==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 05-JAN-05 1YGJ . COMPND 2 MOLECULE: PYRIDOXAL KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: OVIS ARIES; . AUTHOR L.TANG,M.-H.LI,P.CAO,F.WANG,W.-R.CHANG,S.BACH,J.REINHARDT, . 309 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14678.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 217 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 32 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 96 31.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 1 0 1 1 0 0 1 0 1 2 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 2 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 4 A E 0 0 202 0, 0.0 2,-0.4 0, 0.0 29,-0.1 0.000 360.0 360.0 360.0 123.9 -43.3 62.5 22.2 2 5 A C - 0 0 29 27,-0.3 29,-2.9 2,-0.0 2,-0.6 -0.987 360.0-160.1-134.2 121.5 -39.5 62.0 22.0 3 6 A R E -a 31 0A 65 -2,-0.4 72,-2.1 27,-0.2 73,-1.7 -0.901 6.0-165.2-106.8 116.1 -37.9 58.8 23.3 4 7 A V E -ab 32 76A 0 27,-2.8 29,-3.3 -2,-0.6 2,-0.8 -0.828 13.3-149.3-104.4 138.5 -34.2 58.8 24.1 5 8 A L E -ab 33 77A 3 71,-2.3 73,-2.2 -2,-0.4 2,-0.8 -0.868 19.9-169.4-104.0 99.0 -32.1 55.6 24.6 6 9 A S E -ab 34 78A 0 27,-3.2 29,-2.2 -2,-0.8 2,-1.0 -0.794 9.1-175.7 -98.2 104.9 -29.4 56.7 27.1 7 10 A I E +ab 35 79A 3 71,-1.8 73,-1.0 -2,-0.8 2,-0.3 -0.773 38.2 116.1 -99.9 88.0 -26.6 54.1 27.5 8 11 A Q E -a 36 0A 5 27,-1.5 29,-1.3 -2,-1.0 30,-0.4 -0.903 65.0 -69.9-144.8 174.2 -24.4 55.5 30.3 9 12 A S E - 0 0 12 72,-0.3 9,-3.6 -2,-0.3 10,-0.7 -0.222 37.9-152.1 -70.2 156.2 -23.2 54.7 33.8 10 13 A H E -a 39 0A 38 28,-1.8 30,-1.7 8,-0.2 2,-0.3 -0.907 7.8-167.3-125.8 153.7 -25.3 54.9 37.0 11 14 A V E -a 40 0A 5 -2,-0.3 30,-0.2 3,-0.2 5,-0.1 -0.996 27.0-135.7-145.9 138.4 -24.3 55.6 40.6 12 15 A V S S+ 0 0 97 28,-1.9 2,-0.4 -2,-0.3 30,-0.2 0.927 98.7 27.4 -55.9 -47.2 -26.1 55.2 43.9 13 16 A R S S+ 0 0 148 28,-1.8 30,-0.3 27,-0.3 -1,-0.2 -0.956 109.7 19.4-120.7 137.6 -24.9 58.6 45.0 14 17 A G S S- 0 0 4 -2,-0.4 2,-0.6 28,-0.1 -3,-0.2 -0.274 79.6 -81.8 101.8 170.3 -24.0 61.5 42.8 15 18 A Y + 0 0 41 213,-0.2 273,-0.3 -2,-0.1 2,-0.3 -0.933 64.2 129.0-123.3 108.6 -24.7 62.7 39.4 16 19 A V >> - 0 0 14 -2,-0.6 3,-2.2 -7,-0.1 4,-1.0 -0.953 67.7 -15.7-150.7 158.0 -22.6 61.2 36.7 17 20 A G H 3> S+ 0 0 0 -2,-0.3 4,-0.9 1,-0.3 -7,-0.2 -0.155 137.6 2.4 45.9-113.4 -23.2 59.5 33.3 18 21 A N H 3> S+ 0 0 1 -9,-3.6 4,-2.6 2,-0.2 -1,-0.3 0.766 132.4 57.5 -74.1 -29.4 -26.9 58.6 33.4 19 22 A R H <4 S+ 0 0 79 -3,-2.2 4,-0.5 -10,-0.7 -1,-0.2 0.837 110.2 47.8 -68.3 -29.9 -27.7 60.1 36.8 20 23 A A H < S+ 0 0 0 -4,-1.0 -2,-0.2 1,-0.1 -1,-0.2 0.740 119.8 36.7 -80.8 -25.1 -26.4 63.3 35.2 21 24 A A H X S+ 0 0 0 -4,-0.9 4,-2.0 -5,-0.2 5,-0.2 0.807 105.4 63.4 -97.6 -36.2 -28.5 63.0 32.0 22 25 A T H X S+ 0 0 30 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.961 99.7 44.9 -57.8 -67.8 -31.8 61.5 33.1 23 26 A F H > S+ 0 0 54 -4,-0.5 4,-2.9 -5,-0.2 5,-0.3 0.892 114.6 50.8 -48.5 -47.1 -33.5 64.0 35.4 24 27 A P H > S+ 0 0 0 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.983 113.9 42.9 -55.9 -57.9 -32.6 67.0 33.1 25 28 A L H <>S+ 0 0 1 -4,-2.0 5,-3.0 1,-0.2 -2,-0.2 0.843 114.6 53.2 -55.9 -34.8 -34.0 65.3 30.0 26 29 A Q H ><5S+ 0 0 108 -4,-2.8 3,-1.3 1,-0.2 -1,-0.2 0.917 111.5 42.3 -69.8 -44.4 -37.1 64.1 32.1 27 30 A V H 3<5S+ 0 0 34 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.695 107.3 64.3 -74.9 -16.5 -38.0 67.5 33.4 28 31 A L T 3<5S- 0 0 32 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.293 126.1-102.6 -87.1 12.7 -37.3 68.8 29.9 29 32 A G T < 5S+ 0 0 67 -3,-1.3 -27,-0.3 1,-0.2 -3,-0.2 0.449 76.1 138.9 85.0 1.3 -40.2 66.7 28.8 30 33 A F < - 0 0 22 -5,-3.0 2,-0.9 -6,-0.2 -1,-0.2 -0.422 55.6-126.3 -82.5 156.0 -38.2 63.8 27.2 31 34 A E E -a 3 0A 90 -29,-2.9 -27,-2.8 -2,-0.1 2,-0.6 -0.844 32.9-162.3 -98.2 97.9 -38.9 60.1 27.5 32 35 A V E -a 4 0A 20 -2,-0.9 2,-0.6 -29,-0.2 -27,-0.2 -0.751 15.0-171.8 -94.4 120.4 -35.7 58.7 28.8 33 36 A D E -a 5 0A 30 -29,-3.3 -27,-3.2 -2,-0.6 2,-0.5 -0.932 20.4-158.3-101.3 123.3 -35.0 54.9 28.5 34 37 A A E -a 6 0A 48 -2,-0.6 2,-0.6 -29,-0.2 -27,-0.2 -0.922 20.1-170.6-117.9 124.7 -31.9 54.3 30.5 35 38 A V E -a 7 0A 17 -29,-2.2 -27,-1.5 -2,-0.5 2,-1.0 -0.931 22.6-142.6-102.8 124.4 -29.5 51.4 30.1 36 39 A N E -a 8 0A 67 -2,-0.6 -27,-0.2 -29,-0.2 -29,-0.1 -0.765 11.5-167.1 -94.0 98.8 -27.0 51.6 33.0 37 40 A S E S- 0 0 8 -29,-1.3 17,-2.8 -2,-1.0 2,-0.3 0.654 75.6 -2.5 -55.8 -20.3 -23.6 50.5 31.6 38 41 A V E - C 0 53A 34 -30,-0.4 -28,-1.8 15,-0.3 2,-0.3 -0.956 62.5-143.0-161.2 166.3 -22.3 50.1 35.2 39 42 A Q E +aC 10 52A 91 13,-2.6 13,-2.0 -2,-0.3 2,-0.3 -0.870 27.9 164.7-144.3 107.7 -23.6 50.7 38.8 40 43 A F E -aC 11 51A 41 -30,-1.7 -28,-1.9 -2,-0.3 -27,-0.3 -0.878 49.1-114.8-123.7 154.9 -21.2 52.0 41.4 41 44 A S S S- 0 0 41 9,-2.4 -28,-1.8 -2,-0.3 2,-0.3 0.812 94.6 -28.6 -55.3 -31.7 -21.6 53.5 44.9 42 45 A N S S- 0 0 24 8,-0.3 -1,-0.1 -30,-0.2 -28,-0.1 -0.957 85.8 -61.9-172.1 171.5 -20.2 56.8 43.5 43 46 A H > - 0 0 16 -30,-0.3 3,-1.7 -2,-0.3 5,-0.1 -0.254 51.4-108.7 -68.4 157.9 -17.9 58.2 40.8 44 47 A T T 3 S+ 0 0 83 1,-0.3 -1,-0.1 5,-0.0 5,-0.1 0.297 105.5 85.0 -73.6 13.0 -14.2 57.3 40.9 45 48 A G T 3 S+ 0 0 49 238,-0.1 -1,-0.3 3,-0.0 4,-0.1 0.724 77.6 89.3 -80.6 -21.9 -13.1 60.7 42.0 46 49 A Y S < S- 0 0 35 -3,-1.7 3,-0.0 2,-0.1 -4,-0.0 -0.131 93.7-112.6 -67.1 167.9 -13.9 59.5 45.5 47 50 A S S S+ 0 0 109 1,-0.1 2,-0.3 0, 0.0 -1,-0.1 0.921 100.4 21.0 -67.2 -43.8 -11.3 57.8 47.7 48 51 A H + 0 0 156 -5,-0.1 2,-0.3 2,-0.0 -2,-0.1 -0.768 64.7 169.7-122.4 166.1 -13.2 54.5 47.5 49 52 A W - 0 0 116 -2,-0.3 2,-0.3 -8,-0.1 -6,-0.1 -0.886 7.8-171.6-173.6 142.1 -15.8 53.0 45.2 50 53 A K + 0 0 169 -2,-0.3 -9,-2.4 -8,-0.1 -8,-0.3 -0.950 26.7 116.4-137.1 156.1 -17.4 49.6 44.7 51 54 A G E -C 40 0A 30 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.940 49.7 -94.3 164.8 176.0 -19.7 48.3 42.0 52 55 A Q E -C 39 0A 127 -13,-2.0 -13,-2.6 -2,-0.3 2,-0.4 -0.848 27.7-142.8-117.4 152.1 -20.5 46.1 39.1 53 56 A V E -C 38 0A 96 -2,-0.3 2,-0.5 -15,-0.2 -15,-0.3 -0.914 15.5-126.9-116.8 146.4 -20.1 46.7 35.3 54 57 A L - 0 0 33 -17,-2.8 33,-0.1 -2,-0.4 2,-0.0 -0.771 32.4-144.0 -87.6 128.9 -22.4 45.6 32.6 55 58 A N > - 0 0 62 -2,-0.5 4,-1.7 1,-0.1 5,-0.1 -0.212 26.8 -91.6 -87.2-175.9 -20.5 43.7 29.9 56 59 A S H > S+ 0 0 10 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.899 123.2 45.0 -59.1 -47.9 -20.9 43.6 26.1 57 60 A D H > S+ 0 0 115 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.835 110.5 53.0 -69.1 -36.8 -23.3 40.6 26.1 58 61 A E H > S+ 0 0 72 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.847 104.0 56.8 -70.0 -33.0 -25.5 41.9 28.9 59 62 A L H X S+ 0 0 3 -4,-1.7 4,-1.5 1,-0.2 -1,-0.2 0.958 110.7 45.8 -59.8 -45.1 -25.9 45.1 27.0 60 63 A Q H X S+ 0 0 76 -4,-1.5 4,-3.1 2,-0.2 5,-0.3 0.892 104.1 61.1 -63.1 -42.1 -27.2 43.0 24.2 61 64 A E H X S+ 0 0 136 -4,-2.3 4,-2.2 1,-0.3 -1,-0.2 0.962 107.6 45.6 -48.6 -57.6 -29.4 40.9 26.4 62 65 A L H X S+ 0 0 87 -4,-2.1 4,-2.1 1,-0.2 -1,-0.3 0.819 111.5 52.5 -55.3 -37.4 -31.3 44.1 27.3 63 66 A Y H X S+ 0 0 12 -4,-1.5 4,-3.7 2,-0.2 -1,-0.2 0.918 108.3 49.5 -68.2 -42.6 -31.5 45.1 23.7 64 67 A D H X S+ 0 0 59 -4,-3.1 4,-3.8 2,-0.2 5,-0.2 0.881 108.2 54.7 -63.5 -37.1 -33.0 41.8 22.6 65 68 A G H X S+ 0 0 33 -4,-2.2 4,-1.5 -5,-0.3 -1,-0.2 0.951 112.5 42.8 -59.8 -47.6 -35.5 42.2 25.4 66 69 A L H <>S+ 0 0 42 -4,-2.1 5,-2.3 1,-0.2 3,-0.3 0.964 117.3 47.0 -61.6 -50.3 -36.5 45.5 24.0 67 70 A K H ><5S+ 0 0 66 -4,-3.7 3,-2.1 1,-0.2 5,-0.2 0.916 107.6 55.5 -58.6 -47.2 -36.4 44.2 20.4 68 71 A L H 3<5S+ 0 0 129 -4,-3.8 -1,-0.2 1,-0.3 -2,-0.2 0.833 108.1 47.6 -56.6 -37.3 -38.4 41.0 21.2 69 72 A N T 3<5S- 0 0 121 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.250 115.1-120.9 -87.0 12.9 -41.3 43.1 22.6 70 73 A H T < 5S+ 0 0 152 -3,-2.1 -3,-0.2 1,-0.1 -2,-0.1 0.861 80.1 120.0 49.7 43.6 -41.1 45.3 19.5 71 74 A V < + 0 0 66 -5,-2.3 2,-0.3 -6,-0.2 -4,-0.2 -0.068 28.5 113.0-123.7 32.3 -40.4 48.4 21.6 72 75 A N + 0 0 8 -5,-0.2 2,-0.5 -6,-0.2 29,-0.1 -0.299 41.3 125.6 -98.3 48.8 -37.0 49.3 20.1 73 76 A Q + 0 0 94 -2,-0.3 2,-0.3 -3,-0.0 29,-0.1 -0.935 34.4 168.8-107.8 123.5 -38.3 52.4 18.4 74 77 A Y - 0 0 2 -2,-0.5 31,-0.2 24,-0.3 -70,-0.2 -0.985 39.8-160.5-141.0 151.8 -36.3 55.6 19.4 75 78 A D S S+ 0 0 52 -72,-2.1 31,-2.4 -2,-0.3 2,-0.3 0.711 86.2 20.4 -94.6 -28.2 -35.9 59.2 18.3 76 79 A Y E -bd 4 106A 17 -73,-1.7 -71,-2.3 29,-0.2 2,-0.4 -0.974 55.2-159.8-142.6 156.3 -32.5 59.6 20.0 77 80 A V E -bd 5 107A 0 29,-2.0 31,-2.7 -2,-0.3 2,-0.5 -0.992 13.6-168.6-135.9 124.7 -29.6 57.6 21.4 78 81 A L E +bd 6 108A 2 -73,-2.2 -71,-1.8 -2,-0.4 2,-0.3 -0.969 8.7 175.4-121.9 118.1 -27.2 59.1 23.9 79 82 A T E +bd 7 109A 2 29,-1.7 31,-2.0 -2,-0.5 -71,-0.2 -0.923 6.1 157.1-121.3 148.2 -23.9 57.5 24.8 80 83 A G + 0 0 0 -73,-1.0 2,-0.1 -2,-0.3 -72,-0.0 -0.274 46.7 17.0-136.4-136.2 -21.1 58.7 27.1 81 84 A Y + 0 0 70 -2,-0.1 2,-0.3 30,-0.1 -72,-0.3 -0.221 63.2 166.1 -52.6 118.3 -18.2 57.5 29.2 82 85 A T - 0 0 10 30,-0.5 43,-0.1 1,-0.1 47,-0.0 -0.998 26.1-179.4-138.2 139.7 -17.2 53.9 28.3 83 86 A R + 0 0 140 -2,-0.3 2,-0.3 42,-0.1 -1,-0.1 0.800 64.3 82.4-101.7 -43.0 -14.1 51.8 29.1 84 87 A D > - 0 0 59 1,-0.1 4,-1.8 41,-0.1 5,-0.1 -0.495 57.0-162.2 -72.0 122.7 -14.9 48.5 27.2 85 88 A K H > S+ 0 0 71 -2,-0.3 4,-1.9 2,-0.2 -1,-0.1 0.820 96.5 50.5 -73.0 -30.8 -14.1 48.5 23.5 86 89 A S H > S+ 0 0 56 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.897 108.7 51.9 -71.4 -43.2 -16.4 45.5 23.0 87 90 A F H > S+ 0 0 4 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.908 112.0 47.1 -59.2 -41.7 -19.2 47.3 24.9 88 91 A L H X S+ 0 0 0 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.859 107.8 53.6 -70.2 -37.5 -18.7 50.3 22.5 89 92 A A H X S+ 0 0 16 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.855 108.5 53.2 -64.8 -30.3 -18.7 48.1 19.4 90 93 A M H X S+ 0 0 22 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.854 103.9 55.0 -70.8 -36.0 -22.0 46.8 20.7 91 94 A V H X S+ 0 0 1 -4,-1.4 4,-2.5 1,-0.2 -2,-0.2 0.861 105.5 53.1 -64.8 -37.2 -23.3 50.4 21.0 92 95 A V H X S+ 0 0 3 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.884 107.8 49.8 -66.4 -39.9 -22.6 50.9 17.4 93 96 A D H X S+ 0 0 88 -4,-1.4 4,-2.2 2,-0.2 5,-0.3 0.948 112.0 48.5 -63.0 -48.5 -24.5 47.8 16.3 94 97 A I H X S+ 0 0 6 -4,-2.1 4,-2.4 1,-0.2 5,-0.2 0.939 111.7 48.9 -56.7 -50.3 -27.5 48.9 18.3 95 98 A V H X S+ 0 0 0 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.849 110.8 51.4 -60.5 -35.5 -27.4 52.4 16.9 96 99 A Q H < S+ 0 0 84 -4,-2.0 4,-0.4 2,-0.2 -1,-0.2 0.880 113.3 43.0 -71.2 -37.1 -27.2 51.1 13.3 97 100 A E H X S+ 0 0 72 -4,-2.2 4,-2.3 2,-0.2 3,-0.3 0.799 111.5 54.8 -78.1 -29.5 -30.2 48.8 13.7 98 101 A L H < S+ 0 0 0 -4,-2.4 -24,-0.3 -5,-0.3 -2,-0.2 0.808 105.0 54.1 -72.0 -27.5 -32.1 51.5 15.5 99 102 A K T < S+ 0 0 53 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.662 107.0 51.7 -78.5 -15.2 -31.5 53.8 12.6 100 103 A Q T 4 S+ 0 0 143 -4,-0.4 2,-0.5 -3,-0.3 -2,-0.2 0.919 95.7 67.5 -81.5 -52.8 -33.0 51.1 10.3 101 104 A Q S < S- 0 0 88 -4,-2.3 -27,-0.2 -29,-0.1 0, 0.0 -0.616 115.1-119.6 -57.7 118.7 -36.1 50.8 12.5 102 105 A N + 0 0 129 -2,-0.5 2,-0.3 2,-0.1 -3,-0.1 -0.675 64.4 122.9-108.9 122.1 -36.7 54.3 11.2 103 106 A P S S- 0 0 28 0, 0.0 2,-1.7 0, 0.0 -28,-0.1 -0.752 79.8 -90.0-132.4 168.4 -37.0 57.7 12.8 104 107 A R - 0 0 234 -2,-0.3 -5,-0.1 2,-0.0 -2,-0.1 -0.219 67.0-165.4 -79.4 47.3 -34.8 60.7 12.1 105 108 A L - 0 0 9 -2,-1.7 2,-0.6 -7,-0.2 -29,-0.2 -0.103 8.7-153.6 -44.3 120.4 -32.9 59.0 14.9 106 109 A V E -d 76 0A 33 -31,-2.4 -29,-2.0 36,-0.0 2,-0.8 -0.905 1.8-154.4-105.5 118.8 -30.3 61.3 16.3 107 110 A Y E -d 77 0A 0 -2,-0.6 35,-2.7 -31,-0.2 36,-1.9 -0.829 7.4-165.3 -95.9 104.9 -27.2 59.8 17.9 108 111 A V E -de 78 143A 0 -31,-2.7 -29,-1.7 -2,-0.8 2,-0.5 -0.828 13.3-173.4 -94.2 108.2 -25.7 62.2 20.4 109 112 A C E -de 79 144A 0 34,-2.9 36,-1.6 -2,-0.8 -29,-0.2 -0.903 23.2-164.9-112.2 127.9 -22.2 60.9 21.3 110 113 A D - 0 0 12 -31,-2.0 2,-3.2 -2,-0.5 34,-0.1 -0.871 21.3-148.3-106.2 93.3 -19.9 62.3 24.0 111 114 A P - 0 0 0 0, 0.0 2,-0.2 0, 0.0 36,-0.2 -0.258 20.7-168.6 -64.5 62.5 -16.6 60.6 22.9 112 115 A V + 0 0 13 -2,-3.2 -30,-0.5 1,-0.2 3,-0.1 -0.357 34.9 131.1 -61.5 119.4 -15.2 60.3 26.4 113 116 A M S S- 0 0 0 1,-0.5 11,-1.9 -2,-0.2 12,-1.0 0.433 71.7 -56.5-142.6 -19.6 -11.5 59.4 26.4 114 117 A G E -J 123 0B 0 9,-0.3 -1,-0.5 10,-0.2 2,-0.3 -0.967 52.7 -94.2 161.3-172.2 -9.8 61.8 28.7 115 118 A D E -J 122 0B 32 7,-1.2 7,-0.6 -2,-0.3 2,-0.4 -0.899 32.0-104.3-133.6 168.7 -9.3 65.5 29.4 116 119 A Q + 0 0 15 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.778 23.4 175.0-108.0 137.8 -6.8 68.2 28.6 117 120 A R > - 0 0 169 -2,-0.4 2,-1.3 3,-0.3 3,-1.0 -0.994 63.5 -82.2-130.0 119.1 -4.1 69.9 30.7 118 121 A N T 3 S+ 0 0 133 -2,-0.4 3,-0.1 1,-0.2 68,-0.1 0.162 116.4 18.5 3.1 -40.4 -2.1 72.3 28.3 119 122 A G T 3 S+ 0 0 50 -2,-1.3 2,-0.3 1,-0.4 -1,-0.2 0.720 130.3 7.7-112.2 -39.7 0.5 70.0 26.6 120 123 A E < - 0 0 159 -3,-1.0 -1,-0.4 -5,-0.0 2,-0.3 -1.000 67.8-134.2-146.1 139.9 -0.7 66.5 27.0 121 124 A G - 0 0 17 -2,-0.3 2,-0.6 -5,-0.2 -5,-0.2 -0.746 20.5-118.6-101.6 144.4 -3.9 65.0 28.3 122 125 A A E -J 115 0B 68 -7,-0.6 -7,-1.2 -2,-0.3 2,-0.5 -0.671 30.5-132.3 -78.6 119.8 -4.3 62.1 30.7 123 126 A M E -J 114 0B 67 -2,-0.6 -9,-0.3 -9,-0.2 4,-0.1 -0.637 18.9-170.1 -76.6 123.0 -6.3 59.3 28.9 124 127 A Y S S+ 0 0 120 -11,-1.9 -10,-0.2 -2,-0.5 -1,-0.2 0.931 71.4 48.3 -73.3 -51.5 -9.1 58.0 31.1 125 128 A V S S- 0 0 4 -12,-1.0 -42,-0.1 1,-0.1 -41,-0.1 -0.394 101.8 -84.5 -88.7 165.0 -9.9 55.0 28.9 126 129 A P > - 0 0 40 0, 0.0 3,-1.4 0, 0.0 4,-0.3 -0.335 36.7-120.8 -66.6 151.6 -7.6 52.4 27.3 127 130 A D T 3 S+ 0 0 122 1,-0.3 3,-0.3 2,-0.2 -2,-0.0 0.529 106.2 75.0 -75.0 -3.2 -6.0 53.5 24.0 128 131 A D T 3> S+ 0 0 89 1,-0.2 4,-0.5 2,-0.2 -1,-0.3 0.458 88.9 63.1 -85.2 1.9 -7.5 50.5 22.1 129 132 A L H <> S+ 0 0 0 -3,-1.4 4,-2.3 2,-0.1 5,-0.2 0.731 86.6 70.7 -91.9 -28.9 -10.8 52.5 22.3 130 133 A L H > S+ 0 0 27 -4,-0.3 4,-2.6 -3,-0.3 5,-0.3 0.934 95.7 51.2 -55.3 -51.9 -9.5 55.4 20.2 131 134 A P H > S+ 0 0 42 0, 0.0 4,-4.5 0, 0.0 5,-0.3 0.942 112.4 47.4 -50.7 -51.5 -9.5 53.4 17.0 132 135 A V H X>S+ 0 0 10 -4,-0.5 5,-2.9 2,-0.2 4,-2.5 0.862 112.8 47.0 -58.5 -43.5 -13.1 52.3 17.6 133 136 A Y H <>S+ 0 0 0 -4,-2.3 5,-3.1 3,-0.2 -1,-0.2 0.880 121.5 38.8 -66.1 -38.5 -14.4 55.8 18.4 134 137 A R H <5S+ 0 0 87 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.907 127.3 32.6 -77.8 -45.7 -12.6 57.1 15.4 135 138 A E H <5S+ 0 0 124 -4,-4.5 -3,-0.2 -5,-0.3 -2,-0.2 0.820 136.6 9.8 -87.7 -33.1 -13.3 54.2 13.0 136 139 A K T <5S+ 0 0 99 -4,-2.5 4,-0.5 -5,-0.3 -3,-0.2 0.747 124.3 48.3-115.6 -38.9 -16.7 52.9 14.0 137 140 A V T > - 0 0 18 -36,-0.2 4,-2.5 35,-0.2 38,-0.2 -0.227 36.8-105.8 -84.0-176.6 -12.9 68.0 24.6 148 151 A Q H > S+ 0 0 5 36,-1.0 4,-3.1 2,-0.2 5,-0.2 0.902 128.0 51.6 -78.6 -42.7 -10.2 69.7 22.7 149 152 A F H > S+ 0 0 12 1,-0.2 4,-2.0 35,-0.2 -1,-0.2 0.850 114.1 45.1 -58.6 -34.3 -8.0 66.7 23.8 150 153 A E H > S+ 0 0 5 2,-0.2 4,-2.6 -36,-0.2 -1,-0.2 0.929 110.3 50.4 -77.7 -45.7 -10.7 64.5 22.4 151 154 A A H X S+ 0 0 0 -4,-2.5 4,-1.6 2,-0.2 6,-0.3 0.930 113.3 49.5 -57.1 -43.7 -11.2 66.4 19.1 152 155 A E H >X>S+ 0 0 10 -4,-3.1 4,-2.9 2,-0.2 3,-1.3 0.988 110.9 46.0 -58.2 -65.9 -7.5 66.2 18.6 153 156 A L H 3<5S+ 0 0 41 -4,-2.0 -2,-0.2 1,-0.3 3,-0.2 0.903 110.8 55.5 -41.5 -54.4 -7.0 62.5 19.3 154 157 A L H 3<5S+ 0 0 1 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.811 119.8 30.3 -51.1 -37.8 -10.1 61.7 17.0 155 158 A T H <<5S- 0 0 23 -4,-1.6 -1,-0.2 -3,-1.3 -2,-0.2 0.627 101.1-128.1 -98.7 -15.7 -8.5 63.6 14.1 156 159 A G T <5S+ 0 0 73 -4,-2.9 2,-0.4 1,-0.2 -3,-0.2 0.701 76.5 110.4 74.8 19.0 -4.9 62.9 14.9 157 160 A R < - 0 0 90 -5,-1.1 -1,-0.2 -6,-0.3 -2,-0.2 -0.993 64.6-132.3-130.1 125.4 -4.2 66.7 14.6 158 161 A K - 0 0 101 -2,-0.4 2,-0.5 -3,-0.1 -9,-0.1 -0.431 17.1-126.9 -80.2 152.2 -3.4 68.8 17.6 159 162 A I + 0 0 7 -2,-0.1 27,-0.1 1,-0.1 6,-0.1 -0.872 36.3 155.9-106.1 124.6 -5.1 72.2 18.3 160 163 A H + 0 0 138 -2,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.254 66.4 13.6-126.4 9.6 -3.2 75.5 19.0 161 164 A S S > S- 0 0 40 1,-0.1 4,-0.6 26,-0.1 -1,-0.2 -0.981 78.0 -98.0-171.0 170.5 -5.8 78.2 18.0 162 165 A Q H >> S+ 0 0 60 -2,-0.3 4,-1.3 2,-0.2 3,-0.7 0.941 119.5 56.2 -64.8 -44.7 -9.4 79.0 17.3 163 166 A E H >> S+ 0 0 136 1,-0.3 4,-1.0 2,-0.2 3,-0.9 0.927 111.7 37.7 -51.9 -58.4 -8.6 78.8 13.6 164 167 A E H 3> S+ 0 0 35 1,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.549 109.7 66.0 -76.8 -2.3 -7.1 75.3 13.5 165 168 A A H X S+ 0 0 0 -4,-1.6 3,-1.7 -3,-0.3 4,-0.7 0.954 104.1 55.8 -67.7 -51.8 -14.9 65.9 12.3 173 176 A H H >< S+ 0 0 3 -4,-2.8 3,-1.1 1,-0.3 -1,-0.2 0.836 102.5 58.7 -48.7 -38.5 -17.9 66.8 10.2 174 177 A S H 3< S+ 0 0 91 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.818 98.5 58.2 -62.6 -32.8 -16.3 64.8 7.3 175 178 A M H << S- 0 0 64 -3,-1.7 -1,-0.3 -4,-0.7 -2,-0.2 0.680 132.1 -86.5 -72.4 -16.6 -16.3 61.7 9.5 176 179 A G S << S+ 0 0 27 -3,-1.1 2,-0.4 -4,-0.7 -3,-0.2 -0.118 89.7 113.1 146.0 -51.3 -20.0 62.0 9.9 177 180 A P - 0 0 0 0, 0.0 -1,-0.2 0, 0.0 -35,-0.2 -0.415 42.0-162.8 -62.1 112.9 -21.4 64.3 12.7 178 181 A D S S+ 0 0 72 -2,-0.4 25,-2.2 -36,-0.2 2,-0.4 0.672 79.8 51.3 -70.1 -15.6 -23.2 67.3 11.2 179 182 A T E +fG 143 202A 10 -37,-2.0 -35,-1.6 23,-0.2 2,-0.3 -0.982 65.7 175.1-125.4 133.9 -22.9 68.9 14.6 180 183 A V E -fG 144 201A 0 21,-1.6 21,-0.5 -2,-0.4 2,-0.3 -0.980 6.1-177.0-135.4 147.1 -19.8 69.3 16.7 181 184 A V E - G 0 200A 0 -37,-1.4 2,-1.1 -2,-0.3 19,-0.3 -0.964 19.5-149.8-145.5 123.4 -19.2 71.1 20.0 182 185 A I E - G 0 199A 2 17,-4.5 17,-2.2 -2,-0.3 -35,-0.2 -0.853 16.1-165.9 -94.0 100.9 -15.8 71.5 21.7 183 186 A T - 0 0 29 -37,-1.8 2,-0.3 -2,-1.1 -36,-0.2 0.643 67.4 -1.7 -63.8 -18.1 -17.2 71.6 25.3 184 187 A S + 0 0 22 -38,-0.5 -36,-1.0 15,-0.1 2,-0.3 -0.899 67.3 172.7-172.5 143.7 -13.8 72.9 26.7 185 188 A S - 0 0 14 12,-0.5 12,-0.5 -2,-0.3 -67,-0.0 -0.958 42.6-112.5-151.8 168.0 -10.3 73.7 25.4 186 189 A N S S+ 0 0 50 -2,-0.3 3,-0.1 -27,-0.1 -1,-0.1 0.813 75.1 120.2 -72.9 -32.0 -7.0 75.1 26.4 187 190 A L S S- 0 0 26 1,-0.1 2,-0.4 10,-0.1 10,-0.3 0.054 71.6-114.9 -38.3 134.3 -7.4 78.1 24.0 188 191 A L - 0 0 133 8,-0.1 -1,-0.1 2,-0.0 -26,-0.1 -0.630 32.7-136.2 -75.8 123.9 -7.3 81.5 25.7 189 192 A S > - 0 0 4 6,-0.5 3,-2.6 -2,-0.4 6,-0.2 -0.588 19.0-114.6 -85.4 147.3 -10.8 83.1 25.3 190 193 A P T 3 S+ 0 0 87 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.406 113.5 65.4 -58.2 6.9 -11.1 86.8 24.2 191 194 A R T 3 S- 0 0 150 1,-0.3 3,-0.2 4,-0.1 2,-0.1 0.518 110.6 -95.7-109.3 -9.3 -12.6 87.2 27.7 192 195 A G X - 0 0 30 -3,-2.6 3,-1.8 1,-0.1 -3,-0.4 -0.440 44.4 -63.3 118.7 167.7 -9.7 86.4 29.9 193 196 A S T 3 S+ 0 0 99 1,-0.3 -1,-0.1 -2,-0.1 29,-0.0 0.663 124.5 70.3 -63.3 -15.2 -8.0 83.6 31.9 194 197 A D T 3 S+ 0 0 98 -3,-0.2 28,-2.2 -5,-0.1 2,-0.4 0.602 89.5 69.9 -78.2 -15.9 -11.2 83.7 34.0 195 198 A Y E < - H 0 221A 54 -3,-1.8 -6,-0.5 26,-0.2 2,-0.3 -0.848 69.7-140.8-112.0 143.9 -13.4 82.2 31.2 196 199 A L E - H 0 220A 51 24,-3.3 24,-1.8 -2,-0.4 2,-0.5 -0.734 24.1-136.5 -94.2 148.0 -13.6 78.8 29.7 197 200 A M E - H 0 219A 4 -12,-0.5 -12,-0.5 -2,-0.3 2,-0.3 -0.928 18.2-173.2-117.1 127.5 -14.2 78.6 26.0 198 201 A A E - H 0 218A 9 20,-2.5 20,-2.7 -2,-0.5 2,-0.3 -0.854 7.4-167.6-111.3 148.0 -16.5 76.2 24.1 199 202 A L E +GH 182 217A 2 -17,-2.2 -17,-4.5 -2,-0.3 2,-0.2 -0.914 11.3 162.1-132.8 158.3 -16.6 76.0 20.3 200 203 A G E -GH 181 216A 0 16,-1.3 16,-1.7 -19,-0.3 2,-0.4 -0.763 14.6-166.1-180.0 132.9 -19.1 74.3 17.8 201 204 A S E -GH 180 215A 0 -21,-0.5 -21,-1.6 14,-0.2 2,-0.5 -0.959 9.8-151.7-128.2 144.8 -20.1 74.3 14.2 202 205 A Q E -GH 179 214A 18 12,-2.4 12,-1.4 -2,-0.4 2,-1.4 -0.948 4.1-157.4-118.3 112.6 -23.1 72.9 12.4 203 206 A R E - H 0 213A 78 -25,-2.2 10,-0.3 -2,-0.5 2,-0.2 -0.677 22.9-166.7 -89.2 85.0 -22.8 71.8 8.7 204 207 A T E - H 0 212A 26 8,-2.5 2,-1.0 -2,-1.4 8,-0.5 -0.479 18.7-143.3 -74.9 136.2 -26.4 72.0 7.6 205 208 A R - 0 0 208 -2,-0.2 6,-0.1 6,-0.1 4,-0.1 -0.842 28.2-169.5 -99.8 98.8 -27.6 70.4 4.3 206 209 A A > - 0 0 28 -2,-1.0 4,-0.8 4,-0.4 3,-0.4 -0.313 38.9 -62.0 -81.1 169.2 -30.2 72.9 3.2 207 210 A P T 4 S+ 0 0 122 0, 0.0 3,-0.2 0, 0.0 -1,-0.2 -0.196 124.6 27.2 -53.4 144.3 -32.6 72.3 0.2 208 211 A D T 4 S- 0 0 159 1,-0.2 -2,-0.1 -3,-0.1 0, 0.0 0.860 125.1 -84.3 67.7 39.3 -30.9 71.8 -3.1 209 212 A G T 4 S+ 0 0 60 -3,-0.4 -1,-0.2 -4,-0.1 2,-0.2 0.790 76.1 157.5 30.7 64.0 -27.8 70.5 -1.4 210 213 A S < - 0 0 66 -4,-0.8 -4,-0.4 -3,-0.2 2,-0.4 -0.446 43.1-108.4 -97.3 179.0 -26.0 73.8 -0.6 211 214 A V + 0 0 111 -2,-0.2 2,-0.3 -6,-0.1 -6,-0.1 -0.861 33.9 176.7-110.3 148.2 -23.5 74.0 2.2 212 215 A V E +H 204 0A 60 -8,-0.5 -8,-2.5 -2,-0.4 2,-0.5 -0.808 4.5 171.2-152.3 105.0 -24.2 75.8 5.5 213 216 A T E -H 203 0A 38 -2,-0.3 2,-0.5 -10,-0.3 -10,-0.2 -0.661 9.1-174.7-121.6 78.0 -21.6 75.7 8.2 214 217 A Q E -H 202 0A 44 -12,-1.4 -12,-2.4 -2,-0.5 2,-0.3 -0.581 10.4-167.7 -72.8 121.0 -22.6 78.0 11.1 215 218 A R E -H 201 0A 55 -2,-0.5 94,-4.2 -14,-0.2 2,-0.3 -0.794 6.8-178.6-111.6 152.5 -19.8 78.2 13.7 216 219 A I E -HI 200 308A 2 -16,-1.7 -16,-1.3 -2,-0.3 2,-0.4 -0.907 20.2-140.2-144.8 175.3 -20.0 79.7 17.2 217 220 A R E -HI 199 307A 47 90,-0.9 90,-2.4 -2,-0.3 2,-0.4 -1.000 11.9-165.0-141.3 133.0 -18.1 80.5 20.4 218 221 A M E -H 198 0A 1 -20,-2.7 -20,-2.5 -2,-0.4 2,-0.5 -0.954 4.2-160.3-121.0 140.8 -19.3 80.3 24.0 219 222 A E E -H 197 0A 17 -2,-0.4 2,-0.5 86,-0.2 -22,-0.2 -0.906 9.0-173.8-123.5 103.7 -17.7 81.8 27.1 220 223 A M E -H 196 0A 35 -24,-1.8 -24,-3.3 -2,-0.5 2,-0.4 -0.848 31.5-118.5 -99.5 128.2 -18.6 80.4 30.5 221 224 A H E -H 195 0A 78 -2,-0.5 -26,-0.2 -26,-0.2 -27,-0.0 -0.497 40.9-120.6 -63.6 117.7 -17.3 82.1 33.5 222 225 A K - 0 0 111 -28,-2.2 2,-0.3 -2,-0.4 -1,-0.1 0.145 21.9-135.1 -53.5 175.0 -15.1 79.4 35.2 223 226 A V - 0 0 35 2,-0.2 2,-3.0 -28,-0.0 -1,-0.1 -0.996 17.3-117.1-143.7 135.0 -15.6 78.1 38.7 224 227 A D S S+ 0 0 119 -2,-0.3 2,-0.3 2,-0.1 -2,-0.0 -0.106 86.4 68.5 -64.5 47.6 -13.2 77.4 41.7 225 228 A A S S- 0 0 33 -2,-3.0 2,-0.7 61,-0.0 -2,-0.2 -0.975 78.2-117.3-157.6 166.0 -13.8 73.6 41.8 226 229 A V - 0 0 110 -2,-0.3 2,-0.2 2,-0.0 60,-0.1 -0.931 39.1-166.7-112.9 102.9 -13.3 70.4 40.0 227 230 A F - 0 0 30 -2,-0.7 2,-0.5 60,-0.0 60,-0.1 -0.481 10.7-140.5 -87.6 158.8 -16.7 69.0 39.1 228 231 A V S S+ 0 0 50 58,-0.3 60,-0.3 -2,-0.2 -213,-0.2 -0.984 78.6 16.7-125.0 128.5 -17.5 65.5 37.9 229 232 A G S > S+ 0 0 12 -2,-0.5 4,-2.1 -213,-0.1 5,-0.2 0.509 73.8 127.6 95.6 4.7 -20.1 64.8 35.2 230 233 A T H > S+ 0 0 48 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.888 74.5 57.6 -61.7 -35.0 -20.5 68.2 33.7 231 234 A G H > S+ 0 0 24 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.899 107.9 46.8 -60.4 -39.3 -19.8 66.7 30.3 232 235 A D H > S+ 0 0 13 -3,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.881 111.3 48.8 -69.8 -41.6 -22.8 64.4 30.8 233 236 A L H X S+ 0 0 0 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.810 113.2 51.6 -67.0 -30.7 -25.2 67.1 32.0 234 237 A F H X S+ 0 0 13 -4,-2.0 4,-3.0 -5,-0.2 5,-0.2 0.978 108.3 45.7 -69.8 -61.2 -24.1 69.2 29.0 235 238 A A H X S+ 0 0 3 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.821 111.7 55.9 -54.4 -32.7 -24.6 66.6 26.2 236 239 A A H X S+ 0 0 0 -4,-1.4 4,-1.6 2,-0.2 -1,-0.2 0.945 112.7 38.3 -67.7 -48.2 -28.0 65.8 27.7 237 240 A M H X S+ 0 0 0 -4,-1.6 4,-3.0 2,-0.2 5,-0.2 0.842 112.5 57.9 -71.6 -33.4 -29.3 69.3 27.7 238 241 A L H X S+ 0 0 0 -4,-3.0 4,-3.3 2,-0.2 5,-0.4 0.946 104.6 52.6 -58.5 -47.7 -27.7 70.0 24.3 239 242 A L H X S+ 0 0 0 -4,-2.2 4,-1.1 -5,-0.2 -1,-0.2 0.934 111.2 48.5 -50.1 -50.1 -29.7 67.0 23.0 240 243 A A H X S+ 0 0 3 -4,-1.6 4,-1.3 1,-0.2 -2,-0.2 0.928 116.1 39.4 -57.7 -53.1 -32.7 68.8 24.4 241 244 A W H X S+ 0 0 24 -4,-3.0 4,-2.9 1,-0.2 -2,-0.2 0.849 109.3 56.8 -71.8 -38.1 -32.1 72.3 23.0 242 245 A T H < S+ 0 0 15 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.791 104.9 57.3 -63.9 -25.1 -30.8 71.2 19.5 243 246 A H H < S+ 0 0 75 -4,-1.1 -1,-0.2 -5,-0.4 -2,-0.2 0.943 111.0 41.1 -66.9 -47.1 -34.1 69.4 19.3 244 247 A K H < S+ 0 0 146 -4,-1.3 -2,-0.2 1,-0.3 -1,-0.2 0.849 128.3 33.1 -67.4 -35.1 -35.9 72.7 19.9 245 248 A H S >< S+ 0 0 40 -4,-2.9 3,-1.2 1,-0.1 -1,-0.3 -0.602 70.2 171.1-125.8 71.1 -33.4 74.5 17.6 246 249 A P T 3 S+ 0 0 72 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.687 85.3 22.0 -50.4 -29.9 -32.5 72.0 14.8 247 250 A N T 3 S+ 0 0 110 1,-0.1 2,-0.2 -43,-0.0 3,-0.2 0.202 108.3 79.9-127.5 12.8 -30.6 74.6 12.7 248 251 A N X> + 0 0 55 -3,-1.2 4,-1.9 -6,-0.2 3,-0.8 -0.528 42.9 162.6-120.5 64.3 -29.8 77.2 15.3 249 252 A L H 3> S+ 0 0 1 1,-0.3 4,-2.9 -2,-0.2 5,-0.4 0.849 74.1 67.9 -48.7 -34.7 -26.8 75.8 17.1 250 253 A K H 3> S+ 0 0 56 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.929 105.7 35.9 -51.2 -55.1 -26.3 79.4 18.4 251 254 A V H <> S+ 0 0 27 -3,-0.8 4,-2.4 2,-0.2 -1,-0.2 0.813 115.3 57.1 -72.1 -29.3 -29.4 79.3 20.5 252 255 A A H X S+ 0 0 0 -4,-1.9 4,-2.3 -7,-0.2 -2,-0.2 0.932 109.7 42.5 -68.6 -46.7 -29.0 75.7 21.5 253 256 A C H X S+ 0 0 0 -4,-2.9 4,-2.8 2,-0.2 5,-0.3 0.828 112.5 57.3 -68.4 -30.7 -25.5 76.1 23.0 254 257 A E H X S+ 0 0 9 -4,-1.4 4,-2.6 -5,-0.4 5,-0.2 0.993 111.1 39.2 -62.4 -60.6 -26.7 79.3 24.6 255 258 A K H X S+ 0 0 50 -4,-2.4 4,-2.0 2,-0.2 5,-0.2 0.898 118.0 52.5 -55.9 -41.0 -29.5 77.7 26.5 256 259 A T H X S+ 0 0 0 -4,-2.3 4,-1.8 -5,-0.2 3,-0.3 0.981 114.1 38.5 -57.1 -64.9 -27.2 74.7 27.2 257 260 A V H X S+ 0 0 6 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.792 113.0 58.3 -59.1 -33.0 -24.3 76.6 28.6 258 261 A S H X S+ 0 0 0 -4,-2.6 4,-1.8 -5,-0.3 -1,-0.2 0.931 108.9 43.3 -65.3 -44.5 -26.5 79.0 30.5 259 262 A A H X S+ 0 0 0 -4,-2.0 4,-2.0 -3,-0.3 5,-0.2 0.835 110.1 60.1 -67.5 -31.7 -28.2 76.2 32.4 260 263 A M H X S+ 0 0 9 -4,-1.8 4,-2.3 -5,-0.2 -2,-0.2 0.947 106.9 44.1 -59.3 -50.2 -24.7 74.8 32.9 261 264 A H H X S+ 0 0 44 -4,-2.3 4,-2.1 1,-0.2 5,-0.2 0.834 109.9 56.1 -64.2 -36.8 -23.6 77.9 34.7 262 265 A H H X S+ 0 0 32 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.897 111.9 42.0 -64.5 -41.7 -26.7 78.1 36.8 263 266 A V H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 26,-0.4 0.914 114.3 50.7 -72.9 -43.1 -26.3 74.6 38.2 264 267 A L H X S+ 0 0 4 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.846 111.7 48.0 -65.7 -33.0 -22.6 74.9 38.7 265 268 A Q H X S+ 0 0 77 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.945 112.6 47.7 -72.3 -44.3 -23.0 78.2 40.6 266 269 A R H X S+ 0 0 75 -4,-1.9 4,-1.6 -5,-0.2 -2,-0.2 0.849 114.7 49.9 -62.4 -31.9 -25.8 76.7 42.8 267 270 A T H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 5,-0.3 0.989 106.9 49.7 -68.6 -62.7 -23.5 73.7 43.3 268 271 A I H X S+ 0 0 8 -4,-2.5 4,-1.1 1,-0.2 -1,-0.2 0.707 110.1 56.3 -50.6 -24.6 -20.3 75.5 44.4 269 272 A K H X S+ 0 0 140 -4,-1.3 4,-3.7 2,-0.2 3,-0.3 0.965 109.1 41.1 -74.1 -55.2 -22.4 77.5 46.8 270 273 A C H X S+ 0 0 33 -4,-1.6 4,-0.6 1,-0.3 -2,-0.2 0.753 112.5 57.0 -66.7 -21.7 -23.9 74.6 48.8 271 274 A A H < S+ 0 0 0 -4,-2.1 -1,-0.3 2,-0.2 -2,-0.2 0.863 114.3 39.2 -73.3 -35.3 -20.5 72.9 48.6 272 275 A K H >< S+ 0 0 81 -4,-1.1 3,-2.5 -3,-0.3 -2,-0.2 0.914 111.4 54.6 -78.2 -46.1 -19.1 75.9 50.3 273 276 A A H 3< S+ 0 0 93 -4,-3.7 -1,-0.2 1,-0.3 -2,-0.2 0.724 113.2 48.2 -59.7 -17.6 -22.0 76.5 52.7 274 277 A K T 3< S+ 0 0 111 -4,-0.6 2,-0.4 -5,-0.3 -1,-0.3 0.275 107.1 64.2-105.0 7.2 -21.3 72.8 53.6 275 278 A S S < S- 0 0 21 -3,-2.5 -1,-0.1 6,-0.1 3,-0.1 -0.956 80.8-120.4-141.1 122.1 -17.5 73.3 54.1 276 279 A G > - 0 0 52 -2,-0.4 3,-1.5 1,-0.1 2,-0.1 -0.015 44.4 -85.7 -52.8 155.7 -15.6 75.3 56.6 277 280 A E T 3 S+ 0 0 188 1,-0.2 -1,-0.1 3,-0.0 3,-0.1 -0.426 114.0 25.6 -66.1 136.0 -13.2 78.1 55.5 278 281 A G T 3 S+ 0 0 83 1,-0.2 2,-0.5 -2,-0.1 -1,-0.2 0.384 99.5 102.3 92.8 -4.6 -9.7 76.9 54.7 279 282 A V S < S- 0 0 78 -3,-1.5 -1,-0.2 -4,-0.1 0, 0.0 -0.960 72.5-127.4-117.4 122.8 -10.8 73.3 53.9 280 283 A K - 0 0 183 -2,-0.5 -4,-0.1 -3,-0.1 -3,-0.0 -0.490 33.0-112.8 -69.1 126.7 -11.1 72.2 50.3 281 284 A P - 0 0 22 0, 0.0 -1,-0.1 0, 0.0 -9,-0.1 -0.251 32.4-119.3 -58.6 150.5 -14.6 70.7 49.6 282 285 A S >> - 0 0 46 -11,-0.1 4,-2.0 1,-0.1 3,-1.0 -0.535 23.1-105.2 -96.8 154.8 -14.8 67.0 48.8 283 286 A P T 34 S+ 0 0 47 0, 0.0 4,-0.3 0, 0.0 -55,-0.1 0.787 123.8 59.2 -44.0 -28.1 -16.0 65.2 45.7 284 287 A A T >4 S+ 0 0 43 1,-0.2 3,-0.8 2,-0.2 -238,-0.0 0.915 107.3 40.8 -68.6 -47.5 -19.0 64.4 47.9 285 288 A Q T <4 S+ 0 0 40 -3,-1.0 -1,-0.2 1,-0.2 -11,-0.1 0.695 109.9 61.9 -75.5 -18.4 -19.9 68.1 48.5 286 289 A L T 3< S+ 0 0 20 -4,-2.0 -58,-0.3 -15,-0.1 -1,-0.2 0.481 71.2 125.6 -86.6 -4.7 -19.2 68.9 44.9 287 290 A E S < S- 0 0 17 -3,-0.8 -58,-0.1 -4,-0.3 -271,-0.1 -0.321 76.9 -94.0 -55.1 134.3 -21.9 66.6 43.5 288 291 A L - 0 0 3 -60,-0.3 2,-2.2 -273,-0.3 3,-0.3 -0.219 24.8-128.1 -54.7 134.5 -24.2 68.7 41.3 289 292 A R > + 0 0 61 -26,-0.4 4,-1.0 1,-0.2 -1,-0.1 -0.565 51.4 157.2 -84.4 72.4 -27.3 70.1 43.1 290 293 A M T >4 + 0 0 0 -2,-2.2 3,-1.1 2,-0.2 -1,-0.2 0.966 63.2 48.6 -62.8 -64.7 -29.4 68.6 40.3 291 294 A V G >4 S+ 0 0 79 -3,-0.3 3,-0.9 1,-0.3 -1,-0.2 0.854 113.3 52.3 -48.6 -38.0 -32.8 68.2 41.9 292 295 A Q G 34 S+ 0 0 84 1,-0.2 3,-0.3 2,-0.1 -1,-0.3 0.769 102.2 57.0 -71.9 -29.3 -32.4 71.9 43.1 293 296 A S G S+ 0 0 83 -3,-0.9 4,-2.8 1,-0.2 3,-1.0 0.918 75.0 40.7 -43.3 -71.3 -34.9 72.0 38.1 295 298 A K H 3> S+ 0 0 133 1,-0.3 4,-4.1 -3,-0.3 -1,-0.2 0.889 114.5 53.7 -47.0 -48.1 -36.4 75.2 37.0 296 299 A D H 34 S+ 0 0 37 1,-0.2 -1,-0.3 2,-0.2 -2,-0.2 0.858 110.6 47.6 -57.6 -35.1 -33.1 76.5 35.8 297 300 A I H << S+ 0 0 0 -4,-2.4 -2,-0.2 -3,-1.0 -1,-0.2 0.923 116.2 45.1 -69.4 -44.2 -32.8 73.3 33.7 298 301 A E H < S+ 0 0 61 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.964 133.0 14.2 -61.7 -57.4 -36.4 73.9 32.5 299 302 A S S < S- 0 0 95 -4,-4.1 2,-0.4 -5,-0.1 -1,-0.3 -0.834 78.5-159.5-126.8 92.5 -36.0 77.6 31.7 300 303 A P - 0 0 16 0, 0.0 2,-0.6 0, 0.0 -41,-0.1 -0.554 19.3-128.8 -73.9 122.7 -32.3 78.7 31.6 301 304 A E - 0 0 140 -2,-0.4 2,-1.0 -43,-0.2 -39,-0.1 -0.620 29.7-119.8 -74.1 119.0 -31.8 82.5 32.1 302 305 A I + 0 0 76 -2,-0.6 -1,-0.1 1,-0.2 -47,-0.1 -0.439 52.9 152.8 -63.7 97.4 -29.6 83.4 29.1 303 306 A V + 0 0 73 -2,-1.0 2,-0.4 -49,-0.2 -1,-0.2 0.341 59.4 68.0-106.5 2.8 -26.5 84.9 30.8 304 307 A V - 0 0 13 -50,-0.1 2,-0.5 -3,-0.1 -46,-0.1 -0.941 65.1-154.6-125.3 147.0 -24.4 83.9 27.8 305 308 A Q - 0 0 140 -2,-0.4 2,-0.5 -86,-0.2 -86,-0.2 -0.983 19.5-133.1-121.3 119.9 -24.3 85.2 24.3 306 309 A A - 0 0 9 -2,-0.5 2,-0.8 -56,-0.2 -88,-0.2 -0.617 16.9-136.1 -76.9 123.2 -23.0 82.9 21.5 307 310 A T E -I 217 0A 52 -90,-2.4 -90,-0.9 -2,-0.5 2,-0.2 -0.702 22.6-130.5 -80.8 108.9 -20.5 84.7 19.3 308 311 A V E I 216 0A 81 -2,-0.8 -92,-0.3 -92,-0.2 -1,-0.0 -0.435 360.0 360.0 -65.6 126.2 -21.5 83.7 15.8 309 312 A L 0 0 121 -94,-4.2 -1,-0.2 -2,-0.2 -93,-0.2 -0.353 360.0 360.0 76.7 360.0 -18.5 82.6 13.8