -68.4 89.0 33.5 54.1 47.6 45 45 A G T 3 S- 0 0 11 -2,-1.6 789,-0.5 433,-0.3 433,-0.1 0.090 104.2-110.6 141.0 -24.9 35.2 54.6 50.9 46 46 A F S < S+ 0 0 14 -3,-1.5 790,-0.6 787,-0.1 5,-0.2 0.892 74.6 133.4 67.5 40.4 33.5 52.0 53.2 47 47 A T S S+ 0 0 84 788,-0.1 412,-0.1 1,-0.1 -4,-0.0 0.890 79.9 31.4 -84.2 -47.6 31.7 54.7 55.2 48 48 A S S S+ 0 0 0 419,-0.1 420,-3.0 410,-0.1 2,-0.4 0.528 113.1 84.4 -86.4 -8.3 28.3 53.0 55.2 49 49 A T E -f 468 0B 0 418,-0.2 787,-1.2 -6,-0.1 2,-0.7 -0.825 62.5-155.6-105.7 134.8 30.0 49.6 55.2 50 50 A T E -fg 469 836B 0 418,-3.0 420,-2.6 -2,-0.4 787,-0.2 -0.918 13.2-179.9-106.3 112.9 31.3 47.5 58.1 51 51 A S E + 0 0 22 785,-1.3 421,-0.3 -2,-0.7 2,-0.3 0.532 54.5 25.6 -93.2 -8.0 34.0 45.1 56.9 52 52 A C E - g 0 837B 9 784,-0.8 786,-2.6 419,-0.1 2,-0.5 -0.980 58.0-128.3-154.2 166.4 35.0 43.3 60.1 53 53 A E E + g 0 838B 67 -2,-0.3 2,-0.3 784,-0.2 786,-0.2 -0.968 37.3 173.9-113.6 128.9 34.3 42.0 63.5 54 54 A S E - g 0 839B 0 784,-1.9 786,-2.7 -2,-0.5 787,-0.4 -0.913 33.3-178.7-135.7 162.2 36.9 42.9 66.2 55 55 A K S S+ 0 0 92 -2,-0.3 787,-0.4 784,-0.2 14,-0.2 0.148 70.7 86.7-140.5 10.9 37.4 42.7 70.0 56 56 A I S S+ 0 0 0 1,-0.3 13,-2.6 12,-0.1 2,-0.4 0.980 96.2 6.2 -77.5 -64.9 40.7 44.4 70.1 57 57 A T E -L 68 0D 0 11,-0.3 2,-0.4 12,-0.1 -1,-0.3 -0.973 59.3-159.1-129.1 139.5 39.9 48.1 70.4 58 58 A F E -L 67 0D 16 9,-2.6 9,-2.6 -2,-0.4 2,-0.4 -0.968 11.9-176.2-120.6 133.0 36.7 50.0 70.9 59 59 A I E -L 66 0D 17 -2,-0.4 2,-0.4 7,-0.2 7,-0.2 -0.981 19.6-178.8-130.7 140.9 36.2 53.7 70.0 60 60 A D E >> -L 65 0D 59 5,-1.9 5,-2.3 -2,-0.4 4,-0.6 -0.879 13.2-171.3-133.3 94.2 33.3 56.1 70.4 61 61 A G T 45S+ 0 0 9 -2,-0.4 248,-3.3 1,-0.2 249,-0.4 0.749 80.3 55.0 -61.8 -28.9 34.7 59.3 68.9 62 62 A D T 45S+ 0 0 90 246,-0.2 -1,-0.2 1,-0.2 248,-0.2 0.860 115.0 38.1 -74.7 -34.8 31.8 61.5 70.0 63 63 A E T 45S- 0 0 118 -3,-0.3 -1,-0.2 2,-0.1 -2,-0.2 0.403 109.9-120.1 -95.3 1.4 32.1 60.6 73.7 64 64 A G T <5 + 0 0 10 -4,-0.6 2,-0.4 1,-0.2 -3,-0.2 0.893 58.5 154.1 62.6 41.0 35.9 60.5 73.6 65 65 A I E < +L 60 0D 71 -5,-2.3 -5,-1.9 8,-0.0 2,-0.4 -0.879 20.4 173.8-108.8 135.5 36.2 56.9 74.6 66 66 A L E +L 59 0D 5 -2,-0.4 7,-2.3 -7,-0.2 2,-0.4 -0.973 5.8 174.7-138.7 118.9 39.0 54.5 73.8 67 67 A L E -LM 58 72D 10 -9,-2.6 -9,-2.6 -2,-0.4 2,-0.5 -0.962 19.1-158.2-126.7 144.8 39.2 51.0 75.2 68 68 A H E > S-LM 57 71D 2 3,-2.9 3,-1.3 -2,-0.4 -11,-0.3 -0.967 89.6 -16.6-121.9 109.0 41.7 48.2 74.4 69 69 A R T 3 S- 0 0 34 -13,-2.6 2,-0.4 -2,-0.5 -1,-0.2 0.948 128.3 -56.4 59.3 49.0 40.2 44.8 75.4 70 70 A G T 3 S+ 0 0 0 772,-0.3 775,-1.7 1,-0.2 -1,-0.3 0.092 114.2 120.6 74.1 -28.1 37.5 46.7 77.4 71 71 A F E < -M 68 0D 7 -3,-1.3 -3,-2.9 -2,-0.4 -1,-0.2 -0.564 68.3-119.5 -73.6 124.4 40.3 48.3 79.4 72 72 A P E > -M 67 0D 19 0, 0.0 4,-1.9 0, 0.0 3,-0.3 -0.314 14.2-128.1 -63.1 143.5 40.1 52.2 79.2 73 73 A I H > S+ 0 0 6 -7,-2.3 4,-3.0 1,-0.2 5,-0.2 0.872 104.6 59.4 -61.7 -39.2 43.2 53.9 77.8 74 74 A D H > S+ 0 0 67 -8,-0.3 4,-1.2 2,-0.2 -1,-0.2 0.902 108.1 45.4 -58.3 -42.2 43.6 56.3 80.7 75 75 A Q H >> S+ 0 0 43 -3,-0.3 4,-4.8 2,-0.2 3,-0.8 0.971 114.3 47.1 -65.3 -53.5 44.0 53.5 83.2 76 76 A L H 3X S+ 0 0 0 -4,-1.9 4,-1.4 1,-0.3 -2,-0.2 0.887 108.7 56.5 -55.3 -40.6 46.4 51.5 81.0 77 77 A A H 3< S+ 0 0 2 -4,-3.0 -1,-0.3 -5,-0.2 -2,-0.2 0.827 123.9 23.7 -62.7 -31.1 48.4 54.7 80.4 78 78 A T H << S+ 0 0 59 -4,-1.2 -2,-0.2 -3,-0.8 -1,-0.2 0.773 129.9 38.9-103.9 -33.1 48.9 55.2 84.1 79 79 A D H < S+ 0 0 91 -4,-4.8 -3,-0.2 -5,-0.2 -2,-0.1 0.754 114.0 35.1 -92.9 -27.5 48.5 51.7 85.6 80 80 A S S < S- 0 0 13 -4,-1.4 2,-0.3 -5,-0.5 3,-0.1 -0.142 73.1-122.7-108.1-157.1 50.2 49.3 83.2 81 81 A N > - 0 0 15 1,-0.1 4,-2.8 -2,-0.1 3,-0.4 -0.965 34.7 -92.3-148.6 160.5 53.3 49.4 80.9 82 82 A Y H > S+ 0 0 0 -2,-0.3 4,-3.3 1,-0.2 5,-0.2 0.876 121.7 46.9 -41.9 -56.5 53.9 48.9 77.2 83 83 A L H > S+ 0 0 4 2,-0.2 4,-3.2 1,-0.2 -1,-0.2 0.888 113.8 47.4 -58.3 -41.2 54.7 45.2 77.3 84 84 A E H > S+ 0 0 2 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.900 114.0 48.7 -66.4 -38.0 51.7 44.4 79.5 85 85 A V H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.908 111.4 49.8 -65.9 -40.8 49.6 46.5 77.2 86 86 A C H X S+ 0 0 0 -4,-3.3 4,-2.0 -5,-0.3 5,-0.3 0.947 110.2 50.5 -60.2 -47.8 51.1 44.6 74.2 87 87 A Y H X S+ 0 0 21 -4,-3.2 4,-2.0 1,-0.2 6,-0.4 0.873 111.0 50.3 -56.9 -39.0 50.3 41.3 76.0 88 88 A I H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.896 108.6 49.8 -67.5 -43.5 46.7 42.6 76.5 89 89 A L H < S+ 0 0 0 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.868 119.5 37.0 -65.3 -37.4 46.2 43.5 72.8 90 90 A L H < S+ 0 0 48 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.770 127.5 32.7 -87.2 -27.7 47.4 40.2 71.5 91 91 A N H < S- 0 0 86 -4,-2.0 -3,-0.2 -5,-0.3 -2,-0.2 0.559 93.2-130.3-107.6 -11.1 46.0 37.9 74.2 92 92 A G S < S+ 0 0 10 -4,-2.0 2,-0.3 -5,-0.2 -4,-0.2 0.451 79.8 69.9 76.9 0.1 42.8 39.6 75.2 93 93 A E S S- 0 0 74 -6,-0.4 -2,-0.2 -5,-0.0 -1,-0.1 -0.967 87.8-100.0-145.3 158.5 43.6 39.4 78.9 94 94 A K - 0 0 74 -2,-0.3 2,-0.2 1,-0.1 -9,-0.1 -0.469 52.0-105.5 -74.6 152.5 46.0 40.9 81.4 95 95 A P - 0 0 3 0, 0.0 756,-0.1 0, 0.0 -1,-0.1 -0.502 16.7-129.1 -85.7 151.5 48.9 38.6 82.2 96 96 A T > - 0 0 71 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.346 42.0 -99.9 -79.2 173.6 49.6 36.6 85.3 97 97 A Q H > S+ 0 0 78 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.971 125.5 46.9 -60.3 -50.3 53.1 37.2 86.8 98 98 A E H > S+ 0 0 152 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.908 112.5 46.8 -56.6 -51.4 54.3 33.9 85.1 99 99 A Q H > S+ 0 0 77 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.905 115.8 47.8 -59.7 -41.1 52.7 34.6 81.7 100 100 A Y H X S+ 0 0 0 -4,-2.3 4,-3.2 2,-0.2 5,-0.3 0.933 109.6 51.2 -65.7 -48.2 54.1 38.2 81.8 101 101 A D H X S+ 0 0 64 -4,-3.3 4,-2.3 1,-0.2 5,-0.2 0.947 112.7 46.8 -53.4 -51.0 57.6 37.0 82.8 102 102 A E H X S+ 0 0 127 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.905 113.4 49.1 -57.8 -44.8 57.6 34.6 80.0 103 103 A F H X S+ 0 0 9 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.966 113.1 45.0 -60.2 -55.5 56.4 37.2 77.5 104 104 A K H X S+ 0 0 41 -4,-3.2 4,-2.4 1,-0.2 -1,-0.2 0.807 112.9 52.6 -60.4 -31.7 58.9 39.8 78.6 105 105 A T H X S+ 0 0 72 -4,-2.3 4,-1.8 -5,-0.3 -1,-0.2 0.885 108.0 50.4 -72.8 -36.8 61.7 37.2 78.5 106 106 A T H < S+ 0 0 39 -4,-2.2 4,-0.4 -5,-0.2 -2,-0.2 0.909 114.5 44.6 -66.4 -41.5 60.8 36.2 74.9 107 107 A V H >< S+ 0 0 2 -4,-2.3 3,-1.8 1,-0.2 -2,-0.2 0.975 112.6 50.1 -65.9 -54.0 60.8 39.8 73.8 108 108 A T H >< S+ 0 0 33 -4,-2.4 3,-0.9 1,-0.3 4,-0.2 0.803 104.1 60.7 -54.8 -33.6 64.0 40.7 75.6 109 109 A R T 3< S+ 0 0 164 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.583 107.9 41.8 -74.9 -10.6 65.9 37.7 74.1 110 110 A H T < S+ 0 0 96 -3,-1.8 -1,-0.2 -4,-0.4 -2,-0.2 0.106 74.9 110.0-125.0 25.9 65.4 38.7 70.5 111 111 A T < + 0 0 13 -3,-0.9 2,-0.3 -4,-0.1 59,-0.1 0.797 61.0 83.1 -69.4 -31.2 66.1 42.4 70.4 112 112 A M S S- 0 0 115 -4,-0.2 2,-0.3 -3,-0.1 55,-0.1 -0.581 74.4-141.9 -78.4 134.1 69.4 42.1 68.6 113 113 A I - 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0 0 18 541,-0.3 3,-1.9 1,-0.2 6,-0.3 -0.585 48.8-171.9 -76.6 99.0 53.7 31.4 56.2 151 151 A V T 3 S+ 0 0 5 -2,-1.1 -1,-0.2 94,-0.3 6,-0.1 0.641 81.2 71.7 -63.4 -16.2 50.8 33.1 58.0 152 152 A N T 3 S+ 0 0 85 93,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.404 87.4 77.4 -80.1 3.2 48.8 29.8 57.6 153 153 A N S X> S- 0 0 55 -3,-1.9 4,-2.0 1,-0.1 3,-0.7 -0.966 71.5-155.5-114.8 115.6 51.2 28.4 60.2 154 154 A P H 3> S+ 0 0 85 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.774 96.1 56.5 -62.3 -25.2 50.4 29.5 63.8 155 155 A R H 3> S+ 0 0 142 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.813 106.4 49.8 -75.8 -30.3 54.1 28.9 64.8 156 156 A H H <> S+ 0 0 42 -3,-0.7 4,-3.1 -6,-0.3 5,-0.3 0.942 109.3 50.5 -70.6 -48.3 55.2 31.3 62.0 157 157 A R H X S+ 0 0 40 -4,-2.0 4,-2.4 -7,-0.3 -2,-0.2 0.879 110.8 51.7 -54.9 -40.5 52.8 34.1 63.1 158 158 A E H X S+ 0 0 77 -4,-1.5 4,-2.0 -5,-0.2 -1,-0.2 0.949 114.0 40.2 -62.3 -53.4 54.1 33.6 66.7 159 159 A I H X S+ 0 0 43 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.927 116.0 50.6 -64.0 -47.5 57.8 34.0 65.8 160 160 A A H X S+ 0 0 0 -4,-3.1 4,-2.2 2,-0.2 -2,-0.2 0.961 109.2 51.6 -55.9 -54.3 57.2 36.8 63.3 161 161 A A H X S+ 0 0 12 -4,-2.4 4,-2.5 -5,-0.3 3,-0.5 0.937 112.4 44.4 -47.9 -59.3 55.2 38.8 65.7 162 162 A F H X S+ 0 0 31 -4,-2.0 4,-2.7 1,-0.2 5,-0.3 0.875 108.4 57.8 -56.4 -40.7 57.8 38.6 68.5 163 163 A R H X S+ 0 0 38 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.911 111.1 45.0 -55.6 -40.9 60.6 39.4 66.0 164 164 A L H X S+ 0 0 2 -4,-2.2 4,-2.6 -3,-0.5 -2,-0.2 0.942 112.1 48.5 -68.9 -50.8 58.7 42.6 65.2 165 165 A L H < S+ 0 0 2 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.886 120.0 39.4 -58.1 -39.9 58.0 43.6 68.8 166 166 A S H X S+ 0 0 0 -4,-2.7 4,-0.5 -5,-0.2 -2,-0.2 0.912 122.7 38.3 -75.9 -45.4 61.6 43.0 69.8 167 167 A K H X S+ 0 0 12 -4,-2.6 4,-2.9 -5,-0.3 5,-0.2 0.745 93.4 78.5 -84.6 -25.1 63.3 44.4 66.8 168 168 A M H X S+ 0 0 1 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.925 98.8 45.0 -50.7 -52.7 61.3 47.5 65.8 169 169 A P H > S+ 0 0 5 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.864 112.5 52.5 -60.8 -35.0 62.8 49.7 68.5 170 170 A T H X S+ 0 0 6 -4,-0.5 4,-1.2 2,-0.2 -2,-0.2 0.945 112.1 45.5 -64.2 -47.6 66.3 48.4 67.6 171 171 A M H X S+ 0 0 1 -4,-2.9 4,-1.9 1,-0.2 3,-0.2 0.912 111.3 54.1 -60.5 -45.5 65.7 49.3 64.0 172 172 A A H X S+ 0 0 0 -4,-2.9 4,-1.8 -5,-0.2 -2,-0.2 0.915 108.4 46.4 -56.2 -49.9 64.3 52.7 64.9 173 173 A A H X S+ 0 0 3 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.754 110.5 55.3 -67.1 -24.1 67.3 53.8 67.0 174 174 A M H X S+ 0 0 11 -4,-1.2 4,-2.3 -3,-0.2 -1,-0.2 0.847 104.1 53.3 -77.0 -33.6 69.6 52.5 64.2 175 175 A C H X S+ 0 0 3 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.915 113.4 45.0 -64.3 -40.4 67.7 54.8 61.7 176 176 A Y H >X S+ 0 0 25 -4,-1.8 4,-1.1 2,-0.2 3,-0.7 0.984 113.1 46.5 -66.8 -60.2 68.4 57.7 64.1 177 177 A K H >X>S+ 0 0 0 -4,-2.6 5,-1.4 1,-0.3 3,-1.2 0.910 111.2 54.3 -48.0 -47.9 72.0 57.0 64.9 178 178 A Y H 3<5S+ 0 0 13 -4,-2.3 3,-0.5 1,-0.3 -1,-0.3 0.870 105.8 53.1 -56.1 -38.0 72.7 56.5 61.2 179 179 A S H <<5S+ 0 0 41 -4,-1.4 -1,-0.3 -3,-0.7 -2,-0.2 0.677 115.4 39.0 -73.4 -18.1 71.1 59.9 60.4 180 180 A I H <<5S- 0 0 69 -3,-1.2 -1,-0.2 -4,-1.1 -2,-0.2 0.390 110.6-113.6-112.6 2.8 73.4 61.7 62.9 181 181 A G T <5S+ 0 0 54 -4,-1.0 -3,-0.2 -3,-0.5 -4,-0.1 0.622 70.1 131.3 78.8 13.4 76.7 59.8 62.3 182 182 A Q < - 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0 0 13 -4,-1.9 -18,-0.0 -5,-0.3 -4,-0.0 -0.182 44.3-169.8 -64.7 159.4 74.2 56.6 74.4 204 204 A T B > -N 207 0E 42 3,-0.7 3,-0.8 -22,-0.1 5,-0.1 -0.875 37.9-108.1-138.2 166.8 77.7 56.7 72.9 205 205 A P T 3 S+ 0 0 111 0, 0.0 -2,-0.0 0, 0.0 -20,-0.0 0.639 107.4 77.7 -74.8 -10.5 80.9 54.6 73.7 206 206 A C T 3 S+ 0 0 116 1,-0.2 -3,-0.0 2,-0.0 0, 0.0 0.720 107.6 1.6 -72.0 -25.2 82.4 57.8 75.2 207 207 A E B < S-N 204 0E 137 -3,-0.8 -3,-0.7 0, 0.0 2,-0.3 -0.987 82.2 -91.8-160.1 156.4 80.5 57.7 78.4 208 208 A P - 0 0 107 0, 0.0 2,-0.4 0, 0.0 -2,-0.0 -0.566 40.3-141.2 -74.2 129.3 78.0 55.6 80.3 209 209 A Y - 0 0 58 -2,-0.3 2,-0.5 -5,-0.1 -6,-0.1 -0.766 11.1-158.9 -94.2 135.9 74.4 56.8 79.6 210 210 A E - 0 0 162 -2,-0.4 2,-0.3 -11,-0.0 0, 0.0 -0.960 14.0-135.1-119.9 118.1 71.9 56.9 82.5 211 211 A V - 0 0 29 -2,-0.5 -16,-0.1 1,-0.1 -15,-0.0 -0.516 17.6-126.6 -73.4 131.5 68.3 56.8 81.7 212 212 A N > - 0 0 51 -2,-0.3 4,-2.7 1,-0.2 3,-0.3 -0.709 14.3-141.3 -79.2 113.9 66.2 59.3 83.7 213 213 A P H > S+ 0 0 83 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.759 101.7 54.2 -46.4 -30.2 63.4 57.1 85.2 214 214 A I H > S+ 0 0 39 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.957 110.7 41.7 -71.2 -52.1 61.0 60.0 84.5 215 215 A L H > S+ 0 0 18 -3,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.829 113.2 57.1 -64.3 -30.8 61.8 60.3 80.8 216 216 A E H X S+ 0 0 49 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.894 107.6 45.1 -66.3 -43.1 61.8 56.5 80.7 217 217 A R H X S+ 0 0 102 -4,-1.7 4,-2.7 -5,-0.2 -2,-0.2 0.873 111.8 54.3 -68.4 -37.2 58.2 56.4 82.0 218 218 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.922 110.5 45.1 -62.0 -44.5 57.3 59.2 79.6 219 219 A M H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.920 112.2 52.1 -64.8 -42.8 58.7 57.2 76.6 220 220 A D H X S+ 0 0 14 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.903 112.9 46.5 -58.9 -39.6 56.9 54.1 78.0 221 221 A R H X S+ 0 0 39 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.852 105.9 56.5 -72.4 -35.2 53.8 56.3 78.1 222 222 A I H < S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.896 111.9 46.3 -62.5 -34.7 54.3 57.7 74.6 223 223 A L H >X S+ 0 0 0 -4,-2.1 3,-2.5 2,-0.2 4,-0.7 0.965 109.7 49.6 -70.6 -54.9 54.3 54.0 73.4 224 224 A I H >< S+ 0 0 0 -4,-2.4 3,-1.4 1,-0.3 4,-0.4 0.926 108.7 55.9 -48.6 -49.4 51.3 52.8 75.3 225 225 A L T 3< S+ 0 0 3 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.502 115.0 37.7 -66.1 -3.9 49.3 55.7 74.0 226 226 A H T <4 S+ 0 0 6 -3,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.309 81.9 106.8-127.3 6.7 50.2 54.8 70.4 227 227 A A S << S- 0 0 0 -3,-1.4 163,-1.4 -4,-0.7 2,-0.3 0.876 94.1 -14.9 -53.5 -47.5 50.0 50.9 70.6 228 228 A D - 0 0 1 -4,-0.4 -1,-0.2 162,-0.1 3,-0.1 -0.989 44.9-172.0-157.8 152.4 46.7 50.8 68.7 229 229 A H - 0 0 8 1,-0.5 6,-0.1 -2,-0.3 -161,-0.0 -0.176 45.0-114.7-140.3 45.7 43.9 52.9 67.5 230 230 A E S S- 0 0 9 -172,-0.0 -1,-0.5 5,-0.0 2,-0.2 -0.088 76.2 -3.2 57.1-162.9 41.2 50.7 66.1 231 231 A Q S S+ 0 0 3 -174,-0.2 2,-0.3 4,-0.1 603,-0.1 -0.496 81.3 132.3 -64.3 134.3 40.3 50.8 62.4 232 232 A N > - 0 0 5 -2,-0.2 4,-3.0 601,-0.2 5,-0.3 -0.967 68.0 -72.3-169.1 173.8 42.1 53.5 60.3 233 233 A A H > S+ 0 0 7 -2,-0.3 4,-1.7 1,-0.2 438,-0.2 0.863 128.4 38.1 -43.2 -53.2 44.1 54.1 57.1 234 234 A S H > S+ 0 0 2 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.828 116.1 50.5 -74.3 -33.2 47.2 52.3 58.2 235 235 A T H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.854 109.7 52.3 -73.2 -31.5 45.5 49.5 60.0 236 236 A S H X S+ 0 0 7 -4,-3.0 4,-3.6 597,-0.3 5,-0.2 0.922 107.3 52.7 -66.8 -43.7 43.3 48.8 57.0 237 237 A T H X S+ 0 0 0 -4,-1.7 4,-2.9 -5,-0.3 5,-0.4 0.955 109.1 48.7 -56.2 -50.1 46.4 48.6 54.8 238 238 A V H X S+ 0 0 0 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.886 115.5 45.3 -57.1 -39.3 47.9 46.0 57.2 239 239 A R H X S+ 0 0 26 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.910 114.4 47.0 -71.6 -42.6 44.6 44.1 57.0 240 240 A T H < S+ 0 0 35 -4,-3.6 4,-0.4 2,-0.2 -2,-0.2 0.946 117.0 41.6 -65.5 -50.5 44.2 44.4 53.2 241 241 A A H ><>S+ 0 0 3 -4,-2.9 3,-1.3 -5,-0.2 5,-1.2 0.913 113.6 57.0 -63.0 -40.9 47.8 43.4 52.4 242 242 A G H ><5S+ 0 0 1 -4,-1.7 3,-2.0 -5,-0.4 -2,-0.2 0.907 100.1 54.4 -57.7 -46.3 47.5 40.7 55.1 243 243 A S T 3<5S+ 0 0 27 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.555 98.4 65.6 -69.1 -4.8 44.5 38.9 53.7 244 244 A S T < 5S- 0 0 6 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.444 121.9-104.0 -92.6 -2.6 46.3 38.5 50.3 245 245 A G T < 5 + 0 0 16 -3,-2.0 -94,-0.3 1,-0.3 -3,-0.2 0.360 66.3 158.2 96.4 -5.0 48.9 36.2 52.0 246 246 A A < - 0 0 1 -5,-1.2 -1,-0.3 1,-0.1 439,-0.1 -0.194 50.2 -99.5 -51.2 140.8 51.6 38.9 52.1 247 247 A N > - 0 0 2 437,-0.2 4,-2.2 1,-0.1 3,-0.1 -0.271 30.0-110.1 -66.5 153.4 54.1 38.0 54.8 248 248 A P H > S+ 0 0 3 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.843 115.6 53.8 -49.8 -43.5 53.9 39.8 58.2 249 249 A F H > S+ 0 0 1 2,-0.2 4,-2.6 1,-0.2 5,-0.1 0.955 109.9 46.9 -59.9 -50.7 57.0 41.9 57.8 250 250 A A H > S+ 0 0 17 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.894 111.6 53.9 -56.9 -40.9 55.8 43.3 54.5 251 251 A C H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.964 109.6 45.1 -58.8 -53.3 52.4 43.9 56.2 252 252 A I H X S+ 0 0 1 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.869 111.7 55.4 -59.1 -35.6 54.1 45.9 59.0 253 253 A A H X S+ 0 0 13 -4,-2.6 4,-1.9 -115,-0.3 -1,-0.2 0.912 107.9 46.5 -64.5 -42.7 56.1 47.7 56.3 254 254 A A H X S+ 0 0 7 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.819 110.8 54.4 -68.8 -30.2 53.0 48.9 54.4 255 255 A G H X S+ 0 0 0 -4,-1.9 4,-1.8 -5,-0.2 -2,-0.2 0.916 107.4 50.0 -67.8 -41.4 51.5 49.9 57.7 256 256 A I H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.879 112.4 47.0 -63.7 -39.0 54.5 52.1 58.4 257 257 A A H X S+ 0 0 2 -4,-1.9 4,-1.6 1,-0.2 417,-0.3 0.827 110.2 52.8 -72.6 -31.9 54.3 53.7 55.0 258 258 A S H < S+ 0 0 4 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.827 109.5 49.7 -70.7 -32.2 50.6 54.3 55.4 259 259 A L H < S+ 0 0 39 -4,-1.8 4,-0.3 1,-0.2 -2,-0.2 0.891 113.1 45.1 -72.1 -41.5 51.3 56.0 58.7 260 260 A W H >X S+ 0 0 14 -4,-1.9 3,-1.9 1,-0.2 4,-0.6 0.783 91.3 98.4 -69.7 -29.9 53.9 58.2 57.2 261 261 A G G >< S+ 0 0 2 -4,-1.6 3,-0.7 1,-0.3 317,-0.2 0.734 78.2 44.8 -24.8 -69.9 51.6 58.9 54.2 262 262 A P G >4 S+ 0 0 44 0, 0.0 3,-1.1 0, 0.0 -1,-0.3 0.774 100.1 74.9 -56.5 -26.6 50.0 62.3 55.1 263 263 A A G <4 S+ 0 0 23 -3,-1.9 2,-0.8 1,-0.3 -2,-0.2 0.910 96.8 43.3 -53.1 -53.5 53.5 63.7 56.1 264 264 A H G << S+ 0 0 12 -3,-0.7 314,-0.4 -4,-0.6 -1,-0.3 -0.274 79.1 123.5 -91.1 50.2 54.8 64.1 52.6 265 265 A G < - 0 0 8 -3,-1.1 2,-2.7 -2,-0.8 3,-0.3 0.117 70.0-129.2 -98.2 21.5 51.6 65.5 51.3 266 266 A G S > S+ 0 0 15 1,-0.3 4,-2.4 -3,-0.2 5,-0.2 -0.336 102.8 50.1 70.4 -67.5 52.9 68.8 49.9 267 267 A A H > S+ 0 0 38 -2,-2.7 4,-1.4 2,-0.2 -1,-0.3 0.892 119.0 38.7 -69.7 -40.7 50.4 71.1 51.6 268 268 A N H > S+ 0 0 32 -3,-0.3 4,-2.9 -6,-0.2 5,-0.3 0.952 114.4 55.4 -71.3 -51.5 51.1 69.4 55.0 269 269 A E H > S+ 0 0 82 -7,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.905 107.7 48.6 -45.0 -55.0 54.8 69.1 54.2 270 270 A A H X S+ 0 0 49 -4,-2.4 4,-0.9 1,-0.2 -1,-0.2 0.899 114.7 45.0 -55.9 -46.3 55.2 72.9 53.6 271 271 A A H >X S+ 0 0 9 -4,-1.4 4,-1.3 1,-0.2 3,-0.8 0.910 104.0 60.3 -66.6 -47.6 53.3 73.8 56.8 272 272 A L H 3X S+ 0 0 37 -4,-2.9 4,-2.6 1,-0.3 3,-0.4 0.867 105.2 51.0 -49.5 -40.5 55.0 71.4 59.2 273 273 A K H 3< S+ 0 0 96 -4,-1.4 5,-0.4 -5,-0.3 -1,-0.3 0.836 101.7 62.4 -66.5 -32.7 58.3 73.1 58.3 274 274 A M H S+ 0 0 129 3,-0.1 4,-1.1 4,-0.0 6,-0.2 0.552 101.1 27.2-118.8 -57.0 57.7 86.9 68.2 283 283 A N T 4>S+ 0 0 36 2,-0.2 5,-3.6 5,-0.1 7,-0.3 0.994 121.6 43.5 -71.5 -79.9 55.9 85.0 65.4 284 284 A I T >45S+ 0 0 2 4,-0.2 3,-1.2 3,-0.2 6,-0.2 0.861 117.9 47.5 -37.3 -55.3 54.2 82.0 67.0 285 285 A P T 345S+ 0 0 9 0, 0.0 2,-1.1 0, 0.0 -1,-0.2 0.968 109.8 48.1 -55.2 -62.7 52.8 84.1 69.9 286 286 A E T 3<5S- 0 0 87 -4,-1.1 -2,-0.2 1,-0.2 -3,-0.1 0.045 122.4-105.0 -70.8 30.7 51.5 87.1 68.0 287 287 A F T < 5S+ 0 0 129 -3,-1.2 -3,-0.2 -2,-1.1 -1,-0.2 0.836 83.9 135.5 46.4 37.2 49.8 84.5 65.7 288 288 A V S > > + 0 0 2 2,-0.2 3,-2.3 1,-0.1 5,-2.1 0.938 60.8 47.5 -85.1 -51.9 46.7 70.9 61.7 299 299 A R G > 5S+ 0 0 83 3,-0.3 3,-0.6 1,-0.3 -1,-0.1 0.783 106.0 63.9 -61.8 -24.4 46.5 67.3 62.9 300 300 A L G 3 5S+ 0 0 52 1,-0.3 -1,-0.3 2,-0.1 -2,-0.2 0.545 108.2 39.9 -74.7 -7.7 49.9 66.9 61.4 301 301 A M G < 5S- 0 0 20 -3,-2.3 -1,-0.3 2,-0.2 -2,-0.2 0.261 136.2 -91.6-116.5 0.5 51.1 69.4 64.0 302 302 A G T < 5S+ 0 0 1 -3,-0.6 58,-2.5 -4,-0.3 2,-0.4 0.754 83.5 130.4 94.9 30.1 48.8 67.8 66.6 303 303 A F B < -O 359 0F 3 -5,-2.1 -1,-0.3 56,-0.2 -2,-0.2 -0.956 57.5 -6.7-122.1 133.6 45.6 69.8 66.2 304 304 A G - 0 0 7 54,-3.1 2,-0.3 -2,-0.4 53,-0.2 0.041 68.7-117.8 76.4 168.9 42.1 68.5 65.8 305 305 A H - 0 0 33 51,-0.4 -1,-0.1 3,-0.2 53,-0.1 -0.990 7.0-144.2-151.9 143.3 41.0 64.9 65.3 306 306 A R S S+ 0 0 95 -2,-0.3 -1,-0.1 1,-0.1 -245,-0.0 0.905 101.7 21.4 -68.9 -45.2 39.2 62.8 62.7 307 307 A V S S+ 0 0 31 1,-0.1 2,-0.2 -247,-0.0 -243,-0.1 0.943 106.8 74.9 -89.5 -60.8 37.3 60.5 65.1 308 308 A Y - 0 0 3 1,-0.1 -246,-0.2 -245,-0.1 -3,-0.2 -0.389 63.8-152.4 -64.6 123.4 37.1 62.3 68.5 309 309 A K S S- 0 0 99 -248,-3.3 -247,-0.1 -2,-0.2 -4,-0.1 0.895 82.4 -1.7 -62.6 -48.5 34.5 65.1 68.6 310 310 A N S S+ 0 0 67 -249,-0.4 2,-0.3 1,-0.4 -1,-0.1 0.626 127.1 9.2-123.3 -20.2 36.0 67.4 71.3 311 311 A Y - 0 0 115 -250,-0.3 -1,-0.4 47,-0.0 49,-0.1 -0.978 66.2-112.2-163.0 152.0 39.1 65.9 72.8 312 312 A D > - 0 0 2 47,-0.5 3,-2.1 -2,-0.3 4,-0.5 -0.781 23.8-152.6 -88.1 106.2 41.6 63.1 72.2 313 313 A P T > S+ 0 0 10 0, 0.0 3,-1.2 0, 0.0 4,-0.5 0.840 96.7 57.0 -49.0 -35.5 41.1 60.7 75.2 314 314 A R T 3> S+ 0 0 14 1,-0.2 4,-1.2 2,-0.1 3,-0.3 0.783 95.3 67.3 -67.4 -25.9 44.8 59.7 74.8 315 315 A A H <> S+ 0 0 10 -3,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.596 82.5 75.3 -72.6 -11.6 45.8 63.3 75.2 316 316 A T H <> S+ 0 0 63 -3,-1.2 4,-1.4 -4,-0.5 -1,-0.2 0.976 104.6 32.6 -65.4 -54.3 44.7 63.5 78.9 317 317 A V H > S+ 0 0 7 -4,-0.5 4,-2.4 -3,-0.3 5,-0.2 0.843 115.2 59.4 -71.9 -32.4 47.6 61.5 80.3 318 318 A M H X S+ 0 0 0 -4,-1.2 4,-2.8 2,-0.2 -1,-0.2 0.853 104.1 51.1 -65.6 -34.6 50.2 62.7 77.7 319 319 A R H X S+ 0 0 116 -4,-1.5 4,-3.0 2,-0.2 -1,-0.2 0.950 112.8 44.1 -67.8 -47.4 49.6 66.4 78.7 320 320 A E H X S+ 0 0 130 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.881 116.1 48.6 -64.3 -34.6 50.2 65.6 82.4 321 321 A T H X S+ 0 0 1 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.910 110.1 52.7 -67.5 -41.4 53.2 63.5 81.3 322 322 A C H X S+ 0 0 6 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.934 108.6 49.2 -58.3 -49.1 54.2 66.4 79.2 323 323 A H H X S+ 0 0 106 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.939 111.2 50.0 -56.7 -49.5 54.0 68.7 82.2 324 324 A E H X S+ 0 0 59 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.905 110.3 49.0 -57.3 -46.5 56.1 66.3 84.3 325 325 A V H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.927 109.6 51.3 -61.4 -47.1 58.9 65.9 81.8 326 326 A L H < S+ 0 0 40 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.896 111.0 47.9 -58.1 -42.9 59.3 69.6 81.2 327 327 A K H >< S+ 0 0 148 -4,-2.0 3,-0.6 1,-0.2 -1,-0.2 0.786 112.2 51.4 -69.4 -26.5 59.6 70.3 84.9 328 328 A E H 3< S+ 0 0 90 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.871 105.5 53.3 -77.3 -38.7 62.1 67.5 85.2 329 329 A L T 3< S- 0 0 67 -4,-2.5 3,-0.3 1,-0.2 -1,-0.2 0.271 114.5-120.0 -81.3 14.4 64.3 68.8 82.3 330 330 A G < - 0 0 32 -3,-0.6 2,-1.5 1,-0.2 -1,-0.2 0.314 34.9 -67.8 64.7 159.6 64.5 72.1 84.1 331 331 A T S S+ 0 0 145 -4,-0.1 2,-0.2 1,-0.1 -1,-0.2 -0.555 87.4 115.4 -90.5 76.2 63.4 75.4 82.7 332 332 A K + 0 0 185 -2,-1.5 -1,-0.1 -3,-0.3 4,-0.1 -0.781 44.4 118.6-132.5 70.4 65.8 76.1 79.8 333 333 A D + 0 0 32 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.1 -0.003 22.2 143.2-133.5 27.6 62.7 75.8 77.6 334 334 A D S > S+ 0 0 104 1,-0.2 3,-0.9 2,-0.2 4,-0.1 0.857 80.7 31.2 -31.4 -83.6 62.6 79.3 76.0 335 335 A L G > S+ 0 0 115 1,-0.3 3,-2.0 2,-0.2 2,-1.2 0.865 112.5 66.2 -48.6 -43.5 61.5 78.4 72.5 336 336 A L G 3 S+ 0 0 23 1,-0.3 -1,-0.3 2,-0.2 -2,-0.2 -0.019 81.8 78.4 -74.7 35.8 59.6 75.4 73.9 337 337 A E G <> S+ 0 0 86 -2,-1.2 4,-1.3 -3,-0.9 -1,-0.3 0.218 72.0 78.2-118.2 0.1 57.3 77.9 75.6 338 338 A V H <> S+ 0 0 16 -3,-2.0 4,-3.0 2,-0.2 5,-0.2 0.574 83.8 68.3 -79.6 -13.4 55.6 78.3 72.2 339 339 A A H > S+ 0 0 12 2,-0.2 4,-1.9 -4,-0.2 -1,-0.2 0.925 102.4 40.6 -68.1 -46.0 54.1 75.0 73.4 340 340 A M H > S+ 0 0 145 2,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.833 115.7 53.5 -69.4 -34.2 52.2 77.0 76.1 341 341 A E H X S+ 0 0 67 -4,-1.3 4,-1.4 2,-0.2 -2,-0.2 0.938 110.4 44.6 -65.9 -51.5 51.5 79.7 73.6 342 342 A L H X S+ 0 0 9 -4,-3.0 4,-2.8 1,-0.2 5,-0.2 0.882 108.6 55.5 -63.5 -42.4 50.0 77.4 71.0 343 343 A E H X S+ 0 0 27 -4,-1.9 4,-1.3 1,-0.2 -1,-0.2 0.910 107.5 52.1 -58.8 -38.3 47.8 75.5 73.4 344 344 A N H X S+ 0 0 96 -4,-1.3 4,-2.5 1,-0.2 5,-0.3 0.863 111.6 45.2 -65.5 -36.5 46.4 78.8 74.5 345 345 A I H X S+ 0 0 17 -4,-1.4 4,-2.3 2,-0.2 7,-0.3 0.872 107.8 57.3 -74.1 -37.5 45.5 79.7 70.9 346 346 A A H < S+ 0 0 4 -4,-2.8 11,-0.2 1,-0.2 -1,-0.2 0.797 119.0 32.7 -63.2 -28.3 44.1 76.3 70.1 347 347 A L H < S+ 0 0 96 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.806 128.5 33.2 -96.9 -37.5 41.6 76.8 73.0 348 348 A N H < S+ 0 0 97 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.689 88.6 98.5 -97.4 -20.7 41.0 80.5 73.0 349 349 A D X - 0 0 46 -4,-2.3 4,-2.9 -5,-0.3 5,-0.2 -0.547 69.1-139.2 -72.4 125.5 41.2 81.5 69.3 350 350 A P H > S+ 0 0 78 0, 0.0 4,-3.4 0, 0.0 5,-0.2 0.894 103.0 53.3 -49.0 -43.8 37.7 81.8 67.8 351 351 A Y H > S+ 0 0 91 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.964 112.5 41.1 -56.4 -57.7 39.0 80.2 64.6 352 352 A F H >>S+ 0 0 5 -7,-0.3 5,-1.6 1,-0.2 4,-0.6 0.838 115.9 53.2 -60.4 -33.4 40.5 77.1 66.4 353 353 A I H <5S+ 0 0 77 -4,-2.9 3,-0.3 3,-0.2 -2,-0.2 0.971 113.6 41.1 -65.6 -52.9 37.4 77.0 68.6 354 354 A E H <5S+ 0 0 137 -4,-3.4 -2,-0.2 1,-0.2 -3,-0.2 0.936 123.1 36.8 -61.0 -52.4 35.0 77.0 65.7 355 355 A K H <5S- 0 0 92 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.520 107.9-129.4 -80.3 -2.2 37.0 74.6 63.4 356 356 A K T <5 + 0 0 93 -4,-0.6 2,-1.3 -5,-0.3 -51,-0.4 0.940 41.6 168.6 53.0 57.6 38.0 72.6 66.6 357 357 A L < + 0 0 6 -5,-1.6 -1,-0.2 -11,-0.2 -5,-0.1 -0.552 21.2 167.6 -93.5 66.2 41.7 72.4 66.0 358 358 A Y - 0 0 22 -2,-1.3 -54,-3.1 -55,-0.1 2,-0.1 -0.584 45.9 -91.3 -84.8 146.2 42.2 71.2 69.6 359 359 A P B -O 303 0F 12 0, 0.0 -47,-0.5 0, 0.0 -56,-0.2 -0.332 49.4-165.9 -56.0 122.7 45.5 69.7 70.8 360 360 A N >> - 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0 0 69 -5,-2.8 -1,-0.2 -6,-0.1 -2,-0.1 -0.901 60.6 -94.1-114.2 148.3 76.8 37.0 37.9 610 1183 B P - 0 0 73 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.198 46.0 -99.9 -59.6 151.9 77.6 40.7 37.4 611 1184 B F - 0 0 49 -7,-0.0 2,-0.4 1,-0.0 17,-0.1 -0.450 32.3-138.3 -72.6 144.0 74.8 43.2 36.9 612 1185 B V - 0 0 26 15,-0.4 -11,-0.1 -15,-0.2 3,-0.1 -0.870 12.7-133.5-106.8 136.1 74.0 44.3 33.3 613 1186 B Y - 0 0 124 -2,-0.4 -74,-0.1 1,-0.1 -75,-0.0 -0.412 34.6 -88.5 -82.5 160.8 73.2 48.0 32.5 614 1187 B P - 0 0 18 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.305 32.0-138.1 -66.5 155.9 70.2 49.0 30.4 615 1188 B R > - 0 0 104 4,-0.1 3,-2.8 1,-0.1 8,-0.1 -0.889 6.1-160.1-119.8 96.2 70.7 49.2 26.6 616 1189 B N T 3 S+ 0 0 87 -2,-0.6 -1,-0.1 1,-0.3 -81,-0.1 0.626 92.3 56.3 -51.2 -13.6 69.0 52.3 25.3 617 1190 B D T 3 S+ 0 0 110 2,-0.1 -1,-0.3 -82,-0.0 2,-0.2 0.590 94.0 80.5 -96.4 -12.9 69.0 50.7 21.8 618 1191 B L S < S- 0 0 41 -3,-2.8 -3,-0.0 1,-0.1 2,-0.0 -0.552 84.3-106.9 -91.9 160.2 67.2 47.5 22.8 619 1192 B S > - 0 0 40 -2,-0.2 4,-3.6 1,-0.1 5,-0.3 -0.264 38.2 -96.7 -77.1 170.9 63.4 47.1 23.2 620 1193 B Y H > S+ 0 0 23 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.958 125.2 34.6 -52.2 -60.0 61.7 46.8 26.6 621 1194 B A H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.808 119.6 51.2 -67.7 -32.3 61.5 43.0 26.5 622 1195 B G H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.897 108.4 51.4 -71.8 -39.8 64.8 42.7 24.7 623 1196 B N H X S+ 0 0 12 -4,-3.6 4,-2.8 2,-0.2 -2,-0.2 0.900 110.2 50.0 -62.7 -39.9 66.6 44.9 27.2 624 1197 B F H X S+ 0 0 0 -4,-1.9 4,-1.9 -5,-0.3 -1,-0.2 0.941 110.9 48.6 -64.2 -46.3 65.1 42.8 30.0 625 1198 B L H X S+ 0 0 6 -4,-2.1 4,-2.6 1,-0.2 5,-0.4 0.918 112.3 49.8 -59.6 -41.3 66.4 39.6 28.3 626 1199 B N H X S+ 0 0 9 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.932 112.1 46.2 -62.2 -47.0 69.8 41.3 27.9 627 1200 B M H < S+ 0 0 0 -4,-2.8 -15,-0.4 1,-0.2 -1,-0.2 0.758 115.0 49.9 -67.9 -24.3 70.0 42.3 31.5 628 1201 B M H < S+ 0 0 0 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.928 128.8 11.8 -79.3 -48.7 68.9 38.8 32.6 629 1202 B F H < S+ 0 0 41 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.543 93.6 106.5-113.1 -9.2 71.2 36.6 30.5 630 1203 B S < - 0 0 13 -4,-2.5 -18,-0.0 -5,-0.4 -4,-0.0 -0.341 43.1-172.9 -70.6 159.8 74.0 38.7 29.1 631 1204 B T B > -R 634 0H 40 3,-0.7 3,-0.7 -22,-0.0 -2,-0.0 -0.906 37.3-114.1-143.2 160.2 77.5 38.5 30.6 632 1205 B P T 3 S+ 0 0 109 0, 0.0 -2,-0.0 0, 0.0 -20,-0.0 0.649 104.9 78.8 -75.5 -10.9 80.7 40.5 29.8 633 1206 B C T 3 S- 0 0 116 1,-0.2 -3,-0.0 2,-0.0 0, 0.0 0.738 108.7 -2.3 -68.6 -28.2 82.3 37.4 28.4 634 1207 B E B < S-R 631 0H 137 -3,-0.7 -3,-0.7 0, 0.0 -1,-0.2 -0.979 82.7 -91.7-161.2 152.6 80.5 37.5 25.1 635 1208 B P - 0 0 123 0, 0.0 2,-0.4 0, 0.0 -2,-0.0 -0.345 44.3-125.7 -66.3 151.5 77.9 39.6 23.3 636 1209 B Y - 0 0 90 -5,-0.0 2,-0.6 2,-0.0 -6,-0.1 -0.826 10.3-143.7-105.0 140.3 74.3 38.4 23.7 637 1210 B E - 0 0 171 -2,-0.4 2,-1.0 -11,-0.0 0, 0.0 -0.889 10.2-145.1-103.0 123.4 71.9 37.6 20.9 638 1211 B V - 0 0 33 -2,-0.6 -16,-0.1 4,-0.0 -15,-0.0 -0.755 17.5-140.7 -89.7 99.9 68.3 38.6 21.5 639 1212 B N > - 0 0 38 -2,-1.0 4,-2.5 1,-0.1 5,-0.1 -0.375 6.2-139.5 -60.0 134.2 66.3 35.9 19.7 640 1213 B P H > S+ 0 0 92 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.822 100.7 50.0 -65.1 -35.9 63.2 37.5 18.0 641 1214 B I H > S+ 0 0 38 2,-0.2 4,-1.8 1,-0.2 111,-0.1 0.844 115.2 43.2 -73.8 -34.2 60.8 34.8 19.0 642 1215 B L H > S+ 0 0 23 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.878 111.7 55.2 -76.6 -38.1 61.9 34.9 22.6 643 1216 B E H X S+ 0 0 58 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.931 113.1 41.8 -58.6 -46.1 61.9 38.6 22.5 644 1217 B R H X S+ 0 0 115 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.858 110.4 56.6 -70.7 -37.1 58.2 38.5 21.4 645 1218 B A H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.956 109.9 46.0 -59.0 -49.2 57.3 35.7 23.8 646 1219 B M H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.932 109.1 53.6 -58.8 -50.2 58.5 37.8 26.8 647 1220 B D H X S+ 0 0 21 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.889 109.8 49.6 -54.5 -39.2 56.8 41.0 25.6 648 1221 B R H X S+ 0 0 15 -4,-2.0 4,-3.6 2,-0.2 -1,-0.2 0.882 105.6 55.1 -67.3 -39.8 53.5 39.0 25.4 649 1222 B I H X S+ 0 0 1 -4,-2.0 4,-0.6 1,-0.2 -1,-0.2 0.909 110.3 48.5 -58.5 -39.2 54.0 37.7 28.9 650 1223 B L H >X S+ 0 0 1 -4,-2.3 3,-0.7 2,-0.2 4,-0.6 0.924 112.8 46.8 -65.9 -45.2 54.3 41.3 29.9 651 1224 B I H >< S+ 0 0 0 -4,-2.3 3,-1.5 1,-0.2 4,-0.4 0.955 109.7 52.9 -60.8 -52.4 51.1 42.2 28.0 652 1225 B L H 3< S+ 0 0 1 -4,-3.6 -1,-0.2 1,-0.3 -2,-0.2 0.624 117.5 38.5 -62.1 -12.8 49.1 39.3 29.4 653 1226 B H H << S+ 0 0 3 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.360 81.6 108.7-117.2 3.2 50.0 40.3 32.9 654 1227 B A S << S- 0 0 0 -3,-1.5 163,-0.7 -4,-0.6 2,-0.3 0.821 92.5 -13.4 -49.1 -40.3 49.8 44.1 32.5 655 1228 B D - 0 0 0 -4,-0.4 -1,-0.2 162,-0.1 160,-0.1 -0.975 45.0-171.7-165.5 149.1 46.6 44.3 34.6 656 1229 B H - 0 0 13 1,-0.4 6,-0.1 -2,-0.3 3,-0.1 -0.110 42.5-115.2-140.3 47.4 43.8 42.2 36.1 657 1230 B E S S- 0 0 36 1,-0.2 2,-2.1 -172,-0.0 -1,-0.4 -0.056 76.8 -12.0 57.1-164.5 41.1 44.4 37.5 658 1231 B Q S S+ 0 0 4 -174,-0.2 -1,-0.2 -250,-0.1 -180,-0.1 -0.377 87.0 146.1 -65.4 60.1 40.2 44.6 41.3 659 1232 B N > - 0 0 29 -2,-2.1 4,-1.6 -252,-0.1 5,-0.1 -0.200 62.3 -87.7 -88.9-172.7 42.2 41.7 42.6 660 1233 B A H > S+ 0 0 19 2,-0.2 4,-1.8 1,-0.2 3,-0.2 0.947 123.6 45.4 -60.9 -57.3 44.0 41.2 46.0 661 1234 B S H > S+ 0 0 4 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.893 115.9 48.9 -57.7 -38.3 47.4 42.7 45.2 662 1235 B T H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.809 107.3 54.5 -72.4 -27.7 45.6 45.7 43.5 663 1236 B S H X S+ 0 0 20 -4,-1.6 4,-1.9 -3,-0.2 -1,-0.2 0.808 107.2 52.2 -72.8 -29.0 43.3 46.1 46.5 664 1237 B T H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.920 111.6 46.2 -70.4 -43.0 46.4 46.4 48.6 665 1238 B V H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.932 113.8 47.0 -63.9 -48.4 47.8 49.0 46.3 666 1239 B R H X S+ 0 0 16 -4,-2.7 4,-1.2 1,-0.2 -1,-0.2 0.890 115.4 46.8 -61.0 -40.6 44.6 51.1 46.2 667 1240 B T H X S+ 0 0 15 -4,-1.9 4,-1.0 2,-0.2 166,-0.4 0.856 113.4 46.9 -72.1 -36.5 44.2 50.9 49.9 668 1241 B A H >X>S+ 0 0 2 -4,-2.2 5,-1.4 1,-0.2 4,-0.7 0.939 112.8 50.1 -69.7 -45.6 47.8 51.8 50.7 669 1242 B G H ><5S+ 0 0 0 -4,-2.8 3,-0.6 1,-0.2 -2,-0.2 0.798 101.1 65.0 -62.1 -27.5 47.6 54.7 48.2 670 1243 B S H 3<5S+ 0 0 1 -4,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.898 97.7 53.1 -62.8 -40.7 44.4 55.8 49.9 671 1244 B S H <<5S- 0 0 7 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.714 124.8-105.4 -65.8 -22.1 46.2 56.6 53.1 672 1245 B G T <<5 + 0 0 2 -4,-0.7 -94,-0.4 -3,-0.6 -3,-0.2 0.431 61.0 166.5 108.5 3.3 48.6 58.7 51.0 673 1246 B A < - 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