==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 16-MAR-12 4E6Y . COMPND 2 MOLECULE: CITRATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO VULNIFICUS; . AUTHOR J.OSIPIUK,M.GU,K.KWON,W.F.ANDERSON,A.JOACHIMIAK,CENTER FOR S . 426 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23141.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 277 65.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 4.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 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 . 2 0.5 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 . 21 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 181 42.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.6 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 1 2 0 1 0 1 3 1 1 4 0 0 1 1 0 0 0 0 1 0 0 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 2 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 3 A D 0 0 189 0, 0.0 18,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 10.9 22.2 61.7 11.8 2 4 A K - 0 0 124 15,-0.1 16,-1.5 16,-0.1 2,-0.3 0.041 360.0-157.8 -59.4 169.5 25.7 61.2 10.3 3 5 A K E -A 17 0A 100 14,-0.2 2,-0.3 25,-0.0 12,-0.1 -0.975 10.4-137.9-148.9 149.7 26.5 60.3 6.7 4 6 A A E -A 16 0A 27 12,-2.2 12,-2.6 -2,-0.3 2,-0.5 -0.839 18.8-144.4-104.1 152.0 29.3 58.8 4.7 5 7 A T E -A 15 0A 83 -2,-0.3 2,-0.5 10,-0.2 10,-0.2 -0.984 6.4-159.3-121.6 136.8 30.4 60.2 1.5 6 8 A L E -A 14 0A 76 8,-1.9 8,-2.4 -2,-0.5 2,-0.4 -0.964 10.6-168.0-114.1 123.7 31.6 58.1 -1.4 7 9 A H - 0 0 126 -2,-0.5 5,-0.1 6,-0.2 -2,-0.0 -0.864 9.2-175.3-112.7 144.7 33.7 59.8 -4.0 8 10 A V - 0 0 52 3,-0.5 -1,-0.2 -2,-0.4 4,-0.1 0.721 49.4 -81.3-101.4 -92.5 34.7 58.5 -7.4 9 11 A E S S- 0 0 154 3,-0.1 -2,-0.0 0, 0.0 3,-0.0 0.446 110.7 -1.4-143.6 -54.0 37.1 60.5 -9.6 10 12 A G S S+ 0 0 75 2,-0.1 2,-0.3 -3,-0.0 -3,-0.0 0.162 110.0 98.9-129.1 10.2 35.3 63.3 -11.5 11 13 A K S S- 0 0 100 1,-0.1 -3,-0.5 3,-0.0 3,-0.1 -0.699 81.4 -95.2 -93.9 154.8 31.8 62.6 -10.2 12 14 A A - 0 0 66 -2,-0.3 -4,-0.1 1,-0.1 -1,-0.1 -0.192 51.5 -82.7 -64.5 154.5 30.1 64.5 -7.3 13 15 A P - 0 0 84 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 -0.320 42.1-136.9 -54.6 140.5 30.2 63.1 -3.7 14 16 A I E -A 6 0A 7 -8,-2.4 -8,-1.9 -3,-0.1 2,-0.6 -0.887 12.0-142.3-100.3 131.9 27.5 60.5 -3.0 15 17 A E E -A 5 0A 136 -2,-0.4 -10,-0.2 -10,-0.2 -12,-0.0 -0.871 19.3-177.5-102.5 116.8 25.7 60.8 0.4 16 18 A L E -A 4 0A 14 -12,-2.6 -12,-2.2 -2,-0.6 14,-0.1 -0.928 26.2-122.4-116.5 117.8 24.9 57.6 2.2 17 19 A P E -A 3 0A 43 0, 0.0 12,-2.9 0, 0.0 2,-0.5 -0.169 19.7-141.7 -54.1 143.1 22.9 57.5 5.5 18 20 A I E -B 28 0B 46 -16,-1.5 2,-0.4 10,-0.2 10,-0.2 -0.943 18.5-164.9-105.5 129.6 24.7 55.9 8.4 19 21 A X E -B 27 0B 68 8,-2.9 8,-2.6 -2,-0.5 2,-0.4 -0.910 2.9-161.1-115.9 146.7 22.4 53.9 10.7 20 22 A E - 0 0 128 -2,-0.4 2,-0.2 6,-0.2 5,-0.1 -0.933 5.5-149.1-123.1 148.0 23.1 52.6 14.2 21 23 A G - 0 0 56 -2,-0.4 3,-0.1 3,-0.4 31,-0.0 -0.443 40.3 -91.8-102.3-176.9 21.4 49.9 16.1 22 24 A S S S+ 0 0 128 1,-0.2 2,-0.3 -2,-0.2 -1,-0.0 0.768 111.4 3.7 -58.7 -31.6 20.9 49.3 19.8 23 25 A L S S+ 0 0 99 2,-0.1 -1,-0.2 0, 0.0 -2,-0.1 -0.984 103.9 14.8-152.0 156.6 24.2 47.4 19.7 24 26 A G S S+ 0 0 39 -2,-0.3 -3,-0.4 -3,-0.1 35,-0.1 -0.133 90.6 8.9 80.6-165.2 27.0 46.4 17.4 25 27 A T - 0 0 127 -5,-0.1 -4,-0.1 1,-0.1 2,-0.1 -0.156 66.2-127.6 -63.1 130.9 28.4 47.5 14.0 26 28 A P - 0 0 75 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 -0.490 26.6-135.0 -70.9 155.3 26.9 50.6 12.4 27 29 A V E -B 19 0B 57 -8,-2.6 -8,-2.9 -2,-0.1 2,-0.7 -0.896 5.4-135.7-120.5 143.5 25.7 50.3 8.7 28 30 A I E -B 18 0B 93 -2,-0.3 2,-0.7 -10,-0.2 -10,-0.2 -0.854 27.5-132.0 -96.3 112.8 26.0 52.3 5.6 29 31 A D + 0 0 25 -12,-2.9 3,-0.3 -2,-0.7 -1,-0.0 -0.505 33.6 168.0 -71.9 107.3 22.7 52.6 3.8 30 32 A V > + 0 0 59 -2,-0.7 3,-2.7 1,-0.2 4,-0.4 0.234 35.9 119.3-101.8 15.6 23.2 51.7 0.2 31 33 A R T 3 S+ 0 0 159 1,-0.3 3,-0.3 2,-0.1 -1,-0.2 0.786 84.7 39.5 -54.8 -26.7 19.5 51.4 -0.9 32 34 A K T 3> S+ 0 0 168 -3,-0.3 4,-0.6 1,-0.2 3,-0.4 0.283 82.6 103.6-107.1 11.1 20.0 54.2 -3.4 33 35 A L T X4>S+ 0 0 13 -3,-2.7 3,-1.3 1,-0.2 5,-1.2 0.844 72.8 63.9 -60.5 -32.8 23.4 53.3 -4.6 34 36 A G G >45S+ 0 0 36 -4,-0.4 3,-2.4 -3,-0.3 -1,-0.2 0.892 94.0 58.7 -64.1 -43.9 22.0 51.9 -7.9 35 37 A A G 345S+ 0 0 98 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.2 0.677 102.0 56.3 -54.3 -24.7 20.6 55.2 -9.0 36 38 A N G <<5S- 0 0 53 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.422 125.3-101.8 -91.6 2.0 24.2 56.6 -8.9 37 39 A G T < 5S+ 0 0 60 -3,-2.4 2,-0.3 1,-0.3 -3,-0.2 0.645 85.8 93.2 95.6 17.9 25.4 53.8 -11.2 38 40 A Y < - 0 0 103 -5,-1.2 2,-0.3 -4,-0.0 -1,-0.3 -0.959 46.8-163.9-133.2 153.2 27.1 51.3 -8.9 39 41 A F - 0 0 108 -2,-0.3 2,-0.2 -3,-0.1 0, 0.0 -0.884 32.5-112.2-115.1 164.6 26.3 48.2 -7.0 40 42 A T - 0 0 80 -2,-0.3 2,-0.5 -10,-0.1 369,-0.1 -0.517 21.8-133.7 -80.5 162.7 28.5 46.9 -4.2 41 43 A F + 0 0 158 -2,-0.2 369,-0.0 2,-0.0 0, 0.0 -0.982 36.5 155.4-120.7 122.4 30.4 43.6 -4.6 42 44 A D > - 0 0 39 -2,-0.5 3,-2.0 4,-0.0 2,-0.1 -0.629 27.1-155.9-152.2 79.2 30.1 41.2 -1.7 43 45 A P G > S+ 0 0 83 0, 0.0 3,-0.8 0, 0.0 4,-0.1 -0.397 89.9 7.1 -55.4 125.5 30.7 37.5 -2.1 44 46 A G G 3 S- 0 0 59 1,-0.2 4,-0.1 -2,-0.1 0, 0.0 0.314 109.4-101.0 81.8 -9.9 28.8 35.6 0.7 45 47 A F G X S+ 0 0 123 -3,-2.0 3,-1.8 1,-0.1 -1,-0.2 0.780 71.4 154.6 62.3 28.1 27.3 38.9 1.9 46 48 A L T < S+ 0 0 155 -3,-0.8 -1,-0.1 1,-0.3 -2,-0.1 0.677 76.6 29.9 -62.2 -19.3 29.9 39.0 4.6 47 49 A A T 3 S+ 0 0 89 -4,-0.1 2,-0.6 -5,-0.1 -1,-0.3 0.130 102.3 97.4-122.6 18.1 29.6 42.7 4.8 48 50 A T < - 0 0 62 -3,-1.8 2,-0.8 -6,-0.1 3,-0.0 -0.941 57.1-152.7-122.2 120.6 26.0 43.2 3.9 49 51 A A - 0 0 70 -2,-0.6 3,-0.1 1,-0.2 -3,-0.1 -0.805 9.9-174.9 -91.3 114.4 23.2 43.6 6.3 50 52 A S - 0 0 88 -2,-0.8 2,-0.3 1,-0.1 -1,-0.2 0.581 62.2 -3.4 -79.5 -18.4 20.1 42.4 4.6 51 53 A C - 0 0 43 -3,-0.0 2,-0.4 352,-0.0 -1,-0.1 -0.996 64.8 -98.7-165.8 164.3 17.8 43.4 7.5 52 54 A E + 0 0 104 -2,-0.3 2,-0.3 -3,-0.1 348,-0.0 -0.787 44.4 175.0 -85.1 143.7 17.0 44.8 10.8 53 55 A S - 0 0 47 -2,-0.4 340,-0.0 1,-0.1 -2,-0.0 -0.993 32.6-170.4-154.7 149.7 16.4 42.3 13.6 54 56 A Q S S+ 0 0 154 -2,-0.3 14,-0.2 1,-0.0 3,-0.1 0.263 70.5 86.3-115.4 7.7 15.7 42.2 17.3 55 57 A I S S+ 0 0 2 1,-0.2 13,-2.8 12,-0.1 2,-0.4 0.989 91.9 8.9 -81.0 -59.2 16.1 38.5 17.9 56 58 A T E -C 67 0C 13 11,-0.2 2,-0.5 12,-0.1 -1,-0.2 -0.966 55.9-160.5-133.1 133.4 19.7 37.5 18.5 57 59 A Y E -C 66 0C 51 9,-1.9 9,-2.6 -2,-0.4 2,-0.4 -0.968 9.4-174.4-116.1 135.9 22.8 39.6 19.0 58 60 A I E +C 65 0C 23 -2,-0.5 2,-0.3 7,-0.2 7,-0.2 -0.994 16.0 172.7-125.4 130.3 26.3 38.3 18.5 59 61 A D E >> -C 64 0C 44 5,-1.8 5,-2.2 -2,-0.4 4,-0.6 -0.813 14.6-171.8-130.1 95.3 29.6 40.0 19.3 60 62 A G T >45S+ 0 0 12 -2,-0.3 3,-1.5 1,-0.2 249,-0.5 0.890 78.3 53.2 -53.0 -57.7 32.2 37.2 18.7 61 63 A G T 345S+ 0 0 43 1,-0.3 -1,-0.2 246,-0.1 248,-0.1 0.823 115.7 41.2 -49.0 -39.4 35.3 39.0 20.1 62 64 A K T 345S- 0 0 160 -3,-0.5 -1,-0.3 2,-0.1 -2,-0.2 0.468 110.8-117.4 -93.9 -1.0 33.6 39.7 23.4 63 65 A G T <<5 + 0 0 11 -3,-1.5 2,-0.5 -4,-0.6 -3,-0.2 0.858 58.9 154.7 69.6 36.7 31.9 36.4 23.8 64 66 A I E < +C 59 0C 49 -5,-2.2 -5,-1.8 7,-0.1 2,-0.4 -0.835 17.2 165.2-103.0 130.4 28.3 37.8 23.7 65 67 A L E -C 58 0C 4 -2,-0.5 7,-2.2 -7,-0.2 2,-0.4 -0.967 13.4-180.0-137.4 121.6 25.2 35.9 22.6 66 68 A L E -CD 57 71C 27 -9,-2.6 -9,-1.9 -2,-0.4 2,-0.5 -0.972 20.2-162.2-124.5 138.4 21.8 37.4 23.4 67 69 A H E > S-CD 56 70C 2 3,-2.8 3,-2.9 -2,-0.4 -11,-0.2 -0.983 91.1 -21.3-113.1 127.1 18.3 36.3 22.8 68 70 A R T 3 S- 0 0 54 -13,-2.8 -1,-0.2 -2,-0.5 -12,-0.1 0.899 130.7 -52.6 31.8 50.2 15.9 39.2 23.2 69 71 A G T 3 S+ 0 0 52 -14,-0.3 -1,-0.3 1,-0.2 -13,-0.1 0.234 112.1 122.6 81.7 -14.6 18.7 40.7 25.2 70 72 A Y E < -D 67 0C 82 -3,-2.9 -3,-2.8 1,-0.1 -1,-0.2 -0.708 66.4-118.6 -83.9 130.8 19.1 37.8 27.6 71 73 A P E >> -D 66 0C 38 0, 0.0 4,-2.2 0, 0.0 3,-0.6 -0.452 19.3-126.9 -72.7 140.3 22.7 36.3 27.7 72 74 A I H 3> S+ 0 0 1 -7,-2.2 4,-3.1 1,-0.3 5,-0.2 0.864 105.8 56.2 -60.9 -39.1 22.8 32.6 26.6 73 75 A D H 3> S+ 0 0 62 2,-0.2 4,-2.5 -8,-0.2 -1,-0.3 0.897 109.2 45.7 -57.7 -44.0 24.6 31.4 29.6 74 76 A Q H <> S+ 0 0 108 -3,-0.6 4,-1.3 2,-0.2 -1,-0.2 0.944 114.4 50.5 -66.4 -44.3 21.9 32.8 32.0 75 77 A L H X S+ 0 0 13 -4,-2.2 4,-2.1 1,-0.2 3,-0.4 0.924 114.4 42.6 -52.9 -52.7 19.2 31.3 29.7 76 78 A A H < S+ 0 0 1 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.874 115.8 46.5 -69.5 -42.8 20.8 27.9 29.6 77 79 A N H < S+ 0 0 84 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.704 127.9 27.1 -70.6 -16.2 21.6 27.6 33.4 78 80 A N H < S+ 0 0 131 -4,-1.3 2,-0.3 -3,-0.4 -2,-0.2 0.483 112.2 54.4-130.0 -9.6 18.1 28.9 34.3 79 81 A A < - 0 0 7 -4,-2.1 2,-0.2 -5,-0.2 -1,-0.1 -0.942 67.5-124.1-129.0 152.9 15.5 28.1 31.7 80 82 A D >> - 0 0 91 -2,-0.3 4,-1.8 1,-0.1 3,-0.9 -0.593 39.3-103.9 -82.4 157.7 14.2 25.1 29.9 81 83 A Y H 3> S+ 0 0 0 1,-0.3 4,-2.5 -2,-0.2 5,-0.2 0.870 119.5 55.9 -50.3 -49.1 14.2 25.1 26.1 82 84 A L H 3> S+ 0 0 12 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.889 106.0 52.7 -58.4 -28.6 10.5 25.7 25.7 83 85 A E H <> S+ 0 0 53 -3,-0.9 4,-2.3 2,-0.2 -1,-0.2 0.954 109.2 49.2 -69.9 -40.6 10.9 28.8 27.9 84 86 A V H X S+ 0 0 0 -4,-1.8 4,-2.7 1,-0.2 -2,-0.2 0.860 108.7 53.4 -62.4 -34.8 13.7 29.9 25.5 85 87 A C H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.906 105.4 54.3 -67.7 -38.1 11.4 29.2 22.6 86 88 A Y H X S+ 0 0 26 -4,-2.2 4,-3.3 -5,-0.2 5,-0.4 0.952 108.8 48.6 -59.7 -50.0 8.8 31.4 24.2 87 89 A I H X S+ 0 0 3 -4,-2.3 4,-3.0 1,-0.2 -2,-0.2 0.949 108.9 51.9 -53.6 -54.5 11.2 34.2 24.5 88 90 A L H < S+ 0 0 0 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.886 117.0 41.1 -53.1 -41.5 12.3 33.8 20.8 89 91 A L H < S+ 0 0 29 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.939 128.5 24.0 -71.9 -47.2 8.7 34.0 19.7 90 92 A Y H < S- 0 0 80 -4,-3.3 -3,-0.2 2,-0.2 -2,-0.2 0.643 95.0-122.6-104.8 -13.3 7.3 36.7 21.9 91 93 A G S < S+ 0 0 16 -4,-3.0 2,-0.3 -5,-0.4 -4,-0.2 0.382 80.7 69.7 93.3 -4.2 10.3 38.8 22.9 92 94 A E S S- 0 0 126 -6,-0.3 -2,-0.2 -5,-0.1 -1,-0.1 -0.991 88.1 -93.6-144.2 152.7 9.8 38.5 26.7 93 95 A A - 0 0 42 -2,-0.3 2,-0.2 1,-0.1 -9,-0.1 -0.360 50.3-120.2 -52.2 132.5 10.1 35.9 29.4 94 96 A P - 0 0 15 0, 0.0 -1,-0.1 0, 0.0 -7,-0.1 -0.567 16.1-119.0 -78.0 148.5 6.7 34.3 30.1 95 97 A T > - 0 0 77 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.303 39.5 -99.7 -64.6 165.9 4.9 34.5 33.4 96 98 A R H > S+ 0 0 212 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.863 126.0 48.4 -58.2 -37.9 4.2 31.0 35.0 97 99 A E H > S+ 0 0 161 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.904 111.0 48.0 -70.6 -40.4 0.7 31.1 33.7 98 100 A Q H > S+ 0 0 83 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.881 113.5 50.3 -65.9 -37.9 1.7 32.1 30.1 99 101 A Y H X S+ 0 0 32 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.892 108.8 50.1 -65.7 -42.5 4.3 29.3 30.3 100 102 A E H X S+ 0 0 98 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.917 113.1 46.9 -63.4 -40.1 1.8 26.7 31.4 101 103 A K H X S+ 0 0 157 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.877 110.7 52.7 -68.7 -34.5 -0.5 27.7 28.7 102 104 A F H X S+ 0 0 2 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.921 110.9 46.7 -68.4 -43.6 2.5 27.6 26.2 103 105 A K H X S+ 0 0 66 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.834 110.3 52.7 -62.5 -40.1 3.4 24.0 27.3 104 106 A T H X S+ 0 0 77 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.945 111.7 45.8 -65.3 -47.8 -0.1 22.8 27.1 105 107 A T H X S+ 0 0 23 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.919 110.7 52.5 -60.1 -44.8 -0.5 24.1 23.5 106 108 A V H >< S+ 0 0 2 -4,-2.2 3,-0.6 1,-0.2 4,-0.4 0.945 110.0 50.5 -59.8 -41.7 2.8 22.6 22.5 107 109 A T H >< S+ 0 0 47 -4,-2.2 3,-1.3 1,-0.2 4,-0.4 0.870 103.1 58.7 -63.2 -39.2 1.7 19.3 23.8 108 110 A R H 3< S+ 0 0 170 -4,-2.0 3,-0.3 1,-0.3 -1,-0.2 0.810 109.6 43.1 -62.3 -34.6 -1.6 19.4 22.0 109 111 A H T << S+ 0 0 29 -4,-1.4 -1,-0.3 -3,-0.6 -2,-0.2 0.361 84.6 99.9 -89.2 1.2 0.2 19.6 18.6 110 112 A T < + 0 0 12 -3,-1.3 -1,-0.2 -4,-0.4 -2,-0.1 0.877 63.8 82.4 -63.8 -37.8 2.9 17.1 19.3 111 113 A X S S- 0 0 117 -4,-0.4 2,-0.4 -3,-0.3 54,-0.1 -0.330 74.8-136.7 -63.7 147.8 1.1 14.2 17.4 112 114 A V - 0 0 13 57,-0.1 5,-0.1 54,-0.1 -2,-0.1 -0.889 27.4-101.6-107.0 134.9 1.5 14.0 13.7 113 115 A H > - 0 0 93 -2,-0.4 4,-1.5 1,-0.1 3,-0.4 -0.238 26.6-122.5 -50.4 140.7 -1.4 13.3 11.4 114 116 A E H > S+ 0 0 110 1,-0.2 4,-1.4 2,-0.2 5,-0.2 0.826 112.8 60.3 -56.5 -32.8 -1.6 9.7 10.2 115 117 A Q H > S+ 0 0 130 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.915 107.8 44.8 -67.3 -38.3 -1.5 11.0 6.6 116 118 A I H 4 S+ 0 0 5 -3,-0.4 4,-0.5 1,-0.2 -1,-0.2 0.770 108.1 58.1 -70.4 -25.3 1.8 12.6 7.3 117 119 A A H < S+ 0 0 6 -4,-1.5 3,-0.5 1,-0.2 4,-0.3 0.782 103.7 54.0 -74.1 -23.0 3.0 9.4 9.1 118 120 A S H >< S+ 0 0 69 -4,-1.4 3,-1.3 1,-0.2 -1,-0.2 0.770 89.6 75.1 -79.0 -24.2 2.3 7.5 5.8 119 121 A F G >< S+ 0 0 93 -4,-0.7 3,-1.7 1,-0.3 4,-0.3 0.774 80.7 71.8 -67.7 -25.8 4.4 9.8 3.8 120 122 A F G > S+ 0 0 0 -3,-0.5 3,-2.5 -4,-0.5 -1,-0.3 0.866 83.4 69.1 -53.7 -39.1 7.6 8.1 5.3 121 123 A H G < S+ 0 0 117 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.442 83.3 75.2 -66.7 8.5 6.9 5.0 3.3 122 124 A G G < S+ 0 0 70 -3,-1.7 -1,-0.3 2,-0.1 2,-0.2 0.732 90.7 66.7 -83.3 -24.8 7.8 7.1 0.2 123 125 A F S < S- 0 0 53 -3,-2.5 2,-0.2 -4,-0.3 9,-0.0 -0.598 90.0-112.3 -95.5 154.2 11.4 6.9 1.1 124 126 A R > - 0 0 179 -2,-0.2 3,-1.3 1,-0.1 -1,-0.1 -0.471 37.7-113.9 -68.8 153.4 13.8 3.9 1.2 125 127 A R T 3 S+ 0 0 109 1,-0.2 55,-0.1 -2,-0.2 -1,-0.1 0.866 113.6 53.9 -68.6 -23.8 14.7 3.1 4.8 126 128 A D T 3 S+ 0 0 113 2,-0.1 -1,-0.2 53,-0.1 52,-0.1 0.401 75.9 126.0 -88.9 1.2 18.4 4.1 4.2 127 129 A A S < S- 0 0 25 -3,-1.3 5,-0.1 1,-0.1 51,-0.1 -0.316 78.0 -92.4 -53.1 142.1 17.7 7.5 2.8 128 130 A H >> - 0 0 70 1,-0.1 4,-1.9 2,-0.1 3,-1.7 -0.381 32.9-126.6 -60.7 129.9 19.6 10.1 4.7 129 131 A P H 3> S+ 0 0 8 0, 0.0 4,-3.5 0, 0.0 5,-0.2 0.807 108.2 56.7 -49.7 -40.3 17.5 11.5 7.6 130 132 A X H 3> S+ 0 0 0 246,-0.3 4,-2.2 2,-0.2 129,-0.1 0.845 108.8 50.6 -61.1 -32.5 17.9 15.2 6.6 131 133 A A H <> S+ 0 0 23 -3,-1.7 4,-2.3 2,-0.2 5,-0.2 0.945 112.1 44.6 -67.2 -47.3 16.5 14.1 3.2 132 134 A V H X S+ 0 0 5 -4,-1.9 4,-3.3 1,-0.2 5,-0.3 0.946 111.3 54.9 -62.7 -45.0 13.6 12.4 4.8 133 135 A X H X S+ 0 0 1 -4,-3.5 4,-2.2 1,-0.2 -1,-0.2 0.888 107.4 50.3 -57.8 -40.0 13.2 15.4 7.1 134 136 A C H X S+ 0 0 27 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.939 112.5 45.5 -61.5 -51.5 13.0 17.8 4.0 135 137 A G H X S+ 0 0 21 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.948 113.6 50.1 -54.2 -52.2 10.3 15.7 2.3 136 138 A V H X S+ 0 0 0 -4,-3.3 4,-1.2 1,-0.3 -1,-0.2 0.867 110.9 47.4 -64.7 -33.5 8.4 15.4 5.5 137 139 A V H X S+ 0 0 0 -4,-2.2 4,-1.2 -5,-0.3 3,-0.3 0.914 109.6 55.1 -71.9 -36.2 8.5 19.1 6.2 138 140 A G H X S+ 0 0 33 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.781 103.0 57.6 -58.1 -31.5 7.5 19.7 2.5 139 141 A A H X S+ 0 0 11 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.847 99.5 56.5 -68.4 -37.9 4.5 17.4 3.2 140 142 A L H X S+ 0 0 2 -4,-1.2 4,-2.6 -3,-0.3 5,-0.3 0.909 104.7 53.9 -57.2 -38.8 3.4 19.7 6.0 141 143 A A H X S+ 0 0 14 -4,-1.2 4,-1.9 1,-0.2 -2,-0.2 0.942 108.8 47.8 -62.8 -45.5 3.4 22.4 3.4 142 144 A A H < S+ 0 0 81 -4,-1.8 4,-0.4 1,-0.2 -1,-0.2 0.931 112.8 50.6 -56.6 -47.2 1.1 20.4 1.2 143 145 A F H < S+ 0 0 84 -4,-2.6 3,-0.2 1,-0.2 4,-0.2 0.891 120.8 27.6 -66.2 -46.7 -1.2 19.7 4.2 144 146 A Y H >X S+ 0 0 24 -4,-2.6 4,-1.2 1,-0.2 3,-0.7 0.545 88.1 103.4 -95.2 -5.7 -1.8 23.2 5.5 145 147 A H G >< S+ 0 0 111 -4,-1.9 3,-0.6 -5,-0.3 -1,-0.2 0.845 83.9 46.2 -44.3 -48.5 -1.3 25.3 2.3 146 148 A D G 34 S+ 0 0 166 -4,-0.4 -1,-0.2 -3,-0.2 -2,-0.1 0.831 114.4 45.1 -66.0 -36.4 -5.1 25.9 1.8 147 149 A S G <4 S+ 0 0 68 -3,-0.7 2,-0.7 -4,-0.2 -1,-0.2 0.619 98.8 95.0 -77.4 -13.6 -5.9 26.8 5.5 148 150 A L << + 0 0 21 -4,-1.2 2,-0.8 -3,-0.6 -1,-0.1 -0.728 44.5 176.1-103.4 106.3 -2.9 29.1 5.6 149 151 A D > - 0 0 77 -2,-0.7 3,-1.5 1,-0.1 6,-0.3 -0.895 17.5-157.8-103.3 108.9 -3.0 32.8 5.0 150 152 A I T 3 S+ 0 0 29 -2,-0.8 -1,-0.1 1,-0.3 6,-0.1 0.617 88.4 61.3 -61.6 -12.7 0.5 34.1 5.6 151 153 A N T 3 S+ 0 0 113 1,-0.1 2,-1.0 4,-0.0 -1,-0.3 0.749 81.9 87.2 -86.1 -22.7 -0.9 37.7 6.2 152 154 A N X> - 0 0 53 -3,-1.5 3,-1.7 1,-0.2 4,-1.0 -0.703 69.8-156.7 -77.1 106.0 -3.0 36.6 9.1 153 155 A D H 3> S+ 0 0 111 -2,-1.0 4,-0.9 1,-0.3 -1,-0.2 0.698 92.0 61.3 -60.2 -22.4 -0.5 37.0 12.0 154 156 A L H 3> S+ 0 0 106 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.759 101.2 51.9 -72.7 -28.6 -2.6 34.4 14.0 155 157 A H H <> S+ 0 0 50 -3,-1.7 4,-1.7 -6,-0.3 -2,-0.2 0.733 108.3 53.5 -74.5 -22.9 -2.0 31.7 11.3 156 158 A R H X S+ 0 0 25 -4,-1.0 4,-1.6 2,-0.2 -2,-0.2 0.773 106.0 50.7 -82.4 -30.8 1.6 32.5 11.7 157 159 A E H X S+ 0 0 79 -4,-0.9 4,-1.4 2,-0.2 -2,-0.2 0.935 112.0 47.4 -71.1 -47.3 1.4 32.0 15.4 158 160 A I H X S+ 0 0 62 -4,-1.9 4,-2.5 1,-0.2 3,-0.2 0.893 109.0 55.8 -58.9 -41.5 -0.3 28.6 14.9 159 161 A T H X S+ 0 0 1 -4,-1.7 4,-2.2 1,-0.2 5,-0.3 0.927 104.3 52.5 -60.6 -43.1 2.3 27.6 12.3 160 162 A A H X S+ 0 0 1 -4,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.847 109.2 50.1 -61.4 -32.1 5.1 28.3 14.8 161 163 A Y H X S+ 0 0 23 -4,-1.4 4,-2.5 -3,-0.2 5,-0.2 0.891 107.5 54.9 -72.6 -38.2 3.4 26.0 17.3 162 164 A R H X S+ 0 0 40 -4,-2.5 4,-2.2 2,-0.2 5,-0.2 0.915 111.8 41.4 -61.7 -42.2 3.1 23.3 14.7 163 165 A L H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.920 115.6 51.4 -74.4 -36.2 6.8 23.3 13.8 164 166 A L H < S+ 0 0 5 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.853 116.5 38.6 -65.0 -37.9 7.7 23.5 17.4 165 167 A S H < S+ 0 0 1 -4,-2.5 4,-0.4 1,-0.1 -1,-0.2 0.841 122.7 38.4 -80.9 -39.3 5.5 20.6 18.5 166 168 A K H X S+ 0 0 12 -4,-2.2 4,-3.2 -5,-0.2 5,-0.3 0.683 91.8 81.8 -88.6 -22.7 6.0 18.3 15.5 167 169 A X H X S+ 0 0 1 -4,-1.8 4,-2.5 1,-0.3 -1,-0.2 0.892 97.7 43.7 -58.4 -44.4 9.7 18.7 14.6 168 170 A P H > S+ 0 0 3 0, 0.0 4,-2.7 0, 0.0 -1,-0.3 0.856 112.2 53.7 -68.3 -37.9 10.8 16.2 17.4 169 171 A T H > S+ 0 0 7 -4,-0.4 4,-2.7 2,-0.2 -2,-0.2 0.964 113.0 43.2 -57.7 -49.2 8.1 13.8 16.5 170 172 A L H X S+ 0 0 0 -4,-3.2 4,-2.6 2,-0.2 5,-0.2 0.900 111.9 54.2 -64.5 -43.4 9.2 13.8 12.8 171 173 A A H X S+ 0 0 0 -4,-2.5 4,-2.0 -5,-0.3 -1,-0.2 0.952 111.0 44.5 -52.0 -52.7 12.8 13.6 13.8 172 174 A A H X S+ 0 0 2 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.914 109.9 56.9 -67.2 -38.3 12.2 10.4 16.0 173 175 A X H X S+ 0 0 13 -4,-2.7 4,-3.7 -5,-0.2 -1,-0.2 0.928 104.6 51.3 -51.5 -45.8 10.1 9.0 13.2 174 176 A C H X S+ 0 0 3 -4,-2.6 4,-3.0 2,-0.2 -1,-0.2 0.909 111.0 49.6 -58.5 -41.9 13.1 9.3 10.7 175 177 A Y H X S+ 0 0 32 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.986 114.0 42.7 -62.0 -55.7 15.1 7.5 13.2 176 178 A K H X>S+ 0 0 1 -4,-2.9 5,-2.0 1,-0.2 4,-1.0 0.907 114.7 52.5 -53.5 -45.6 12.6 4.7 13.7 177 179 A Y H ><5S+ 0 0 14 -4,-3.7 3,-1.4 1,-0.2 -1,-0.2 0.964 109.1 47.7 -56.6 -54.5 11.9 4.5 9.9 178 180 A S H 3<5S+ 0 0 40 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.750 117.0 42.4 -65.2 -26.2 15.6 4.2 9.0 179 181 A T H 3<5S- 0 0 66 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.442 109.8-119.7 -97.4 0.9 16.2 1.4 11.6 180 182 A G T <<5 + 0 0 50 -3,-1.4 -3,-0.2 -4,-1.0 -4,-0.1 0.779 67.9 132.4 73.1 25.4 13.0 -0.4 10.9 181 183 A Q < - 0 0 58 -5,-2.0 -1,-0.2 -6,-0.2 -2,-0.1 -0.762 62.6 -93.7-102.7 157.0 11.5 -0.1 14.4 182 184 A P - 0 0 77 0, 0.0 -1,-0.1 0, 0.0 -5,-0.0 -0.368 44.0 -97.0 -72.1 150.1 7.9 1.0 15.0 183 185 A F - 0 0 55 1,-0.1 2,-0.5 -2,-0.1 17,-0.1 -0.208 32.7-138.1 -59.0 150.6 6.9 4.7 15.6 184 186 A I - 0 0 30 15,-0.3 -1,-0.1 -15,-0.1 -11,-0.1 -0.956 14.1-131.0-119.6 120.1 6.5 5.8 19.2 185 187 A Y - 0 0 131 -2,-0.5 -74,-0.1 1,-0.1 0, 0.0 -0.300 31.6 -98.3 -64.7 148.9 3.6 8.1 20.1 186 188 A P - 0 0 21 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.257 31.9-141.2 -55.7 149.5 4.3 11.3 22.2 187 189 A R > - 0 0 77 4,-0.1 3,-1.7 1,-0.1 8,-0.1 -0.978 3.6-154.4-122.4 121.3 3.5 11.0 26.0 188 190 A N T 3 S+ 0 0 120 -2,-0.5 -1,-0.1 1,-0.3 -81,-0.1 0.662 91.3 65.9 -59.9 -25.2 2.0 14.0 27.6 189 191 A D T 3 S+ 0 0 114 2,-0.0 2,-0.3 6,-0.0 -1,-0.3 0.509 93.2 85.2 -76.6 -1.0 3.4 13.2 31.1 190 192 A L S < S- 0 0 32 -3,-1.7 2,-0.1 1,-0.1 -3,-0.0 -0.718 80.1-118.7-102.2 152.2 6.9 13.8 29.6 191 193 A S > - 0 0 59 -2,-0.3 4,-4.0 1,-0.1 5,-0.3 -0.325 40.5 -96.4 -75.5 169.1 8.8 17.0 29.2 192 194 A Y H > S+ 0 0 29 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.893 124.2 36.2 -59.0 -48.9 9.8 18.2 25.7 193 195 A A H > S+ 0 0 2 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.868 118.2 52.7 -71.2 -42.8 13.4 16.7 25.8 194 196 A E H > S+ 0 0 55 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.963 109.5 49.9 -53.2 -51.5 12.2 13.7 27.7 195 197 A N H X S+ 0 0 13 -4,-4.0 4,-2.5 1,-0.2 -2,-0.2 0.871 106.9 53.8 -62.6 -37.7 9.6 13.1 25.2 196 198 A F H X S+ 0 0 0 -4,-1.8 4,-1.6 -5,-0.3 -1,-0.2 0.946 110.2 46.0 -56.4 -49.3 12.0 13.3 22.3 197 199 A L H X S+ 0 0 2 -4,-1.8 4,-3.1 1,-0.2 5,-0.3 0.850 112.2 52.3 -66.8 -35.5 14.4 10.7 23.7 198 200 A H H X S+ 0 0 16 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.931 110.3 46.3 -65.9 -49.6 11.5 8.4 24.5 199 201 A X H < S+ 0 0 2 -4,-2.5 -15,-0.3 1,-0.2 -2,-0.2 0.740 117.3 47.8 -62.4 -27.5 10.1 8.7 20.9 200 202 A X H < S+ 0 0 0 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.946 128.5 15.6 -76.6 -53.0 13.7 8.0 19.7 201 203 A F H < S+ 0 0 35 -4,-3.1 -3,-0.2 -5,-0.1 -2,-0.2 0.584 92.6 104.3-106.1 -17.6 14.7 5.0 21.9 202 204 A A < - 0 0 2 -4,-2.7 5,-0.1 -5,-0.3 -4,-0.0 -0.272 47.2-164.7 -66.6 157.7 11.6 3.4 23.5 203 205 A T > - 0 0 49 3,-0.5 3,-0.8 -22,-0.0 5,-0.1 -0.902 34.6-113.0-132.1 164.9 10.3 0.1 22.1 204 206 A P T 3 S+ 0 0 103 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 0.503 105.4 79.3 -72.6 -0.6 7.0 -1.8 22.6 205 207 A C T 3 S- 0 0 113 1,-0.1 2,-0.3 2,-0.0 -3,-0.0 0.620 105.6 -12.2 -88.6 -17.1 9.0 -4.5 24.5 206 208 A E S < S- 0 0 149 -3,-0.8 -3,-0.5 0, 0.0 2,-0.3 -0.975 83.0 -71.2-165.4 171.6 9.3 -2.7 27.8 207 209 A E - 0 0 138 -2,-0.3 2,-0.5 -5,-0.1 -2,-0.0 -0.560 46.2-147.2 -65.9 129.9 8.9 0.5 29.7 208 210 A Y - 0 0 76 -2,-0.3 2,-0.6 -5,-0.1 -6,-0.1 -0.913 9.0-160.2-102.1 130.1 11.6 2.9 28.6 209 211 A E - 0 0 145 -2,-0.5 2,-0.5 -11,-0.0 -2,-0.0 -0.960 12.3-138.6-115.2 120.4 12.8 5.2 31.3 210 212 A V - 0 0 25 -2,-0.6 -16,-0.1 1,-0.1 -15,-0.0 -0.654 20.6-125.5 -78.4 122.9 14.6 8.4 30.2 211 213 A N > - 0 0 44 -2,-0.5 4,-1.8 1,-0.1 3,-0.3 -0.549 15.3-139.7 -65.3 130.1 17.6 9.1 32.4 212 214 A P H > S+ 0 0 83 0, 0.0 4,-2.5 0, 0.0 -1,-0.1 0.793 99.6 58.0 -74.2 -25.2 17.1 12.7 33.7 213 215 A V H > S+ 0 0 17 2,-0.2 4,-2.0 1,-0.2 111,-0.1 0.888 110.9 44.0 -62.1 -38.2 20.8 13.6 33.3 214 216 A V H > S+ 0 0 16 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.852 112.1 51.6 -75.0 -33.9 20.5 12.8 29.6 215 217 A A H X S+ 0 0 9 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.932 109.8 50.7 -72.0 -41.4 17.1 14.6 29.3 216 218 A R H X S+ 0 0 115 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.926 111.1 49.2 -55.6 -48.1 18.8 17.6 30.9 217 219 A A H X S+ 0 0 1 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.916 109.3 50.3 -59.7 -47.1 21.6 17.4 28.4 218 220 A X H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.928 109.3 52.5 -61.8 -40.5 19.3 17.1 25.4 219 221 A D H X S+ 0 0 20 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.879 109.4 49.8 -57.7 -41.9 17.4 20.2 26.7 220 222 A K H X S+ 0 0 29 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.796 107.7 54.1 -70.0 -33.0 20.7 22.1 26.9 221 223 A I H X S+ 0 0 4 -4,-2.0 4,-0.7 2,-0.2 -2,-0.2 0.948 107.9 48.4 -68.5 -46.4 21.5 21.1 23.4 222 224 A F H >< S+ 0 0 0 -4,-2.3 3,-1.1 1,-0.2 -2,-0.2 0.947 114.4 48.6 -53.1 -53.1 18.2 22.4 22.0 223 225 A T H >< S+ 0 0 1 -4,-2.1 3,-1.5 1,-0.3 4,-0.3 0.894 107.0 52.4 -52.6 -51.4 18.8 25.6 23.8 224 226 A L H 3< S+ 0 0 4 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.570 117.7 39.2 -73.7 -3.0 22.4 26.2 22.8 225 227 A H T << S+ 0 0 12 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.199 81.9 108.0-123.3 12.5 21.4 25.8 19.1 226 228 A A S < S- 0 0 0 -3,-1.5 163,-0.9 1,-0.2 2,-0.3 0.888 88.6 -4.2 -60.3 -40.1 18.1 27.5 19.1 227 229 A D - 0 0 2 -4,-0.3 -1,-0.2 162,-0.1 3,-0.1 -0.990 43.0-179.2-160.3 149.4 19.3 30.6 17.2 228 230 A H - 0 0 30 1,-0.5 6,-0.1 -2,-0.3 -1,-0.1 -0.117 44.9-114.8-145.6 40.9 22.3 32.2 15.7 229 231 A E S S- 0 0 66 -172,-0.1 -1,-0.5 5,-0.0 2,-0.2 -0.279 79.8 -10.4 64.7-148.5 21.4 35.5 14.1 230 232 A Q S S+ 0 0 42 -174,-0.1 2,-0.3 4,-0.1 3,-0.1 -0.568 80.9 135.2 -85.4 148.3 21.9 35.5 10.2 231 233 A N > - 0 0 31 -2,-0.2 4,-3.9 1,-0.1 5,-0.4 -0.957 67.9 -65.9-178.7 171.1 23.7 32.6 8.6 232 234 A A H > S+ 0 0 56 -2,-0.3 4,-2.6 1,-0.2 5,-0.1 0.863 128.8 34.8 -42.4 -53.2 23.3 30.3 5.6 233 235 A S H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.959 119.4 47.4 -80.2 -45.0 20.2 28.5 6.7 234 236 A T H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.908 114.6 48.5 -58.1 -39.9 18.4 31.4 8.4 235 237 A S H X S+ 0 0 43 -4,-3.9 4,-3.7 2,-0.2 -2,-0.2 0.918 109.0 53.9 -67.7 -37.1 19.2 33.6 5.5 236 238 A T H X S+ 0 0 49 -4,-2.6 4,-2.6 -5,-0.4 5,-0.3 0.903 107.3 50.7 -58.2 -44.5 17.9 30.9 3.2 237 239 A V H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.913 115.4 42.7 -62.0 -43.8 14.6 30.8 5.1 238 240 A R H X S+ 0 0 19 -4,-2.1 4,-1.5 -5,-0.2 -2,-0.2 0.961 114.0 49.7 -66.5 -49.5 14.3 34.7 4.8 239 241 A L H >< S+ 0 0 92 -4,-3.7 3,-0.6 1,-0.2 167,-0.4 0.938 115.2 43.3 -58.6 -47.3 15.3 34.8 1.2 240 242 A A H ><>S+ 0 0 36 -4,-2.6 3,-0.9 1,-0.2 5,-0.7 0.867 114.4 52.1 -62.9 -40.7 12.8 32.0 0.2 241 243 A G H ><5S+ 0 0 2 -4,-2.1 3,-2.1 -5,-0.3 -1,-0.2 0.704 89.6 79.1 -68.2 -16.8 10.1 33.6 2.4 242 244 A S T <<5S+ 0 0 16 -4,-1.5 -1,-0.2 -3,-0.6 -2,-0.2 0.728 87.6 58.1 -70.2 -15.5 10.6 37.1 0.8 243 245 A S T < 5S- 0 0 79 -3,-0.9 -1,-0.3 -4,-0.3 -2,-0.1 0.388 126.1 -98.7 -86.0 2.6 8.5 36.0 -2.2 244 246 A G T < 5 + 0 0 42 -3,-2.1 -94,-0.2 1,-0.2 -3,-0.1 0.599 66.2 169.7 87.3 12.1 5.5 35.1 0.1 245 247 A A < - 0 0 28 -5,-0.7 -1,-0.2 1,-0.1 5,-0.1 -0.183 46.1 -86.5 -57.2 145.7 6.3 31.4 0.1 246 248 A N > - 0 0 17 1,-0.1 4,-2.2 3,-0.1 3,-0.4 -0.288 37.5-126.4 -50.4 131.8 4.6 29.0 2.5 247 249 A P H > S+ 0 0 1 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.857 108.6 53.8 -56.8 -38.1 6.4 29.0 5.9 248 250 A F H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.892 108.0 49.2 -66.9 -40.7 6.8 25.2 5.9 249 251 A A H > S+ 0 0 44 -3,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.869 110.0 52.9 -64.3 -35.9 8.4 25.3 2.5 250 252 A C H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.950 109.3 48.2 -60.8 -47.5 10.7 28.1 3.8 251 253 A I H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.926 109.2 53.8 -56.4 -45.0 11.7 25.8 6.8 252 254 A A H X S+ 0 0 17 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.921 107.1 51.5 -58.1 -42.0 12.3 23.0 4.3 253 255 A A H X S+ 0 0 30 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.905 107.9 52.1 -61.4 -39.6 14.7 25.3 2.4 254 256 A G H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.908 109.0 50.4 -61.4 -41.5 16.5 26.0 5.7 255 257 A I H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.905 107.9 52.3 -65.5 -41.9 16.9 22.3 6.3 256 258 A A H X S+ 0 0 52 -4,-2.4 4,-0.6 1,-0.2 -1,-0.2 0.939 112.4 46.8 -54.7 -47.8 18.3 21.8 2.8 257 259 A S H >< S+ 0 0 28 -4,-2.5 3,-1.4 1,-0.2 6,-0.3 0.927 110.6 50.9 -59.3 -47.3 20.8 24.6 3.6 258 260 A L H 3< S+ 0 0 0 -4,-2.8 6,-0.5 1,-0.3 -1,-0.2 0.800 100.0 65.2 -62.2 -32.1 21.7 23.1 7.0 259 261 A W H 3< S+ 0 0 105 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.728 75.0 107.4 -67.3 -22.2 22.4 19.8 5.5 260 262 A G S XX S- 0 0 26 -3,-1.4 4,-2.4 -4,-0.6 3,-2.1 -0.385 81.4-124.9 -58.8 134.0 25.2 21.2 3.5 261 263 A P H 3> S+ 0 0 116 0, 0.0 4,-1.7 0, 0.0 5,-0.2 0.848 108.0 59.2 -56.1 -37.9 28.4 19.8 5.1 262 264 A A H 34 S+ 0 0 114 1,-0.2 -4,-0.1 2,-0.2 -3,-0.1 0.676 116.5 33.1 -65.6 -16.3 29.9 23.4 5.6 263 265 A H H <4 S+ 0 0 43 -3,-2.1 -1,-0.2 -6,-0.3 -5,-0.1 0.811 133.0 21.4-102.9 -41.4 26.8 24.4 7.8 264 266 A G H < S+ 0 0 7 -4,-2.4 3,-0.2 -6,-0.5 4,-0.2 0.279 101.9 78.2-117.1 10.0 25.7 21.2 9.6 265 267 A G >X + 0 0 17 -4,-1.7 4,-3.1 -5,-0.3 3,-0.5 0.426 58.2 101.0-103.0 -3.5 28.8 18.8 9.7 266 268 A A H 3> S+ 0 0 43 1,-0.3 4,-2.0 2,-0.2 -1,-0.1 0.860 81.7 52.2 -57.7 -46.1 30.9 20.3 12.5 267 269 A N H 3> S+ 0 0 15 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.876 114.8 41.6 -47.7 -49.0 29.8 17.7 15.1 268 270 A E H <> S+ 0 0 80 -3,-0.5 4,-3.5 2,-0.2 5,-0.3 0.938 108.9 56.9 -72.5 -46.6 30.6 14.8 12.9 269 271 A A H X S+ 0 0 25 -4,-3.1 4,-2.0 1,-0.3 31,-0.2 0.884 108.1 52.1 -56.9 -36.3 33.9 16.3 11.6 270 272 A C H X S+ 0 0 0 -4,-2.0 4,-1.3 -5,-0.3 -1,-0.3 0.912 109.8 45.1 -66.6 -44.5 34.8 16.4 15.3 271 273 A L H >X S+ 0 0 9 -4,-1.7 4,-2.1 2,-0.2 3,-0.5 0.945 111.7 55.7 -59.9 -41.7 34.0 12.7 16.0 272 274 A K H 3X S+ 0 0 124 -4,-3.5 4,-1.5 1,-0.3 -2,-0.2 0.834 104.0 52.9 -59.3 -37.4 35.8 11.9 12.7 273 275 A X H 3X S+ 0 0 9 -4,-2.0 4,-1.3 -5,-0.3 -1,-0.3 0.847 108.1 51.6 -67.0 -32.2 38.9 13.6 14.0 274 276 A L H S- 0 0 33 -2,-2.5 3,-1.3 -3,-0.1 4,-0.3 -0.947 78.1-115.0-135.1 152.3 44.3 5.9 20.7 280 282 A V G > S+ 0 0 63 -2,-0.3 3,-1.7 1,-0.2 -1,-0.1 0.861 112.8 68.1 -44.8 -41.4 45.7 8.1 23.5 281 283 A D G 3 S+ 0 0 128 1,-0.3 4,-0.3 2,-0.1 -1,-0.2 0.819 97.6 51.2 -47.1 -39.9 49.2 6.9 22.2 282 284 A N G <> S+ 0 0 51 -3,-1.3 4,-2.1 -5,-0.3 5,-0.3 0.414 80.3 99.1 -91.5 -4.0 48.8 8.8 18.9 283 285 A I H <> S+ 0 0 3 -3,-1.7 4,-3.3 -4,-0.3 3,-0.5 0.954 82.0 45.3 -45.4 -68.4 47.9 12.2 20.4 284 286 A P H > S+ 0 0 76 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.845 113.6 50.1 -55.4 -36.5 51.3 14.0 20.3 285 287 A E H > S+ 0 0 109 -4,-0.3 4,-1.3 2,-0.2 -2,-0.2 0.909 115.8 41.6 -66.6 -43.1 52.0 12.8 16.7 286 288 A Y H X S+ 0 0 42 -4,-2.1 4,-1.3 -3,-0.5 -1,-0.2 0.830 108.7 61.1 -73.2 -35.5 48.6 14.0 15.4 287 289 A V H >X S+ 0 0 14 -4,-3.3 4,-1.8 -5,-0.3 3,-1.1 0.976 107.5 45.7 -47.4 -57.5 49.0 17.1 17.5 288 290 A D H 3X S+ 0 0 96 -4,-2.5 4,-2.1 1,-0.3 -2,-0.2 0.755 106.4 57.6 -61.5 -31.3 52.1 17.9 15.4 289 291 A R H 3< S+ 0 0 93 -4,-1.3 -1,-0.3 2,-0.2 -2,-0.2 0.697 105.9 51.9 -70.1 -22.7 50.3 17.0 12.1 290 292 A A H << S+ 0 0 23 -4,-1.3 -2,-0.2 -3,-1.1 5,-0.2 0.952 109.1 49.8 -72.3 -54.2 47.7 19.7 13.0 291 293 A K H < S+ 0 0 76 -4,-1.8 2,-0.6 -5,-0.1 -2,-0.2 0.825 86.2 94.7 -49.4 -45.4 50.6 22.2 13.6 292 294 A D >< - 0 0 80 -4,-2.1 3,-2.1 1,-0.2 5,-0.0 -0.436 67.9-157.1 -55.1 106.6 52.2 21.4 10.2 293 295 A K T 3 S+ 0 0 207 -2,-0.6 -1,-0.2 1,-0.3 -2,-0.0 0.789 93.3 51.1 -59.5 -31.2 50.6 24.2 8.2 294 296 A D T 3 S+ 0 0 156 1,-0.1 -1,-0.3 -3,-0.0 -2,-0.1 0.322 90.7 94.2 -89.0 4.6 51.2 22.1 5.1 295 297 A D S < S- 0 0 35 -3,-2.1 -1,-0.1 -5,-0.2 -3,-0.0 -0.896 71.7-144.1-108.8 110.0 49.5 19.0 6.6 296 298 A P S S+ 0 0 121 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.623 75.6 99.5 -44.8 -29.7 45.7 18.7 5.8 297 299 A F + 0 0 22 -8,-0.2 2,-0.3 -5,-0.0 -2,-0.2 -0.521 48.4 163.1 -66.0 118.0 45.1 17.4 9.2 298 300 A R - 0 0 143 -2,-0.4 2,-0.7 -7,-0.0 -8,-0.1 -0.883 46.0 -96.6-125.8 159.4 43.8 20.1 11.6 299 301 A L > - 0 0 24 -2,-0.3 3,-0.7 -12,-0.1 2,-0.4 -0.735 36.0-151.0 -78.5 114.7 42.0 19.7 14.9 300 302 A X T 3 S+ 0 0 60 -2,-0.7 3,-0.1 -31,-0.2 -27,-0.0 -0.786 77.3 29.3 -87.0 132.2 38.2 19.8 14.4 301 303 A G T 3 S+ 0 0 10 -2,-0.4 58,-2.9 1,-0.3 2,-0.4 0.551 90.9 109.5 96.3 13.5 36.4 21.2 17.5 302 304 A F B < S-E 358 0D 14 -3,-0.7 -1,-0.3 56,-0.2 54,-0.1 -0.944 76.2 -10.0-121.0 144.4 39.0 23.5 19.0 303 305 A G S S- 0 0 7 54,-3.3 2,-0.3 -2,-0.4 56,-0.2 0.129 76.8-109.9 53.4-178.3 38.7 27.3 18.9 304 306 A H - 0 0 50 51,-0.3 -1,-0.1 4,-0.2 53,-0.0 -0.999 4.6-136.6-149.0 141.6 36.1 29.1 16.9 305 307 A R S S+ 0 0 215 -2,-0.3 3,-0.2 1,-0.1 -1,-0.1 0.889 110.3 21.2 -59.8 -37.8 35.9 31.3 13.8 306 308 A V S S+ 0 0 65 1,-0.2 2,-2.0 -3,-0.1 -243,-0.2 0.888 119.9 54.6-103.8 -51.9 33.6 33.7 15.6 307 309 A Y S S+ 0 0 0 1,-0.2 -1,-0.2 2,-0.1 -246,-0.1 -0.549 70.3 173.4 -87.1 76.3 34.0 33.2 19.3 308 310 A K S S+ 0 0 134 -2,-2.0 -4,-0.2 -3,-0.2 -1,-0.2 0.751 71.1 18.2 -58.4 -32.6 37.7 33.9 19.1 309 311 A N S S- 0 0 83 1,-0.5 2,-0.3 -249,-0.5 -1,-0.2 0.767 133.4 -4.9-108.3 -33.0 38.4 33.9 22.8 310 312 A Y - 0 0 119 -250,-0.3 -1,-0.5 47,-0.0 3,-0.0 -0.945 50.7-151.8-171.6 128.1 35.6 32.2 24.6 311 313 A D >> - 0 0 1 -2,-0.3 4,-1.1 -3,-0.1 3,-0.5 -0.989 12.5-152.6-110.9 125.5 32.2 30.9 23.5 312 314 A P H 3> S+ 0 0 8 0, 0.0 4,-1.0 0, 0.0 5,-0.1 0.747 96.2 60.6 -77.1 -14.6 29.9 31.1 26.4 313 315 A R H 3> S+ 0 0 15 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.799 97.3 61.2 -72.0 -27.3 27.9 28.2 25.0 314 316 A A H <> S+ 0 0 7 -3,-0.5 4,-2.9 2,-0.2 5,-0.2 0.906 97.7 56.4 -69.1 -37.6 31.1 26.1 25.4 315 317 A T H X S+ 0 0 66 -4,-1.1 4,-1.3 1,-0.2 -1,-0.2 0.920 112.4 41.1 -60.7 -44.7 31.3 26.6 29.1 316 318 A V H X S+ 0 0 6 -4,-1.0 4,-2.4 2,-0.2 -1,-0.2 0.922 114.6 50.6 -66.5 -46.6 27.8 25.1 29.6 317 319 A X H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 -2,-0.2 0.875 107.1 56.5 -63.4 -34.3 28.2 22.4 27.1 318 320 A R H X S+ 0 0 103 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.916 109.5 44.8 -60.3 -43.6 31.5 21.4 28.9 319 321 A E H X S+ 0 0 112 -4,-1.3 4,-1.6 2,-0.2 -2,-0.2 0.891 113.8 49.1 -73.0 -35.6 29.6 21.0 32.1 320 322 A T H X S+ 0 0 7 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.930 108.1 55.0 -67.9 -43.7 26.8 19.0 30.6 321 323 A C H X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.946 108.2 47.8 -56.5 -49.8 29.2 16.8 28.8 322 324 A H H X S+ 0 0 36 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.835 109.9 52.3 -60.9 -33.2 31.0 15.8 32.1 323 325 A E H X S+ 0 0 64 -4,-1.6 4,-2.9 2,-0.2 -1,-0.2 0.971 110.4 49.0 -65.4 -50.4 27.8 15.1 33.9 324 326 A V H X S+ 0 0 1 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.903 112.4 46.4 -56.6 -48.5 26.7 12.8 31.0 325 327 A L H X>S+ 0 0 25 -4,-2.3 4,-1.2 2,-0.2 5,-0.6 0.841 112.9 49.5 -65.1 -38.6 29.9 10.8 30.9 326 328 A K H <5S+ 0 0 159 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.901 115.0 46.1 -64.2 -42.2 30.0 10.4 34.8 327 329 A E H <5S+ 0 0 96 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.929 119.8 35.8 -68.5 -48.6 26.5 9.2 34.7 328 330 A L H <5S- 0 0 61 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.619 89.5-155.1 -81.5 -13.7 26.7 6.8 31.8 329 331 A N T <5 - 0 0 119 -4,-1.2 2,-0.2 -5,-0.3 -3,-0.1 0.863 21.9-175.2 41.9 54.3 30.2 5.8 32.8 330 332 A I < - 0 0 60 -5,-0.6 2,-0.5 2,-0.0 -1,-0.1 -0.519 20.2-150.7 -81.4 148.4 31.2 4.6 29.3 331 333 A Q + 0 0 152 -2,-0.2 3,-0.1 4,-0.0 -1,-0.0 -0.984 36.5 141.5-118.7 114.8 34.5 3.0 28.5 332 334 A D > - 0 0 38 -2,-0.5 4,-1.6 1,-0.1 3,-0.1 -0.962 53.7-131.1-155.0 135.2 35.6 3.7 25.0 333 335 A P H > S+ 0 0 82 0, 0.0 4,-2.1 0, 0.0 -53,-0.1 0.859 109.5 55.6 -53.7 -40.7 39.1 4.5 23.5 334 336 A L H > S+ 0 0 29 1,-0.2 4,-3.0 2,-0.2 5,-0.1 0.864 104.4 53.5 -67.5 -35.2 37.7 7.5 21.6 335 337 A L H > S+ 0 0 17 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.917 108.0 49.9 -58.5 -46.8 36.4 9.0 24.9 336 338 A D H X S+ 0 0 78 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.921 111.5 48.5 -61.0 -45.1 39.8 8.7 26.5 337 339 A V H >X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 3,-0.7 0.962 112.4 49.0 -53.1 -58.2 41.3 10.4 23.4 338 340 A A H 3X S+ 0 0 2 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.920 111.7 48.8 -50.2 -50.2 38.7 13.2 23.6 339 341 A X H 3X S+ 0 0 53 -4,-3.1 4,-1.6 1,-0.2 -1,-0.2 0.743 111.1 49.9 -65.7 -24.6 39.3 13.6 27.4 340 342 A E H < S+ 0 0 22 -4,-2.1 3,-1.8 1,-0.2 4,-0.5 0.940 106.8 52.9 -71.6 -50.8 46.0 19.4 26.9 345 347 A A H 3< S+ 0 0 3 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.858 111.6 50.2 -50.0 -35.2 44.0 22.3 25.4 346 348 A L T 3< S+ 0 0 94 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.447 126.5 20.3 -90.8 -5.0 43.5 23.6 28.9 347 349 A S S < S+ 0 0 69 -3,-1.8 5,-0.2 -4,-0.3 -3,-0.2 0.554 93.2 92.9-121.2 -77.1 47.2 23.4 29.9 348 350 A D >> - 0 0 54 -4,-0.5 4,-2.1 -5,-0.2 3,-0.5 0.144 68.6-138.5 -22.5 119.5 49.6 23.4 27.0 349 351 A E H 3> S+ 0 0 158 1,-0.2 4,-4.9 2,-0.2 5,-0.3 0.897 98.1 61.0 -56.9 -47.8 50.6 27.0 26.3 350 352 A Y H 3> S+ 0 0 65 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.816 110.8 42.1 -56.0 -37.2 50.5 26.7 22.5 351 353 A F H <4>S+ 0 0 2 -3,-0.5 5,-2.6 -7,-0.2 4,-0.3 0.879 118.3 44.0 -68.6 -48.6 46.7 25.8 22.8 352 354 A V H <5S+ 0 0 77 -4,-2.1 3,-0.4 -5,-0.2 -2,-0.2 0.901 119.7 44.9 -65.3 -37.5 46.0 28.4 25.5 353 355 A S H <5S+ 0 0 87 -4,-4.9 -2,-0.2 1,-0.2 -3,-0.2 0.921 114.0 45.9 -74.3 -45.2 48.1 30.9 23.4 354 356 A K T <5S- 0 0 125 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.401 113.2-120.7 -80.5 5.8 46.6 30.1 20.0 355 357 A K T 5 + 0 0 93 -3,-0.4 2,-1.6 -4,-0.3 -51,-0.3 0.765 56.5 157.2 70.1 29.1 43.2 30.3 21.7 356 358 A L < + 0 0 41 -5,-2.6 -1,-0.2 -6,-0.2 -2,-0.1 -0.516 12.5 165.0 -94.0 71.6 42.4 26.7 20.8 357 359 A Y - 0 0 32 -2,-1.6 -54,-3.3 -55,-0.1 2,-0.3 -0.556 49.2 -95.8 -84.8 149.7 39.8 25.8 23.4 358 360 A P B -E 302 0D 6 0, 0.0 -56,-0.2 0, 0.0 -40,-0.1 -0.533 55.9-147.2 -62.4 121.0 37.4 22.7 23.1 359 361 A N > - 0 0 8 -58,-2.9 4,-1.9 -2,-0.3 5,-0.2 -0.188 26.1 -90.6 -97.9-178.2 34.3 24.2 21.6 360 362 A V H > S+ 0 0 2 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.832 125.1 52.5 -58.9 -33.4 30.6 23.7 21.7 361 363 A D H > S+ 0 0 36 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.900 104.9 54.9 -70.0 -46.2 30.8 21.2 18.7 362 364 A F H > S+ 0 0 0 -61,-0.3 4,-1.7 1,-0.2 -2,-0.2 0.959 114.9 39.2 -42.7 -59.7 33.5 19.1 20.4 363 365 A Y H X S+ 0 0 3 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.820 113.8 51.7 -71.5 -33.2 31.3 18.6 23.5 364 366 A S H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.853 107.7 53.5 -77.2 -29.5 27.9 18.2 21.7 365 367 A G H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.951 110.4 47.7 -61.7 -46.2 29.4 15.5 19.5 366 368 A I H X S+ 0 0 4 -4,-1.7 4,-2.9 -5,-0.2 5,-0.2 0.960 113.2 47.4 -62.2 -51.9 30.6 13.6 22.6 367 369 A I H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 6,-0.2 0.954 113.5 48.7 -54.1 -52.1 27.2 14.0 24.3 368 370 A L H <>S+ 0 0 3 -4,-2.8 5,-2.1 1,-0.2 4,-0.3 0.916 114.7 43.3 -57.7 -44.5 25.3 12.8 21.2 369 371 A K H ><5S+ 0 0 69 -4,-2.6 3,-1.4 1,-0.2 -1,-0.2 0.920 111.7 55.1 -67.6 -42.1 27.5 9.8 20.6 370 372 A A H 3<5S+ 0 0 13 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.773 105.5 52.5 -63.2 -28.0 27.5 8.9 24.3 371 373 A I T 3<5S- 0 0 21 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.484 122.9-101.4 -92.5 4.2 23.7 8.8 24.4 372 374 A G T < 5S+ 0 0 43 -3,-1.4 -3,-0.2 -4,-0.3 -2,-0.1 0.581 70.6 146.0 96.5 11.7 23.4 6.5 21.5 373 375 A I < - 0 0 4 -5,-2.1 -1,-0.3 -6,-0.2 -2,-0.1 -0.724 46.2-128.7 -81.2 119.3 22.5 8.9 18.7 374 376 A P > - 0 0 42 0, 0.0 3,-2.4 0, 0.0 4,-0.2 -0.346 17.2-114.1 -70.3 147.2 23.9 7.8 15.4 375 377 A V G > S+ 0 0 56 1,-0.3 3,-2.3 2,-0.2 4,-0.4 0.837 112.4 66.8 -40.2 -47.2 26.0 10.2 13.3 376 378 A S G 3 S+ 0 0 50 1,-0.3 -246,-0.3 2,-0.1 -1,-0.3 0.650 103.0 49.5 -57.0 -12.7 23.3 10.2 10.5 377 379 A X G <> S+ 0 0 0 -3,-2.4 4,-1.8 2,-0.1 -1,-0.3 0.437 82.0 94.4-106.6 -1.4 21.0 12.0 13.0 378 380 A F H <> S+ 0 0 4 -3,-2.3 4,-1.9 1,-0.2 3,-0.2 0.934 90.1 41.4 -61.7 -47.0 23.4 14.8 14.2 379 381 A T H > S+ 0 0 13 -4,-0.4 4,-3.7 1,-0.2 -1,-0.2 0.873 108.6 60.3 -70.4 -34.0 22.2 17.4 11.7 380 382 A V H > S+ 0 0 0 -4,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.912 107.0 48.0 -59.3 -36.5 18.6 16.5 12.2 381 383 A I H X S+ 0 0 2 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.906 108.4 51.8 -70.5 -40.8 19.0 17.3 15.8 382 384 A F H X S+ 0 0 37 -4,-1.9 4,-2.4 2,-0.2 3,-0.3 0.973 110.6 51.9 -53.4 -49.5 20.6 20.6 15.0 383 385 A A H X S+ 0 0 1 -4,-3.7 4,-1.7 1,-0.2 -2,-0.2 0.897 105.1 53.5 -58.4 -43.4 17.5 21.1 12.7 384 386 A I H < S+ 0 0 2 -4,-2.5 4,-0.4 1,-0.2 -1,-0.2 0.900 113.6 43.7 -54.9 -44.9 15.1 20.4 15.5 385 387 A S H >< S+ 0 0 0 -4,-2.1 3,-0.8 -3,-0.3 4,-0.5 0.925 115.5 46.0 -65.1 -46.8 16.8 23.0 17.7 386 388 A R H 3X S+ 0 0 5 -4,-2.4 4,-2.7 1,-0.3 3,-0.3 0.663 88.8 84.6 -80.4 -17.8 17.1 25.7 15.1 387 389 A T H 3X S+ 0 0 2 -4,-1.7 4,-2.4 -5,-0.3 -1,-0.3 0.877 87.4 55.2 -54.4 -36.7 13.7 25.4 13.7 388 390 A I H <> S+ 0 0 3 -3,-0.8 4,-2.1 -4,-0.4 -1,-0.3 0.917 108.5 48.1 -67.7 -38.9 12.4 27.8 16.4 389 391 A G H > S+ 0 0 0 -163,-0.9 4,-2.2 -4,-0.5 5,-0.2 0.911 109.7 53.6 -64.2 -40.9 14.9 30.4 15.3 390 392 A W H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.926 110.4 46.2 -55.2 -45.0 14.0 29.9 11.7 391 393 A I H X S+ 0 0 1 -4,-2.4 4,-2.8 -5,-0.2 -1,-0.2 0.905 110.0 52.1 -73.5 -37.7 10.4 30.5 12.4 392 394 A A H X S+ 0 0 3 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.876 112.4 47.2 -62.6 -39.1 10.9 33.6 14.6 393 395 A H H X S+ 0 0 0 -4,-2.2 4,-3.1 2,-0.2 -2,-0.2 0.918 111.3 51.4 -65.9 -42.6 13.1 35.1 11.8 394 396 A W H X S+ 0 0 1 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.921 112.4 45.9 -57.1 -48.2 10.5 34.3 9.3 395 397 A N H X S+ 0 0 25 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.913 112.0 49.7 -60.9 -48.4 7.8 35.9 11.4 396 398 A E H X S+ 0 0 25 -4,-2.4 4,-0.8 2,-0.2 3,-0.3 0.942 110.9 51.7 -60.1 -41.4 9.8 39.0 12.1 397 399 A X H >< S+ 0 0 8 -4,-3.1 3,-1.6 1,-0.3 -2,-0.2 0.958 109.0 50.4 -61.3 -48.0 10.5 39.2 8.4 398 400 A H H 3< S+ 0 0 29 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.811 109.5 49.5 -60.3 -29.7 6.9 39.0 7.6 399 401 A S H 3< S+ 0 0 80 -4,-1.9 -1,-0.3 -3,-0.3 -2,-0.2 0.554 87.9 114.5 -88.2 -2.5 5.9 41.7 10.0 400 402 A D X< - 0 0 31 -3,-1.6 3,-0.6 -4,-0.8 -3,-0.0 -0.412 58.2-152.8 -70.3 133.7 8.6 44.1 8.6 401 403 A P T 3 S+ 0 0 120 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.871 101.7 55.3 -67.3 -35.9 7.5 47.3 6.9 402 404 A L T 3 S+ 0 0 88 2,-0.0 2,-0.2 -350,-0.0 -2,-0.1 0.397 82.0 124.8 -77.8 1.1 10.8 47.1 4.9 403 405 A N < + 0 0 61 -3,-0.6 2,-0.3 -6,-0.2 -352,-0.0 -0.453 27.4 141.0 -68.8 134.4 10.0 43.5 3.7 404 406 A R - 0 0 194 -2,-0.2 2,-0.1 0, 0.0 -161,-0.1 -0.945 56.1 -68.9-164.9 165.0 10.1 43.0 -0.0 405 407 A I - 0 0 112 -2,-0.3 2,-0.2 1,-0.1 -162,-0.1 -0.363 52.6-116.1 -70.8 138.5 11.2 40.3 -2.5 406 408 A G + 0 0 36 -167,-0.4 -1,-0.1 -2,-0.1 -163,-0.0 -0.541 37.5 166.0 -77.7 138.6 15.0 39.7 -2.8 407 409 A R - 0 0 162 -2,-0.2 -1,-0.1 0, 0.0 -2,-0.0 -0.537 14.9-172.7-149.9 77.6 16.7 40.4 -6.1 408 410 A P - 0 0 68 0, 0.0 2,-0.1 0, 0.0 0, 0.0 -0.153 19.7-125.5 -58.6 165.0 20.6 40.5 -5.5 409 411 A R - 0 0 138 -369,-0.1 2,-0.3 2,-0.0 -370,-0.0 -0.409 14.9-144.4-106.4-175.3 22.7 41.6 -8.4 410 412 A Q - 0 0 136 -2,-0.1 2,-0.5 -369,-0.0 -371,-0.0 -0.927 18.1-123.2-139.1 164.7 25.6 40.2 -10.2 411 413 A L - 0 0 120 -2,-0.3 2,-0.5 2,-0.0 -370,-0.0 -0.989 37.0-134.1-102.6 120.6 28.8 41.4 -11.9 412 414 A Y + 0 0 143 -2,-0.5 -2,-0.0 1,-0.1 0, 0.0 -0.664 36.9 162.1 -81.7 124.4 28.6 40.2 -15.5 413 415 A T + 0 0 127 -2,-0.5 -1,-0.1 3,-0.0 3,-0.1 0.166 43.1 102.1-123.1 16.5 31.8 38.5 -16.8 414 416 A G S S- 0 0 43 1,-0.2 -2,-0.0 0, 0.0 0, 0.0 0.009 78.5 -44.7 -94.5-164.7 30.5 36.7 -19.7 415 417 A E - 0 0 116 1,-0.1 -1,-0.2 3,-0.0 3,-0.1 -0.228 54.3-121.5 -59.7 140.4 30.4 37.0 -23.4 416 418 A V - 0 0 120 1,-0.2 -1,-0.1 -3,-0.1 -3,-0.0 -0.404 56.8 -62.9 -69.9 165.7 29.5 40.4 -25.0 417 419 A Q + 0 0 184 -2,-0.1 2,-0.4 1,-0.0 -1,-0.2 -0.234 65.8 173.7 -51.6 127.3 26.4 40.4 -27.3 418 420 A R - 0 0 185 -3,-0.1 2,-0.1 0, 0.0 -3,-0.0 -0.995 34.0-103.4-135.2 148.4 27.0 38.1 -30.3 419 421 A D - 0 0 150 -2,-0.4 2,-0.5 1,-0.1 0, 0.0 -0.397 28.9-137.1 -62.4 139.3 24.7 37.1 -33.1 420 422 A F - 0 0 168 -2,-0.1 -1,-0.1 0, 0.0 0, 0.0 -0.857 15.8-161.1 -96.7 132.7 23.2 33.6 -33.0 421 423 A Q - 0 0 107 -2,-0.5 5,-0.1 2,-0.0 -2,-0.0 -0.969 26.5-106.2-116.4 133.3 23.2 31.8 -36.3 422 424 A P >> - 0 0 46 0, 0.0 3,-0.9 0, 0.0 4,-0.5 -0.096 29.7-112.6 -54.6 151.1 20.8 28.7 -36.8 423 425 A X G >4 S+ 0 0 154 1,-0.3 3,-1.1 2,-0.2 -2,-0.0 0.824 114.6 58.4 -59.2 -36.7 22.4 25.3 -36.8 424 426 A H G 34 S+ 0 0 161 1,-0.3 -1,-0.3 0, 0.0 -3,-0.0 0.875 104.5 53.0 -66.2 -29.1 21.6 24.6 -40.5 425 427 A E G <4 0 0 117 -3,-0.9 -1,-0.3 1,-0.1 -2,-0.2 0.549 360.0 360.0 -80.7 -9.8 23.7 27.7 -41.4 426 428 A R << 0 0 162 -3,-1.1 -1,-0.1 -4,-0.5 -3,-0.0 -0.558 360.0 360.0 -77.4 360.0 26.8 26.7 -39.5