==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 28-DEC-10 3Q5I . COMPND 2 MOLECULE: PROTEIN KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM BERGHEI; . AUTHOR A.K.WERNIMONT,A.HUTCHINSON,H.SULLIVAN,E.PANICO,L.CROMBET,D.C . 470 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21583.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 311 66.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 49 10.4 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 . 1 0.2 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 . 26 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 171 36.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.1 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 3 2 0 1 2 1 2 2 2 2 2 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 3 1 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 3 0 1 0 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 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 29 A G > 0 0 93 0, 0.0 3,-2.4 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 40.1 -5.0 -33.7 -1.8 2 30 A R G > + 0 0 139 1,-0.3 3,-1.5 2,-0.2 4,-0.4 0.675 360.0 78.6 -62.1 -16.4 -8.5 -33.5 -0.3 3 31 A E G > S+ 0 0 102 1,-0.3 3,-0.6 2,-0.2 -1,-0.3 0.803 91.1 52.9 -57.8 -32.4 -7.2 -30.6 1.8 4 32 A N G < S+ 0 0 65 -3,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.511 100.4 62.3 -85.0 -3.3 -7.7 -28.4 -1.3 5 33 A L G < S+ 0 0 139 -3,-1.5 2,-0.3 -4,-0.2 -1,-0.2 0.509 105.7 44.8 -97.0 -7.8 -11.3 -29.5 -1.8 6 34 A Y S < S+ 0 0 155 -3,-0.6 -1,-0.0 -4,-0.4 0, 0.0 -0.956 109.5 9.0-137.8 156.5 -12.5 -28.1 1.6 7 35 A F S S+ 0 0 208 -2,-0.3 -1,-0.2 1,-0.1 -2,-0.1 0.925 75.8 144.7 43.0 61.2 -12.3 -24.9 3.7 8 36 A Q - 0 0 55 -3,-0.1 -1,-0.1 1,-0.1 2,-0.1 0.793 38.6-151.6 -98.4 -32.2 -10.5 -23.1 0.8 9 37 A G - 0 0 63 2,-0.0 2,-0.2 377,-0.0 -1,-0.1 -0.316 53.8 -9.9 80.4-175.8 -11.8 -19.5 1.1 10 38 A I - 0 0 27 -2,-0.1 2,-0.3 1,-0.1 376,-0.1 -0.367 65.1-150.3 -68.3 124.3 -12.1 -17.1 -1.9 11 39 A A - 0 0 39 -2,-0.2 2,-0.4 374,-0.1 374,-0.3 -0.703 9.7-163.9 -87.6 140.2 -10.4 -18.4 -5.1 12 40 A I + 0 0 2 372,-2.6 374,-0.1 -2,-0.3 423,-0.1 -0.999 11.7 172.2-130.1 128.9 -9.1 -15.8 -7.5 13 41 A N > - 0 0 56 -2,-0.4 3,-1.3 372,-0.1 4,-0.3 -0.913 43.6-110.7-131.2 161.6 -8.2 -16.5 -11.2 14 42 A P G > S+ 0 0 18 0, 0.0 3,-1.9 0, 0.0 4,-0.3 0.805 109.1 71.9 -65.0 -26.1 -7.1 -14.3 -14.2 15 43 A G G > S+ 0 0 8 1,-0.3 3,-1.5 2,-0.2 62,-0.1 0.800 85.0 68.6 -53.1 -32.1 -10.4 -14.9 -16.0 16 44 A M G < S+ 0 0 40 -3,-1.3 -1,-0.3 1,-0.3 420,-0.1 0.691 90.8 61.6 -65.1 -19.1 -12.2 -12.7 -13.4 17 45 A Y G < S+ 0 0 3 -3,-1.9 2,-0.8 -4,-0.3 -1,-0.3 0.538 80.4 93.7 -87.5 -3.2 -10.4 -9.6 -14.8 18 46 A V < - 0 0 7 -3,-1.5 2,-0.3 -4,-0.3 70,-0.2 -0.800 58.3-179.8 -89.1 108.1 -11.9 -10.0 -18.3 19 47 A R - 0 0 44 -2,-0.8 70,-1.5 68,-0.3 2,-0.9 -0.780 36.9-112.7-106.8 149.0 -15.1 -7.8 -18.3 20 48 A K E -a 89 0A 89 -2,-0.3 2,-0.5 68,-0.1 70,-0.2 -0.778 40.5-139.2 -79.8 107.5 -17.5 -7.2 -21.2 21 49 A K E -a 90 0A 64 68,-3.2 70,-0.8 -2,-0.9 4,-0.1 -0.634 18.9-167.2 -78.5 121.2 -16.8 -3.6 -21.9 22 50 A E + 0 0 105 -2,-0.5 -1,-0.1 68,-0.1 3,-0.1 0.646 61.7 94.3 -79.8 -17.6 -19.9 -1.5 -22.6 23 51 A G S S- 0 0 45 1,-0.1 2,-0.4 2,-0.1 68,-0.3 -0.110 91.4 -87.1 -69.3 168.6 -17.8 1.4 -23.9 24 52 A K > - 0 0 63 1,-0.1 3,-1.7 66,-0.1 4,-0.4 -0.680 29.9-139.5 -80.3 129.7 -17.0 2.1 -27.6 25 53 A I G >> S+ 0 0 29 -2,-0.4 3,-2.4 1,-0.3 4,-2.1 0.910 99.7 63.7 -56.7 -44.1 -13.7 0.2 -28.6 26 54 A G G 34 S+ 0 0 43 1,-0.3 -1,-0.3 2,-0.2 5,-0.0 0.575 96.8 58.7 -55.3 -15.0 -12.5 3.3 -30.6 27 55 A E G <4 S+ 0 0 149 -3,-1.7 -1,-0.3 1,-0.1 -2,-0.2 0.607 113.9 35.4 -90.1 -17.1 -12.3 5.3 -27.4 28 56 A S T <4 S+ 0 0 51 -3,-2.4 20,-2.8 -4,-0.4 21,-0.5 0.674 125.7 25.5-104.3 -27.4 -9.9 2.9 -25.8 29 57 A Y E < -B 47 0A 11 -4,-2.1 2,-0.3 18,-0.3 18,-0.2 -0.940 58.2-150.4-135.7 156.4 -7.8 1.9 -28.9 30 58 A F E -B 46 0A 81 16,-2.2 16,-2.7 -2,-0.3 2,-0.1 -0.974 32.0-105.4-124.4 147.8 -6.7 3.1 -32.3 31 59 A K E +B 45 0A 152 -2,-0.3 14,-0.2 14,-0.2 3,-0.1 -0.408 32.9 172.3 -66.9 137.9 -5.9 0.9 -35.4 32 60 A V E - 0 0 63 12,-2.7 2,-0.3 1,-0.4 13,-0.2 0.715 65.5 -33.6-105.5 -56.3 -2.2 0.5 -36.4 33 61 A R E -B 44 0A 124 11,-1.5 11,-3.0 0, 0.0 2,-0.4 -0.975 60.7 -93.8-159.6 167.1 -2.6 -2.1 -39.1 34 62 A K E -B 43 0A 81 -2,-0.3 9,-0.3 9,-0.2 3,-0.1 -0.740 27.0-170.0 -85.6 129.7 -4.6 -5.1 -40.3 35 63 A L E - 0 0 71 7,-3.0 2,-0.3 -2,-0.4 8,-0.2 0.740 57.4 -53.3 -93.2 -25.3 -3.0 -8.4 -39.3 36 64 A G E B 42 0A 33 6,-1.5 6,-2.1 0, 0.0 -1,-0.3 -0.974 360.0 360.0 172.9 176.0 -5.2 -10.6 -41.4 37 65 A S 0 0 117 -2,-0.3 4,-0.3 4,-0.2 -3,-0.0 -0.347 360.0 360.0 65.2 360.0 -8.5 -12.0 -42.7 38 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 39 68 A Y 0 0 129 0, 0.0 21,-2.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -52.7 -15.5 -14.4 -40.1 40 69 A G E - C 0 59A 30 19,-0.2 2,-0.3 55,-0.0 19,-0.2 -0.991 360.0 -48.7 144.6-137.7 -13.9 -10.9 -39.8 41 70 A E E - C 0 58A 81 17,-2.3 17,-3.5 -2,-0.3 2,-0.5 -0.963 21.6-142.2-142.5 152.4 -10.5 -9.3 -39.2 42 71 A V E -BC 36 57A 41 -6,-2.1 -7,-3.0 -2,-0.3 -6,-1.5 -0.994 29.4-171.3-117.7 126.1 -7.5 -9.3 -36.8 43 72 A L E -BC 34 56A 9 13,-2.3 13,-3.1 -2,-0.5 2,-0.6 -0.928 25.4-133.5-118.0 141.0 -6.1 -5.7 -36.2 44 73 A L E +BC 33 55A 0 -11,-3.0 -12,-2.7 -2,-0.3 -11,-1.5 -0.858 40.8 178.7 -87.8 122.9 -3.0 -4.5 -34.4 45 74 A C E -BC 31 54A 7 9,-2.9 9,-2.3 -2,-0.6 2,-0.4 -0.851 23.5-135.4-128.4 160.8 -4.2 -1.7 -32.2 46 75 A K E -BC 30 53A 61 -16,-2.7 -16,-2.2 -2,-0.3 2,-0.3 -0.957 25.2-114.7-121.7 136.9 -2.6 0.6 -29.7 47 76 A E E > -B 29 0A 25 5,-2.8 4,-1.4 -2,-0.4 -18,-0.3 -0.522 15.7-144.2 -68.6 125.0 -4.1 1.5 -26.3 48 77 A K T 4 S+ 0 0 103 -20,-2.8 2,-0.6 -2,-0.3 -1,-0.2 0.883 96.6 51.0 -57.8 -34.3 -5.0 5.3 -26.3 49 78 A N T 4 S- 0 0 99 -21,-0.5 3,-0.3 1,-0.1 -1,-0.2 -0.926 132.8 -1.1-105.1 111.8 -3.8 5.2 -22.6 50 79 A G T 4 S- 0 0 46 -2,-0.6 -2,-0.1 1,-0.2 -1,-0.1 -0.022 91.6-122.4 100.7 -27.7 -0.3 3.7 -22.3 51 80 A H < + 0 0 97 -4,-1.4 -1,-0.2 1,-0.2 2,-0.1 0.710 53.9 158.0 57.7 27.2 0.1 2.9 -26.0 52 81 A S - 0 0 52 -3,-0.3 -5,-2.8 -6,-0.1 2,-0.3 -0.458 41.8-115.4 -68.3 150.1 0.6 -0.8 -25.4 53 82 A E E +C 46 0A 75 -7,-0.2 49,-0.5 -2,-0.1 2,-0.3 -0.743 34.8 178.7 -97.5 143.9 -0.1 -3.0 -28.5 54 83 A K E -CD 45 101A 18 -9,-2.3 -9,-2.9 -2,-0.3 2,-0.7 -0.970 30.2-127.1-140.5 149.2 -2.9 -5.5 -28.7 55 84 A A E -CD 44 100A 9 45,-2.6 45,-2.8 -2,-0.3 2,-0.7 -0.903 28.5-161.5 -98.1 114.4 -4.3 -7.9 -31.4 56 85 A I E -CD 43 99A 3 -13,-3.1 -13,-2.3 -2,-0.7 2,-0.7 -0.862 6.5-151.1-103.0 112.7 -8.0 -7.2 -31.6 57 86 A K E -CD 42 98A 50 41,-2.7 41,-2.7 -2,-0.7 2,-0.7 -0.742 10.4-157.5 -84.7 114.0 -10.0 -10.0 -33.2 58 87 A V E -CD 41 97A 15 -17,-3.5 -17,-2.3 -2,-0.7 2,-0.6 -0.873 9.5-165.3 -97.8 109.1 -13.0 -8.3 -34.9 59 88 A I E -CD 40 96A 20 37,-3.2 37,-2.0 -2,-0.7 -19,-0.2 -0.889 13.9-133.3-107.0 120.0 -15.7 -11.0 -35.3 60 89 A K E D 0 95A 56 -21,-2.7 35,-0.2 -2,-0.6 34,-0.1 -0.452 360.0 360.0 -68.9 134.5 -18.7 -10.2 -37.6 61 90 A K 0 0 95 33,-2.5 3,-0.2 -2,-0.2 -1,-0.1 0.721 360.0 360.0 -83.0 360.0 -22.2 -11.0 -36.3 62 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 63 107 A K > 0 0 132 0, 0.0 3,-1.0 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 -64.6 -27.7 -17.7 -32.5 64 108 A F T >> + 0 0 59 1,-0.2 4,-1.3 2,-0.2 3,-0.6 0.610 360.0 80.6 -74.2 -13.7 -23.9 -17.5 -33.6 65 109 A H H 3> S+ 0 0 64 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.646 81.9 64.4 -67.1 -18.9 -23.4 -15.5 -30.3 66 110 A E H <> S+ 0 0 71 -3,-1.0 4,-1.7 2,-0.2 -1,-0.2 0.901 102.3 47.7 -67.0 -43.0 -23.4 -18.9 -28.6 67 111 A E H <> S+ 0 0 66 -3,-0.6 4,-1.7 -4,-0.3 -2,-0.2 0.824 113.6 47.2 -67.0 -36.4 -20.2 -19.9 -30.5 68 112 A I H X S+ 0 0 24 -4,-1.3 4,-2.7 2,-0.2 -2,-0.2 0.929 110.2 51.3 -73.2 -46.2 -18.5 -16.5 -29.6 69 113 A Y H X S+ 0 0 111 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.852 109.7 51.7 -61.8 -32.9 -19.5 -16.7 -25.9 70 114 A N H X S+ 0 0 48 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.932 109.3 48.5 -65.9 -48.5 -18.0 -20.3 -25.8 71 115 A E H X S+ 0 0 18 -4,-1.7 4,-3.0 2,-0.2 -2,-0.2 0.921 111.6 51.3 -55.4 -45.9 -14.7 -19.1 -27.4 72 116 A I H X S+ 0 0 11 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.914 110.7 48.0 -58.8 -42.0 -14.6 -16.2 -24.8 73 117 A S H X S+ 0 0 62 -4,-2.0 4,-0.9 1,-0.2 -1,-0.2 0.826 113.0 47.9 -70.8 -36.0 -15.2 -18.6 -21.9 74 118 A L H >< S+ 0 0 3 -4,-2.3 3,-0.6 2,-0.2 4,-0.4 0.949 114.5 46.0 -62.9 -53.8 -12.4 -20.9 -23.2 75 119 A L H >< S+ 0 0 7 -4,-3.0 3,-1.4 1,-0.2 11,-0.4 0.858 105.8 59.5 -58.0 -44.6 -10.0 -18.0 -23.7 76 120 A K H 3< S+ 0 0 79 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.829 104.5 51.5 -51.1 -40.3 -10.7 -16.4 -20.3 77 121 A S T << S+ 0 0 52 -4,-0.9 2,-0.5 -3,-0.6 -1,-0.3 0.574 85.0 110.3 -78.3 -10.9 -9.6 -19.6 -18.6 78 122 A L < + 0 0 7 -3,-1.4 8,-0.3 -4,-0.4 2,-0.3 -0.561 28.9 155.6 -80.0 120.5 -6.2 -19.8 -20.4 79 123 A D + 0 0 12 -2,-0.5 313,-0.5 6,-0.1 5,-0.1 -0.801 27.0 115.6-142.2 91.2 -3.0 -19.2 -18.3 80 124 A H > - 0 0 5 3,-0.4 3,-1.8 -2,-0.3 266,-0.1 -0.959 67.4-117.6-157.2 142.7 0.1 -20.8 -19.8 81 125 A P T 3 S+ 0 0 2 0, 0.0 252,-0.0 0, 0.0 48,-0.0 0.676 114.7 42.9 -55.4 -26.7 3.4 -19.5 -21.2 82 126 A N T 3 S+ 0 0 3 47,-0.1 83,-2.8 82,-0.1 2,-0.4 0.015 101.8 81.8-112.0 26.0 2.7 -21.0 -24.7 83 127 A I B < S-f 165 0B 4 -3,-1.8 -3,-0.4 81,-0.3 83,-0.2 -0.992 86.4 -97.7-133.4 139.8 -1.0 -20.1 -25.0 84 128 A I - 0 0 16 81,-2.5 2,-0.4 -2,-0.4 -4,-0.1 -0.125 34.4-136.3 -51.3 144.5 -2.6 -16.8 -26.1 85 129 A K - 0 0 15 16,-0.1 16,-1.7 -6,-0.1 2,-0.4 -0.905 9.7-146.6-108.5 132.2 -3.7 -14.4 -23.3 86 130 A L E + E 0 100A 0 -11,-0.4 14,-0.2 -2,-0.4 3,-0.1 -0.899 18.3 175.5 -99.6 135.3 -7.2 -12.6 -23.5 87 131 A F E - 0 0 20 12,-3.5 -68,-0.3 -2,-0.4 2,-0.3 0.819 56.1 -16.8-104.5 -45.8 -7.5 -9.1 -22.0 88 132 A D E - E 0 99A 26 11,-1.1 11,-3.1 -70,-0.2 2,-0.4 -0.984 47.9-134.8-160.9 162.8 -11.0 -7.8 -22.7 89 133 A V E -aE 20 98A 9 -70,-1.5 -68,-3.2 -2,-0.3 2,-0.3 -0.997 17.6-174.8-131.5 131.1 -14.1 -8.1 -24.8 90 134 A F E -aE 21 97A 8 7,-2.3 7,-3.2 -2,-0.4 2,-0.3 -0.870 5.2-163.5-118.4 158.5 -16.0 -5.3 -26.5 91 135 A E E + E 0 96A 77 -70,-0.8 5,-0.2 -68,-0.3 2,-0.2 -0.998 13.0 163.3-144.5 137.0 -19.3 -5.5 -28.3 92 136 A D - 0 0 67 3,-2.6 -69,-0.0 -2,-0.3 -68,-0.0 -0.647 55.4 -70.6-134.4-166.8 -21.2 -3.2 -30.8 93 137 A K S S+ 0 0 100 -2,-0.2 3,-0.0 1,-0.2 -32,-0.0 0.903 126.6 14.2 -59.2 -47.5 -24.0 -3.4 -33.4 94 138 A K S S+ 0 0 47 -33,-0.1 -33,-2.5 1,-0.1 2,-0.3 0.581 122.5 48.1-107.7 -12.4 -22.2 -5.5 -36.0 95 139 A Y E -D 60 0A 101 -35,-0.2 -3,-2.6 -34,-0.1 2,-0.4 -0.911 52.4-147.7-135.2 157.7 -19.1 -6.9 -34.2 96 140 A F E -DE 59 91A 2 -37,-2.0 -37,-3.2 -2,-0.3 2,-0.5 -0.934 25.4-151.6-107.2 142.9 -17.6 -8.6 -31.2 97 141 A Y E -DE 58 90A 28 -7,-3.2 -7,-2.3 -2,-0.4 2,-0.6 -0.975 6.7-164.4-121.0 119.8 -14.0 -7.5 -30.3 98 142 A L E -DE 57 89A 2 -41,-2.7 -41,-2.7 -2,-0.5 2,-0.9 -0.911 11.4-150.5-105.3 114.0 -11.6 -9.8 -28.6 99 143 A V E +DE 56 88A 0 -11,-3.1 -12,-3.5 -2,-0.6 -11,-1.1 -0.794 29.4 167.9 -89.3 106.7 -8.6 -8.0 -27.1 100 144 A T E -DE 55 86A 14 -45,-2.8 -45,-2.6 -2,-0.9 2,-0.2 -0.706 41.6 -85.1-117.2 166.0 -5.6 -10.5 -27.1 101 145 A E E -D 54 0A 14 -16,-1.7 2,-0.4 -2,-0.2 -47,-0.2 -0.530 45.3-127.0 -72.7 133.3 -1.8 -10.3 -26.6 102 146 A F - 0 0 23 -49,-0.5 2,-0.5 -2,-0.2 -49,-0.1 -0.688 17.6-162.1 -84.8 130.3 0.1 -9.4 -29.8 103 147 A Y > - 0 0 12 -2,-0.4 3,-0.5 1,-0.1 52,-0.2 -0.975 1.5-167.1-113.9 119.5 2.9 -11.7 -31.0 104 148 A E T 3 S+ 0 0 86 51,-1.2 52,-0.2 -2,-0.5 51,-0.2 0.602 70.9 79.0 -84.2 -14.2 5.2 -9.9 -33.5 105 149 A G T 3 S- 0 0 9 49,-1.7 53,-0.4 50,-0.2 -1,-0.2 0.441 89.1-136.0 -76.9 -3.0 7.2 -13.0 -34.8 106 150 A G < - 0 0 27 -3,-0.5 48,-2.7 48,-0.4 -1,-0.2 -0.055 41.0 -30.7 72.5-177.5 4.5 -14.2 -37.2 107 151 A E B >> -G 153 0B 58 46,-0.2 4,-1.2 1,-0.1 3,-0.8 -0.342 44.1-126.8 -75.2 150.1 3.2 -17.8 -37.8 108 152 A L H 3> S+ 0 0 0 44,-3.0 4,-1.6 41,-1.0 3,-0.3 0.866 111.8 66.5 -57.4 -38.9 5.3 -21.0 -37.4 109 153 A F H 3> S+ 0 0 70 40,-1.5 4,-1.8 43,-0.3 -1,-0.2 0.825 96.1 53.4 -49.6 -40.5 4.0 -21.7 -41.0 110 154 A E H <> S+ 0 0 78 -3,-0.8 4,-2.1 1,-0.2 -1,-0.2 0.880 106.0 53.0 -68.0 -37.7 6.0 -18.7 -42.3 111 155 A Q H X S+ 0 0 12 -4,-1.2 4,-2.0 -3,-0.3 -1,-0.2 0.840 107.4 52.1 -62.3 -34.3 9.1 -20.2 -40.7 112 156 A I H X S+ 0 0 21 -4,-1.6 4,-1.1 2,-0.2 -2,-0.2 0.886 108.8 50.5 -69.1 -37.3 8.4 -23.5 -42.5 113 157 A I H < S+ 0 0 96 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.921 115.9 42.2 -64.4 -43.8 8.1 -21.5 -45.8 114 158 A N H < S+ 0 0 115 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.798 125.3 27.5 -74.1 -42.0 11.5 -19.8 -45.3 115 159 A R H < S- 0 0 97 -4,-2.0 2,-2.8 -5,-0.2 -1,-0.2 0.365 82.9-148.7-112.6 7.2 13.7 -22.5 -43.9 116 160 A H S < S+ 0 0 138 -4,-1.1 2,-0.3 -5,-0.1 -1,-0.1 -0.309 72.2 11.6 58.9 -62.5 12.1 -25.6 -45.5 117 161 A K - 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0 0 30 0, 0.0 3,-0.2 0, 0.0 -9,-0.1 -0.414 21.9-130.2 -78.0 152.5 3.2 -33.7 -44.5 221 265 A P S S+ 0 0 15 0, 0.0 2,-0.7 0, 0.0 19,-0.3 0.825 105.8 44.4 -68.7 -31.0 2.9 -37.4 -43.9 222 266 A F S S- 0 0 1 -34,-0.2 12,-0.1 17,-0.1 17,-0.1 -0.888 91.2-177.6-113.7 92.1 -0.6 -37.6 -45.5 223 267 A G + 0 0 20 -2,-0.7 10,-0.3 -3,-0.2 2,-0.2 -0.010 23.0 121.1 -89.1-170.0 -0.1 -35.5 -48.7 224 268 A G - 0 0 18 1,-0.1 3,-0.1 9,-0.1 -2,-0.0 -0.671 56.9-112.4 132.3 170.2 -2.2 -34.3 -51.6 225 269 A Q S S+ 0 0 179 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.309 94.5 45.5-121.8 6.8 -3.1 -30.9 -53.0 226 270 A N S > S- 0 0 61 1,-0.1 4,-2.2 -3,-0.1 3,-0.3 -0.974 86.7-111.8-143.8 152.9 -6.9 -30.9 -52.2 227 271 A D H > S+ 0 0 96 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.865 115.3 58.2 -50.0 -42.8 -8.8 -31.8 -49.1 228 272 A Q H > S+ 0 0 133 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.927 109.6 41.5 -56.6 -53.2 -10.4 -34.8 -50.9 229 273 A D H > S+ 0 0 76 -3,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.912 116.9 48.1 -60.8 -46.5 -7.0 -36.4 -51.7 230 274 A I H X S+ 0 0 5 -4,-2.2 4,-2.6 1,-0.2 3,-0.3 0.950 109.6 52.7 -62.2 -51.5 -5.5 -35.7 -48.3 231 275 A I H X S+ 0 0 25 -4,-3.1 4,-2.7 1,-0.2 -1,-0.2 0.851 105.8 55.2 -51.9 -40.6 -8.6 -37.0 -46.4 232 276 A K H X S+ 0 0 76 -4,-1.7 4,-1.7 -5,-0.2 -1,-0.2 0.931 111.2 43.6 -61.4 -46.0 -8.3 -40.3 -48.4 233 277 A K H X S+ 0 0 91 -4,-1.7 4,-1.9 -10,-0.3 5,-0.4 0.880 113.1 52.1 -66.8 -38.4 -4.7 -40.8 -47.2 234 278 A V H < S+ 0 0 0 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.946 108.1 51.8 -62.5 -46.8 -5.6 -39.7 -43.6 235 279 A E H < S+ 0 0 93 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.889 108.5 50.1 -54.0 -47.3 -8.5 -42.3 -43.4 236 280 A K H < S- 0 0 81 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.870 96.5-151.6 -63.3 -38.7 -6.2 -45.1 -44.6 237 281 A G < + 0 0 13 -4,-1.9 2,-0.3 1,-0.3 -3,-0.1 0.408 45.5 131.8 88.0 -2.5 -3.7 -44.0 -41.9 238 282 A K + 0 0 55 -5,-0.4 2,-0.3 25,-0.0 -1,-0.3 -0.689 23.1 160.8 -92.5 137.9 -0.5 -45.2 -43.6 239 283 A Y - 0 0 41 -2,-0.3 2,-0.3 -17,-0.1 -17,-0.1 -0.937 20.4-144.7-148.5 165.1 2.6 -43.0 -43.9 240 284 A Y - 0 0 176 -19,-0.3 2,-0.9 -2,-0.3 -2,-0.0 -0.943 18.4-131.2-139.8 150.3 6.3 -43.5 -44.6 241 285 A F - 0 0 47 -2,-0.3 5,-0.1 5,-0.0 13,-0.0 -0.863 37.8-135.4 -99.3 90.9 9.7 -42.2 -43.6 242 286 A D > - 0 0 76 -2,-0.9 4,-2.5 1,-0.1 5,-0.2 -0.326 14.1-130.3 -48.8 125.2 11.2 -41.8 -47.1 243 287 A F H > S+ 0 0 148 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.866 100.9 45.2 -52.5 -50.5 14.7 -43.2 -46.8 244 288 A N H 4 S+ 0 0 103 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.892 117.6 44.5 -67.6 -37.4 16.7 -40.3 -48.3 245 289 A D H 4 S+ 0 0 64 1,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.838 126.0 30.7 -73.8 -29.8 14.8 -37.6 -46.4 246 290 A W H >< S+ 0 0 1 -4,-2.5 3,-1.6 1,-0.1 -2,-0.2 0.407 84.8 100.5-110.5 1.8 14.9 -39.5 -43.0 247 291 A K T 3< S+ 0 0 91 -4,-1.6 -1,-0.1 1,-0.3 -3,-0.1 0.845 91.0 42.2 -63.0 -31.0 18.1 -41.5 -43.0 248 292 A N T 3 S+ 0 0 144 -4,-0.3 2,-0.4 -3,-0.2 -1,-0.3 0.356 91.8 100.6 -97.6 6.9 19.9 -38.9 -40.9 249 293 A I S < S- 0 0 20 -3,-1.6 5,-0.1 1,-0.1 -3,-0.0 -0.770 82.6-102.4 -91.5 136.9 17.0 -38.3 -38.4 250 294 A S > - 0 0 21 -2,-0.4 4,-1.6 1,-0.1 3,-0.2 -0.113 16.4-123.6 -60.4 151.1 17.3 -40.1 -35.1 251 295 A D H > S+ 0 0 113 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.812 111.9 61.0 -57.2 -37.1 15.4 -43.3 -34.3 252 296 A E H > S+ 0 0 70 2,-0.2 4,-2.2 1,-0.2 27,-0.3 0.902 103.5 49.2 -59.7 -46.0 14.0 -41.5 -31.2 253 297 A A H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.915 113.0 46.5 -60.1 -45.6 12.3 -38.8 -33.4 254 298 A K H X S+ 0 0 31 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.887 110.8 53.4 -67.6 -36.2 10.8 -41.4 -35.6 255 299 A E H X S+ 0 0 69 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.886 108.5 48.4 -64.8 -43.1 9.6 -43.4 -32.6 256 300 A L H X S+ 0 0 3 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.932 110.8 51.6 -61.7 -46.8 7.8 -40.4 -31.1 257 301 A I H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.917 108.4 51.6 -55.8 -45.8 6.1 -39.7 -34.4 258 302 A K H < S+ 0 0 100 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.864 111.6 47.4 -57.8 -41.2 4.9 -43.3 -34.6 259 303 A L H >< S+ 0 0 79 -4,-1.7 3,-1.4 1,-0.2 10,-0.7 0.930 113.5 46.3 -63.4 -49.4 3.5 -43.0 -31.1 260 304 A M H 3< S+ 0 0 0 -4,-2.7 -51,-0.3 1,-0.3 -2,-0.2 0.783 116.2 46.6 -69.3 -26.8 1.7 -39.6 -31.9 261 305 A L T 3< S+ 0 0 5 -4,-2.1 2,-0.3 -5,-0.2 -1,-0.3 0.085 75.4 140.6-103.9 20.6 0.4 -41.0 -35.2 262 306 A T < - 0 0 41 -3,-1.4 6,-0.2 1,-0.2 -3,-0.1 -0.524 50.4-142.0 -61.6 122.6 -0.8 -44.3 -33.7 263 307 A Y S S+ 0 0 89 -2,-0.3 2,-0.6 -26,-0.1 -70,-0.2 0.900 85.1 75.2 -58.6 -45.5 -4.1 -44.9 -35.6 264 308 A D S >> S- 0 0 69 1,-0.2 4,-1.2 2,-0.1 3,-0.7 -0.604 73.5-155.7 -72.7 114.3 -6.0 -46.3 -32.5 265 309 A Y T 34 S+ 0 0 36 -2,-0.6 -1,-0.2 1,-0.2 -3,-0.1 0.764 90.3 58.5 -69.9 -24.3 -6.7 -43.1 -30.4 266 310 A N T 34 S+ 0 0 105 1,-0.2 -1,-0.2 -3,-0.0 -2,-0.1 0.794 112.5 40.2 -68.3 -32.2 -7.0 -45.1 -27.2 267 311 A K T <4 S+ 0 0 163 -3,-0.7 -2,-0.2 2,-0.1 -1,-0.2 0.591 92.7 105.6 -93.2 -14.0 -3.4 -46.5 -27.7 268 312 A R S < S- 0 0 2 -4,-1.2 -8,-0.2 -6,-0.2 -9,-0.1 -0.431 82.5-101.3 -62.6 140.7 -2.0 -43.1 -29.0 269 313 A C - 0 0 4 -10,-0.7 2,-0.1 1,-0.1 -1,-0.1 -0.214 31.0-117.0 -60.4 153.9 0.2 -41.4 -26.4 270 314 A T > - 0 0 44 1,-0.1 4,-2.6 -3,-0.1 5,-0.2 -0.449 31.0-106.7 -77.5 165.2 -1.2 -38.6 -24.2 271 315 A A H > S+ 0 0 3 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.925 124.4 55.5 -59.6 -39.9 0.5 -35.2 -24.6 272 316 A E H > S+ 0 0 75 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.935 108.1 46.9 -58.8 -47.8 2.1 -35.9 -21.2 273 317 A E H >4 S+ 0 0 110 1,-0.2 3,-0.9 2,-0.2 -1,-0.2 0.896 108.7 54.8 -58.9 -42.6 3.5 -39.1 -22.5 274 318 A A H >< S+ 0 0 0 -4,-2.6 3,-1.5 1,-0.3 6,-0.4 0.908 106.9 51.9 -56.7 -42.7 4.8 -37.4 -25.6 275 319 A L H 3< S+ 0 0 22 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.695 107.7 52.8 -64.9 -22.9 6.6 -34.9 -23.3 276 320 A N T << S+ 0 0 131 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.128 85.2 120.8 -98.9 12.6 8.2 -37.9 -21.4 277 321 A S S <> S- 0 0 17 -3,-1.5 4,-3.0 1,-0.1 5,-0.2 -0.415 76.4-114.8 -73.7 156.8 9.6 -39.5 -24.6 278 322 A R H > S+ 0 0 208 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.884 115.7 53.8 -54.0 -43.5 13.3 -40.1 -25.1 279 323 A W H > S+ 0 0 1 -27,-0.3 4,-0.8 2,-0.2 -1,-0.2 0.925 113.0 40.5 -62.8 -47.9 13.4 -37.5 -27.9 280 324 A I H >4 S+ 0 0 14 -6,-0.4 3,-1.2 1,-0.2 -2,-0.2 0.964 115.6 51.3 -65.9 -48.0 11.8 -34.7 -25.9 281 325 A K H >< S+ 0 0 64 -4,-3.0 3,-2.2 1,-0.3 -2,-0.2 0.880 101.9 63.9 -55.5 -38.3 13.8 -35.6 -22.8 282 326 A K H 3< S+ 0 0 106 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.790 106.3 42.1 -56.2 -35.5 17.1 -35.6 -24.9 283 327 A Y T << S+ 0 0 71 -3,-1.2 -1,-0.3 -4,-0.8 -2,-0.2 0.171 86.6 154.4-102.6 20.7 16.6 -31.8 -25.6 284 328 A A < - 0 0 57 -3,-2.2 2,-0.5 -4,-0.1 -3,-0.1 -0.042 32.7-154.8 -45.9 139.3 15.6 -31.0 -22.0 285 329 A N + 0 0 85 52,-0.1 2,-0.2 -160,-0.0 -1,-0.1 -0.942 27.9 165.4-123.3 99.9 16.3 -27.4 -20.8 286 330 A N - 0 0 75 -2,-0.5 2,-0.2 1,-0.1 53,-0.1 -0.653 45.4 -71.6-112.2 170.9 16.7 -27.5 -17.0 287 331 A I + 0 0 31 51,-0.3 2,-0.2 -2,-0.2 -1,-0.1 -0.460 56.9 169.6 -63.7 127.6 18.0 -25.0 -14.4 288 332 A N > - 0 0 86 -2,-0.2 3,-2.6 -3,-0.0 4,-0.3 -0.794 53.9 -80.0-126.6 177.1 21.8 -24.7 -14.5 289 333 A K G > S+ 0 0 68 1,-0.3 3,-1.2 -2,-0.2 4,-0.2 0.735 124.0 66.9 -50.2 -29.5 24.3 -22.4 -12.8 290 334 A S G 3 S+ 0 0 93 1,-0.2 3,-0.4 2,-0.1 -1,-0.3 0.781 98.6 52.5 -60.9 -29.0 23.6 -19.7 -15.4 291 335 A D G <> S+ 0 0 12 -3,-2.6 4,-3.0 1,-0.2 5,-0.3 0.402 77.5 104.4 -89.1 -1.2 20.0 -19.3 -14.0 292 336 A Q H <> S+ 0 0 80 -3,-1.2 4,-2.4 -4,-0.3 -1,-0.2 0.800 77.7 49.4 -52.6 -39.7 21.0 -18.8 -10.4 293 337 A K H > S+ 0 0 106 -3,-0.4 4,-2.5 -4,-0.2 -1,-0.2 0.950 117.3 38.1 -72.5 -46.9 20.4 -15.0 -10.3 294 338 A T H > S+ 0 0 47 -4,-0.2 4,-3.1 2,-0.2 5,-0.2 0.918 117.9 51.7 -70.8 -38.8 16.9 -15.1 -11.7 295 339 A L H X S+ 0 0 0 -4,-3.0 4,-2.9 2,-0.2 5,-0.3 0.920 111.5 48.0 -57.9 -45.6 16.1 -18.3 -9.8 296 340 A C H X S+ 0 0 54 -4,-2.4 4,-2.5 -5,-0.3 5,-0.3 0.953 114.6 44.1 -61.1 -52.7 17.3 -16.6 -6.6 297 341 A G H X S+ 0 0 31 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.946 116.9 47.7 -55.9 -52.0 15.2 -13.4 -7.2 298 342 A A H X S+ 0 0 2 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.955 118.1 38.1 -53.7 -58.6 12.1 -15.5 -8.2 299 343 A L H X S+ 0 0 1 -4,-2.9 4,-2.0 -5,-0.2 -1,-0.2 0.778 114.2 54.8 -73.3 -25.4 12.2 -17.9 -5.3 300 344 A S H X S+ 0 0 36 -4,-2.5 4,-1.7 -5,-0.3 -1,-0.2 0.927 111.3 45.7 -67.6 -47.9 13.3 -15.3 -2.7 301 345 A N H X S+ 0 0 47 -4,-2.7 4,-1.1 -5,-0.3 -2,-0.2 0.927 113.6 49.6 -59.9 -44.2 10.2 -13.2 -3.8 302 346 A M H < S+ 0 0 1 -4,-2.5 3,-0.4 1,-0.2 -1,-0.2 0.894 109.3 51.5 -58.9 -45.3 8.0 -16.3 -3.7 303 347 A R H < S+ 0 0 105 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.858 115.0 42.7 -61.4 -35.9 9.2 -17.3 -0.2 304 348 A K H < S+ 0 0 100 -4,-1.7 -1,-0.2 94,-0.1 -2,-0.2 0.570 86.1 129.7 -89.5 -9.9 8.5 -13.7 1.1 305 349 A F < + 0 0 20 -4,-1.1 2,-0.3 -3,-0.4 76,-0.1 -0.217 24.6 167.8 -57.3 130.3 5.2 -13.3 -0.5 306 350 A E - 0 0 59 166,-0.1 76,-0.1 1,-0.0 75,-0.0 -0.984 15.9-172.2-134.0 124.1 2.2 -12.1 1.5 307 351 A G - 0 0 0 -2,-0.3 6,-0.2 1,-0.3 2,-0.1 0.578 23.5-164.8 -87.1 -10.5 -1.0 -11.0 -0.3 308 352 A S + 0 0 62 4,-0.1 -1,-0.3 5,-0.1 140,-0.1 -0.390 52.9 4.7 56.6-126.9 -2.6 -9.7 2.9 309 353 A Q S > S- 0 0 16 138,-0.2 4,-2.0 -2,-0.1 5,-0.1 -0.172 85.8 -94.4 -87.2 177.4 -6.4 -9.2 2.4 310 354 A K H > S+ 0 0 34 134,-0.3 4,-2.4 1,-0.2 5,-0.2 0.781 118.0 55.8 -70.5 -30.1 -8.5 -9.9 -0.6 311 355 A L H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.955 111.6 44.5 -66.0 -48.1 -8.4 -6.5 -2.3 312 356 A A H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.900 114.1 49.7 -58.8 -44.0 -4.5 -6.5 -2.4 313 357 A Q H X S+ 0 0 21 -4,-2.0 4,-2.3 -6,-0.2 5,-0.2 0.924 111.6 49.0 -63.5 -43.6 -4.5 -10.2 -3.6 314 358 A A H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.892 112.5 48.6 -59.1 -46.0 -6.9 -9.3 -6.4 315 359 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.911 110.4 50.4 -59.7 -49.3 -4.9 -6.3 -7.4 316 360 A I H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.926 112.2 45.7 -59.9 -52.0 -1.6 -8.2 -7.4 317 361 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.859 112.4 53.8 -62.9 -34.7 -2.9 -11.1 -9.6 318 362 A F H X>S+ 0 0 16 -4,-2.0 4,-2.6 -5,-0.2 5,-0.6 0.974 112.4 41.6 -59.7 -53.2 -4.5 -8.5 -11.9 319 363 A I H X>S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 5,-1.3 0.937 119.2 45.6 -63.4 -47.4 -1.3 -6.6 -12.5 320 364 A G H <5S+ 0 0 0 -4,-2.7 4,-0.2 -5,-0.2 -1,-0.2 0.885 119.7 38.3 -60.2 -45.3 0.8 -9.8 -12.8 321 365 A S H <5S+ 0 0 1 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.754 133.1 18.5 -83.6 -26.3 -1.6 -11.6 -15.2 322 366 A K H <5S+ 0 0 14 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.619 123.9 42.6-120.7 -20.2 -2.8 -8.7 -17.3 323 367 A L T < - 0 0 61 -2,-0.2 4,-1.9 1,-0.1 5,-0.1 -0.337 20.6-107.6 -85.4 167.5 4.7 -7.2 -20.7 326 370 A L H > S+ 0 0 34 1,-0.2 4,-0.6 2,-0.2 7,-0.2 0.895 121.5 49.8 -60.2 -40.1 6.2 -10.2 -22.5 327 371 A E H >4 S+ 0 0 121 2,-0.2 3,-0.8 1,-0.2 4,-0.4 0.894 108.0 51.7 -65.8 -43.6 9.7 -8.6 -22.0 328 372 A E H 34 S+ 0 0 60 1,-0.2 4,-0.3 2,-0.1 3,-0.3 0.875 115.9 42.9 -61.1 -36.4 9.2 -7.9 -18.3 329 373 A R H 3X S+ 0 0 2 -4,-1.9 4,-3.0 1,-0.2 5,-0.3 0.537 85.7 103.2 -83.8 -8.9 8.2 -11.5 -18.0 330 374 A K H S+ 0 0 111 -4,-0.4 4,-2.0 -3,-0.3 -1,-0.2 0.894 118.6 48.7 -73.2 -39.8 13.3 -14.3 -17.5 332 376 A L H > S+ 0 0 18 -4,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.852 109.1 53.6 -69.8 -36.6 10.6 -15.5 -15.2 333 377 A T H X S+ 0 0 6 -4,-3.0 4,-2.1 2,-0.2 -1,-0.2 0.899 109.4 49.8 -60.1 -42.1 8.8 -17.3 -18.0 334 378 A D H X S+ 0 0 34 -4,-1.7 4,-1.5 -5,-0.3 -2,-0.2 0.874 112.7 45.5 -65.5 -41.6 12.1 -19.1 -18.7 335 379 A I H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.892 109.9 56.0 -63.5 -45.1 12.5 -20.1 -15.0 336 380 A F H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.944 108.5 46.7 -54.5 -50.9 8.8 -21.2 -14.9 337 381 A K H < S+ 0 0 47 -4,-2.1 -1,-0.2 1,-0.2 6,-0.2 0.872 112.2 50.3 -59.3 -43.8 9.3 -23.6 -17.8 338 382 A K H < S+ 0 0 16 -4,-1.5 -51,-0.3 1,-0.2 -1,-0.2 0.884 111.5 47.9 -63.9 -40.8 12.6 -25.0 -16.3 339 383 A L H < S+ 0 0 8 -4,-2.6 2,-2.1 1,-0.2 -1,-0.2 0.805 93.6 82.6 -68.5 -30.1 10.9 -25.6 -12.9 340 384 A D >< + 0 0 9 -4,-2.0 3,-1.3 -5,-0.2 -1,-0.2 -0.496 61.7 174.6 -76.4 76.6 8.0 -27.3 -14.7 341 385 A K T 3 S+ 0 0 117 -2,-2.1 -1,-0.2 1,-0.3 6,-0.1 0.832 76.3 41.3 -55.3 -43.0 9.8 -30.7 -15.0 342 386 A N T 3 S- 0 0 54 4,-0.2 -1,-0.3 -3,-0.2 -67,-0.1 0.497 104.1-129.5 -87.8 -3.2 6.8 -32.6 -16.5 343 387 A G < + 0 0 14 -3,-1.3 -207,-0.3 -6,-0.2 -208,-0.2 0.688 65.7 132.5 65.3 25.1 5.8 -29.6 -18.8 344 388 A D S S- 0 0 10 2,-0.3 -1,-0.1 -209,-0.1 -205,-0.1 0.365 76.6-113.3 -86.3 6.3 2.1 -29.6 -17.8 345 389 A G S S+ 0 0 0 1,-0.2 47,-0.7 -5,-0.1 2,-0.4 0.579 87.3 94.4 71.0 14.9 2.2 -25.8 -17.3 346 390 A Q E -K 391 0E 17 45,-0.1 2,-0.6 46,-0.1 -2,-0.3 -0.991 69.4-133.6-129.4 143.7 1.7 -26.0 -13.5 347 391 A L E -K 390 0E 0 43,-3.2 43,-2.7 -2,-0.4 2,-0.2 -0.848 27.1-166.0 -93.0 122.8 4.2 -26.0 -10.7 348 392 A D > - 0 0 42 -2,-0.6 4,-2.2 41,-0.2 5,-0.2 -0.544 36.8 -98.5 -98.7 174.3 3.4 -28.8 -8.1 349 393 A K H > S+ 0 0 39 39,-0.3 4,-2.8 1,-0.2 5,-0.2 0.906 124.1 51.7 -59.2 -45.8 4.8 -29.2 -4.6 350 394 A K H > S+ 0 0 70 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.892 111.3 49.6 -58.8 -39.3 7.5 -31.8 -5.8 351 395 A E H > S+ 0 0 12 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.864 111.9 46.6 -68.9 -37.2 8.5 -29.3 -8.5 352 396 A L H X S+ 0 0 2 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.915 109.8 53.1 -71.2 -42.3 8.9 -26.4 -6.0 353 397 A I H X S+ 0 0 41 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.946 111.7 47.2 -52.8 -52.3 10.8 -28.5 -3.5 354 398 A E H X S+ 0 0 77 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.853 109.2 54.1 -59.4 -38.7 13.2 -29.4 -6.2 355 399 A G H X S+ 0 0 3 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.897 111.6 44.2 -63.0 -42.3 13.5 -25.8 -7.3 356 400 A Y H X S+ 0 0 9 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.900 112.0 52.3 -70.6 -39.3 14.4 -24.7 -3.8 357 401 A N H X S+ 0 0 34 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.966 109.0 50.4 -60.6 -47.7 16.9 -27.6 -3.3 358 402 A V H X S+ 0 0 28 -4,-2.4 4,-0.9 1,-0.2 -1,-0.2 0.890 112.1 48.4 -55.7 -41.8 18.6 -26.6 -6.6 359 403 A L H >X S+ 0 0 15 -4,-1.7 4,-1.1 1,-0.2 3,-0.6 0.910 110.4 49.4 -66.5 -43.9 18.9 -23.0 -5.5 360 404 A R H 3< S+ 0 0 135 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.828 107.4 56.7 -63.0 -34.3 20.3 -23.9 -2.0 361 405 A N H 3< S+ 0 0 115 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.711 103.1 53.7 -70.4 -24.6 22.9 -26.2 -3.7 362 406 A F H << 0 0 60 -4,-0.9 -1,-0.2 -3,-0.6 -2,-0.2 0.788 360.0 360.0 -76.1 -32.7 24.2 -23.2 -5.8 363 407 A K < 0 0 102 -4,-1.1 -3,-0.1 -3,-0.1 -2,-0.1 0.616 360.0 360.0 -85.9 360.0 24.7 -21.1 -2.6 364 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 365 410 A L 0 0 147 0, 0.0 3,-0.1 0, 0.0 -4,-0.0 0.000 360.0 360.0 360.0 97.8 25.8 -24.6 3.5 366 411 A G - 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0 0 63 2,-0.3 -1,-0.1 1,-0.1 3,-0.1 0.592 69.2-118.2 -77.0 -10.4 -17.4 6.5 -8.3 424 469 A G S S+ 0 0 33 -5,-0.2 38,-0.7 1,-0.1 2,-0.4 0.488 89.3 82.9 82.3 0.8 -13.8 6.9 -7.1 425 470 A K E S-L 461 0F 68 36,-0.2 2,-0.6 37,-0.1 -2,-0.3 -0.993 72.1-136.6-137.2 132.8 -14.4 4.4 -4.2 426 471 A I E -L 460 0F 0 34,-3.6 34,-2.3 -2,-0.4 2,-0.2 -0.786 25.8-158.9 -84.5 123.0 -14.4 0.6 -4.1 427 472 A T > - 0 0 27 -2,-0.6 4,-2.0 32,-0.2 5,-0.2 -0.517 31.6-108.0 -96.9 166.8 -17.3 -0.9 -2.2 428 473 A K H > S+ 0 0 30 30,-0.4 4,-2.2 1,-0.2 5,-0.1 0.895 121.7 52.0 -55.2 -43.6 -17.9 -4.3 -0.6 429 474 A E H > S+ 0 0 127 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.840 104.4 54.8 -68.1 -35.0 -20.2 -5.2 -3.4 430 475 A E H > S+ 0 0 13 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.893 109.2 48.4 -67.9 -37.2 -17.7 -4.2 -6.1 431 476 A L H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.933 110.7 50.0 -66.4 -44.4 -15.2 -6.6 -4.6 432 477 A A H <>S+ 0 0 3 -4,-2.2 5,-2.2 1,-0.2 4,-0.2 0.904 110.2 52.2 -59.9 -38.5 -17.8 -9.4 -4.4 433 478 A N H ><5S+ 0 0 96 -4,-2.3 3,-1.4 1,-0.2 -1,-0.2 0.911 105.6 53.9 -66.3 -40.5 -18.7 -8.8 -8.1 434 479 A L H 3<5S+ 0 0 5 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.888 110.0 47.4 -56.5 -41.9 -15.1 -9.1 -9.1 435 480 A F T 3<5S- 0 0 7 -4,-1.7 -1,-0.3 2,-0.1 -2,-0.2 0.345 115.1-116.3 -82.8 0.1 -14.8 -12.5 -7.5 436 481 A G T < 5S+ 0 0 66 -3,-1.4 2,-0.4 1,-0.2 -3,-0.2 0.726 70.9 133.2 72.4 23.4 -18.1 -13.7 -9.1 437 482 A L < - 0 0 74 -5,-2.2 -1,-0.2 -6,-0.2 -2,-0.1 -0.843 65.9-130.7-109.3 144.5 -19.9 -14.1 -5.7 438 483 A T S S- 0 0 156 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.876 92.0 -18.7 -52.6 -41.6 -23.4 -12.9 -4.8 439 484 A S - 0 0 72 -7,-0.1 2,-0.3 -8,-0.1 -1,-0.2 -0.964 59.9-131.1-158.3 167.7 -21.7 -11.4 -1.6 440 485 A I - 0 0 8 -2,-0.3 -8,-0.1 1,-0.1 -9,-0.0 -0.810 41.3 -93.5-117.4 161.4 -18.5 -11.5 0.5 441 486 A S > - 0 0 60 -2,-0.3 4,-1.5 1,-0.1 5,-0.1 -0.154 27.0-116.5 -71.2 169.7 -18.6 -11.8 4.4 442 487 A E H > S+ 0 0 117 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.883 118.5 53.7 -72.4 -38.5 -18.4 -8.8 6.8 443 488 A K H > S+ 0 0 142 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.895 104.2 54.3 -61.6 -42.0 -15.1 -10.2 8.1 444 489 A T H > S+ 0 0 26 1,-0.2 4,-1.1 2,-0.2 -134,-0.3 0.980 115.2 39.1 -58.8 -51.2 -13.6 -10.4 4.5 445 490 A W H X S+ 0 0 7 -4,-1.5 4,-2.9 1,-0.2 3,-0.3 0.872 112.8 55.9 -65.7 -35.7 -14.4 -6.7 3.8 446 491 A N H X S+ 0 0 79 -4,-2.5 4,-3.1 1,-0.3 -1,-0.2 0.860 103.4 55.2 -69.3 -32.8 -13.4 -5.6 7.4 447 492 A D H X S+ 0 0 73 -4,-2.3 4,-1.0 -3,-0.2 -1,-0.3 0.830 110.8 45.6 -64.5 -33.3 -10.0 -7.2 6.8 448 493 A V H < S+ 0 0 0 -4,-1.1 4,-0.5 -3,-0.3 3,-0.3 0.969 115.7 46.9 -68.5 -54.6 -9.6 -5.0 3.7 449 494 A L H >X S+ 0 0 13 -4,-2.9 4,-2.6 1,-0.2 3,-1.9 0.891 105.2 57.5 -54.0 -49.6 -10.9 -1.9 5.7 450 495 A G H 3< S+ 0 0 74 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.1 0.894 111.4 43.5 -52.3 -44.2 -8.7 -2.4 8.8 451 496 A E T 3< S+ 0 0 56 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.514 135.4 9.7 -76.1 -8.6 -5.5 -2.3 6.6 452 497 A A T <4 S+ 0 0 14 -3,-1.9 2,-1.5 -4,-0.5 -2,-0.2 0.628 85.1 105.1-144.4 -36.7 -6.7 0.7 4.4 453 498 A D < + 0 0 20 -4,-2.6 3,-0.5 -5,-0.2 7,-0.1 -0.459 32.9 163.6 -68.0 87.6 -9.9 2.7 5.4 454 499 A Q S S+ 0 0 85 -2,-1.5 -1,-0.2 1,-0.2 6,-0.1 0.785 75.4 44.8 -78.8 -26.8 -8.3 6.0 6.8 455 500 A N S S- 0 0 81 4,-0.2 -1,-0.2 0, 0.0 -2,-0.1 0.262 103.6-128.3-100.4 7.3 -11.5 8.1 6.6 456 501 A K + 0 0 118 -3,-0.5 -2,-0.1 1,-0.1 -3,-0.0 0.765 67.0 129.1 52.3 41.9 -13.8 5.4 8.0 457 502 A D S S- 0 0 43 2,-0.3 -1,-0.1 0, 0.0 3,-0.1 0.302 76.3-115.3-104.1 9.4 -16.5 5.4 5.3 458 503 A N S S+ 0 0 105 1,-0.2 -30,-0.4 -5,-0.1 2,-0.3 0.580 88.0 90.7 65.4 18.7 -16.5 1.6 4.7 459 504 A M S S- 0 0 58 -32,-0.1 2,-0.5 -10,-0.1 -2,-0.3 -0.848 73.9-123.8-133.5 163.9 -15.2 2.1 1.2 460 505 A I E -L 426 0F 0 -34,-2.3 -34,-3.6 -2,-0.3 2,-0.2 -0.968 23.0-166.3-120.0 118.5 -11.7 2.3 -0.4 461 506 A D E > -L 425 0F 31 -2,-0.5 4,-3.1 -36,-0.3 -36,-0.2 -0.492 38.3 -98.7 -92.7 169.8 -10.6 5.4 -2.4 462 507 A F H > S+ 0 0 40 -38,-0.7 4,-2.8 1,-0.2 5,-0.2 0.885 122.8 51.0 -58.9 -41.3 -7.6 5.6 -4.7 463 508 A D H > S+ 0 0 127 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.916 113.5 44.8 -61.3 -44.1 -5.4 7.4 -2.2 464 509 A E H > S+ 0 0 12 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.911 112.9 52.8 -65.5 -43.5 -6.3 4.7 0.4 465 510 A F H X S+ 0 0 0 -4,-3.1 4,-2.7 2,-0.2 -2,-0.2 0.930 110.8 46.5 -55.2 -47.8 -5.7 2.0 -2.2 466 511 A V H X S+ 0 0 30 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.913 112.1 49.3 -67.5 -43.5 -2.2 3.4 -3.1 467 512 A S H X S+ 0 0 55 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.941 112.7 49.1 -60.3 -46.5 -1.2 3.7 0.5 468 513 A M H X S+ 0 0 5 -4,-2.7 4,-0.9 1,-0.2 -2,-0.2 0.943 113.0 46.1 -54.5 -52.5 -2.4 0.1 1.2 469 514 A M H X S+ 0 0 0 -4,-2.7 4,-1.0 1,-0.2 3,-0.5 0.876 112.7 49.1 -64.4 -40.7 -0.5 -1.3 -1.8 470 515 A H H < S+ 0 0 91 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.816 103.9 60.8 -69.2 -28.9 2.7 0.6 -1.0 471 516 A K H < S+ 0 0 162 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.731 102.6 53.3 -66.7 -24.4 2.5 -0.6 2.7 472 517 A I H < 0 0 49 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.835 360.0 360.0 -77.0 -35.6 2.8 -4.2 1.3 473 518 A C < 0 0 93 -4,-1.0 -3,-0.1 -71,-0.1 -72,-0.0 -0.017 360.0 360.0 -35.6 360.0 6.0 -3.4 -0.8