==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 19-MAY-10 2XEY . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE CHK1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.P.MATTHEWS,T.MCHARDY,S.KLAIR,K.BOXALL,M.FISHER,M.CHERRY,C. . 252 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13138.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 162 64.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 43 17.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 19 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 70 27.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 2 0 0 1 0 1 1 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 4 3 1 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 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 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 6 A V 0 0 159 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 26.3 19.2 -0.8 34.4 2 7 A E - 0 0 92 1,-0.0 0, 0.0 0, 0.0 0, 0.0 -0.875 360.0 -77.2-127.8 157.4 16.1 -1.6 36.6 3 8 A D - 0 0 113 -2,-0.3 18,-1.6 17,-0.1 2,-0.4 -0.242 36.4-157.1 -63.1 140.2 13.7 -4.6 36.4 4 9 A W B -A 20 0A 66 16,-0.2 16,-0.2 17,-0.1 22,-0.1 -0.957 12.9-139.6-116.9 133.5 11.0 -4.8 33.7 5 10 A D - 0 0 97 14,-2.5 13,-0.1 -2,-0.4 15,-0.1 0.801 16.6-141.1 -63.9 -36.4 7.9 -6.9 34.4 6 11 A L + 0 0 81 13,-0.1 12,-0.2 21,-0.1 11,-0.1 0.978 28.9 177.0 63.6 57.2 7.2 -8.6 31.0 7 12 A V - 0 0 88 10,-0.4 2,-0.3 1,-0.2 11,-0.2 0.816 52.4 -11.2 -62.1 -41.4 3.4 -8.3 31.3 8 13 A Q B -B 17 0B 111 9,-1.4 9,-3.9 0, 0.0 2,-0.8 -0.994 62.9-107.1-162.8 156.1 2.3 -9.7 27.9 9 14 A T - 0 0 65 7,-0.4 7,-0.4 -2,-0.3 19,-0.0 -0.806 25.4-169.7 -95.9 114.4 3.4 -10.8 24.5 10 15 A L 0 0 67 -2,-0.8 6,-0.2 5,-0.5 -1,-0.2 0.901 360.0 360.0 -66.2 -46.4 2.4 -8.3 21.8 11 16 A G 0 0 85 4,-1.3 -1,-0.2 0, 0.0 5,-0.1 -0.254 360.0 360.0-141.7 360.0 3.2 -10.3 18.7 12 ! 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 13 21 A G 0 0 98 0, 0.0 2,-0.3 0, 0.0 19,-0.2 0.000 360.0 360.0 360.0 134.0 11.1 -14.7 18.0 14 22 A E E - C 0 31B 82 17,-1.9 17,-3.4 2,-0.0 2,-0.5 -0.970 360.0-142.1-141.8 155.7 8.4 -13.2 20.1 15 23 A V E - C 0 30B 35 -2,-0.3 -4,-1.3 15,-0.2 -5,-0.5 -0.980 20.7-179.9-122.0 120.8 7.4 -9.7 21.3 16 24 A Q E - C 0 29B 41 13,-2.0 13,-1.5 -2,-0.5 -7,-0.4 -0.982 29.8-116.7-123.9 133.0 6.1 -9.2 24.8 17 25 A L E -BC 8 28B 16 -9,-3.9 -9,-1.4 -2,-0.4 -10,-0.4 -0.362 32.7-158.7 -64.7 142.6 5.0 -5.8 26.3 18 26 A A E - C 0 27B 0 9,-3.4 9,-3.6 -12,-0.2 2,-0.4 -0.968 10.3-165.8-128.4 142.3 7.1 -4.7 29.2 19 27 A V E - C 0 26B 31 -2,-0.4 -14,-2.5 7,-0.3 7,-0.3 -0.991 23.9-121.5-128.3 132.2 6.4 -2.2 32.0 20 28 A N B > -A 4 0A 8 5,-3.2 4,-1.7 -2,-0.4 -16,-0.2 -0.497 10.8-147.7 -73.0 132.7 9.0 -0.7 34.4 21 29 A R T 4 S+ 0 0 162 -18,-1.6 -1,-0.1 -2,-0.2 -17,-0.1 0.880 97.3 38.1 -66.1 -40.1 8.5 -1.3 38.1 22 30 A V T 4 S+ 0 0 89 -19,-0.4 -1,-0.2 1,-0.1 -18,-0.1 0.878 136.9 16.2 -76.3 -41.3 9.9 2.0 39.3 23 31 A T T 4 S- 0 0 70 2,-0.1 -2,-0.2 0, 0.0 3,-0.1 0.621 87.4-134.3-111.3 -19.8 8.5 4.2 36.5 24 32 A E < + 0 0 151 -4,-1.7 2,-0.1 1,-0.2 -3,-0.1 0.665 48.0 155.7 71.5 16.1 5.8 2.1 34.9 25 33 A E - 0 0 122 -6,-0.1 -5,-3.2 1,-0.0 2,-0.4 -0.485 36.8-132.7 -70.5 147.7 7.0 3.0 31.4 26 34 A A E +C 19 0B 37 -7,-0.3 45,-0.5 -2,-0.1 2,-0.3 -0.875 25.8 178.9-110.4 135.9 6.0 0.4 28.8 27 35 A V E -CD 18 70B 7 -9,-3.6 -9,-3.4 -2,-0.4 2,-0.6 -0.959 28.1-128.4-134.2 152.9 8.3 -1.1 26.2 28 36 A A E -CD 17 69B 9 41,-3.3 41,-3.1 -2,-0.3 2,-0.5 -0.871 29.2-163.6 -98.9 126.8 8.1 -3.7 23.5 29 37 A V E -CD 16 68B 7 -13,-1.5 -13,-2.0 -2,-0.6 2,-0.5 -0.955 9.1-145.7-118.6 128.7 10.8 -6.2 23.9 30 38 A K E -CD 15 67B 36 37,-1.9 37,-1.3 -2,-0.5 2,-0.6 -0.784 8.3-155.3 -93.1 131.7 11.8 -8.6 21.1 31 39 A I E -CD 14 66B 33 -17,-3.4 -17,-1.9 -2,-0.5 2,-0.5 -0.935 13.9-177.5-107.2 116.4 12.9 -12.0 22.2 32 40 A V E D 0 65B 36 33,-1.6 33,-2.2 -2,-0.6 -2,-0.0 -0.963 360.0 360.0-119.1 121.9 15.2 -13.6 19.6 33 41 A D 0 0 160 -2,-0.5 31,-0.2 31,-0.2 -2,-0.0 -0.878 360.0 360.0-103.6 360.0 16.4 -17.1 20.2 34 ! 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 35 50 A E > 0 0 210 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -38.3 23.7 -12.1 11.4 36 51 A N H > + 0 0 99 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.882 360.0 50.1 -61.5 -38.9 20.2 -10.9 10.6 37 52 A I H > S+ 0 0 40 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.879 107.5 54.0 -64.1 -39.7 19.7 -9.9 14.2 38 53 A K H > S+ 0 0 126 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.876 109.3 47.6 -62.8 -41.9 23.0 -8.0 14.2 39 54 A K H X S+ 0 0 70 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.840 107.3 56.9 -65.9 -38.3 22.0 -5.9 11.1 40 55 A E H X S+ 0 0 11 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.906 110.7 43.0 -61.1 -44.3 18.6 -5.2 12.6 41 56 A I H X S+ 0 0 6 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.869 111.6 55.5 -67.7 -39.2 20.2 -3.6 15.7 42 57 A C H X S+ 0 0 80 -4,-1.8 4,-0.7 1,-0.2 -2,-0.2 0.886 111.3 43.6 -62.1 -40.9 22.7 -1.8 13.6 43 58 A I H >X S+ 0 0 9 -4,-2.3 4,-0.9 1,-0.2 3,-0.7 0.871 108.7 57.0 -73.7 -39.0 20.0 -0.2 11.6 44 59 A N H >< S+ 0 0 7 -4,-1.9 3,-0.6 1,-0.2 11,-0.3 0.847 98.4 61.3 -61.1 -34.9 17.8 0.7 14.6 45 60 A K H 3< S+ 0 0 133 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.847 103.2 53.0 -59.5 -35.9 20.7 2.6 16.1 46 61 A M H << S+ 0 0 90 -3,-0.7 2,-0.5 -4,-0.7 -1,-0.2 0.799 93.2 92.1 -63.3 -36.9 20.6 4.9 13.1 47 62 A L << + 0 0 13 -4,-0.9 8,-0.4 -3,-0.6 2,-0.3 -0.574 34.1 152.8 -87.4 121.2 16.9 5.7 13.3 48 63 A N + 0 0 118 -2,-0.5 2,-0.3 6,-0.1 5,-0.1 -0.863 25.8 123.2-138.0 106.1 15.2 8.6 15.0 49 64 A H > - 0 0 30 3,-0.4 3,-1.0 -2,-0.3 53,-0.0 -0.988 61.8-121.1-156.1 154.9 11.9 9.9 13.8 50 65 A E T 3 S+ 0 0 125 -2,-0.3 4,-0.1 1,-0.2 -1,-0.1 0.836 115.2 45.4 -64.9 -35.2 8.3 10.5 15.1 51 66 A N T 3 S+ 0 0 13 79,-0.1 80,-1.5 2,-0.1 2,-0.4 0.173 103.0 75.1 -95.7 11.9 6.9 8.1 12.5 52 67 A V B < S-f 131 0C 1 -3,-1.0 -3,-0.4 78,-0.3 80,-0.1 -0.983 94.4 -99.3-122.8 140.0 9.4 5.3 13.0 53 68 A V - 0 0 9 78,-2.0 2,-0.4 -2,-0.4 -2,-0.1 -0.301 40.8-118.4 -61.2 136.0 9.4 3.0 16.0 54 69 A K - 0 0 70 -4,-0.1 16,-2.6 -6,-0.1 2,-0.5 -0.614 19.6-151.5 -82.9 131.9 11.9 4.1 18.7 55 70 A F E +E 69 0B 34 -8,-0.4 14,-0.3 -2,-0.4 3,-0.1 -0.884 15.2 178.5-103.0 124.4 14.6 1.6 19.6 56 71 A Y E - 0 0 119 12,-4.6 2,-0.3 -2,-0.5 -1,-0.2 0.926 49.9 -52.6 -91.8 -55.9 15.9 2.0 23.1 57 72 A G E -E 68 0B 10 11,-0.5 11,-3.1 2,-0.0 2,-0.4 -0.983 37.2-121.2-169.9 174.5 18.5 -0.7 23.6 58 73 A H E -E 67 0B 67 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -1.000 11.4-166.2-135.4 141.9 19.8 -4.3 23.4 59 74 A R E -E 66 0B 98 7,-0.8 7,-1.6 -2,-0.4 2,-0.8 -0.992 17.0-142.8-121.2 128.6 21.1 -6.7 26.0 60 75 A R E +E 65 0B 197 -2,-0.4 2,-0.5 5,-0.2 5,-0.2 -0.801 29.2 175.0 -90.5 111.5 22.8 -9.9 24.9 61 76 A E E > -E 64 0B 115 3,-2.8 3,-2.1 -2,-0.8 -2,-0.1 -0.969 57.3 -44.8-122.2 126.2 21.8 -12.5 27.5 62 77 A G T 3 S- 0 0 68 -2,-0.5 0, 0.0 1,-0.3 0, 0.0 -0.394 118.4 -39.3 55.7-130.4 22.7 -16.1 27.1 63 78 A N T 3 S+ 0 0 155 2,-0.1 2,-0.3 -3,-0.0 -1,-0.3 0.420 120.5 107.4 -97.1 -4.6 22.1 -16.7 23.5 64 79 A I E < - E 0 61B 52 -3,-2.1 -3,-2.8 -31,-0.2 2,-0.4 -0.585 59.5-149.3 -81.2 134.9 18.9 -14.6 23.7 65 80 A Q E -DE 32 60B 22 -33,-2.2 -33,-1.6 -2,-0.3 2,-0.5 -0.875 6.8-153.6-106.9 132.3 18.9 -11.1 22.1 66 81 A Y E -DE 31 59B 49 -7,-1.6 -7,-0.8 -2,-0.4 2,-0.5 -0.914 8.0-170.9-111.7 124.4 16.9 -8.3 23.6 67 82 A L E -DE 30 58B 0 -37,-1.3 -37,-1.9 -2,-0.5 2,-0.7 -0.943 12.2-151.1-112.4 126.5 15.6 -5.4 21.6 68 83 A F E +DE 29 57B 20 -11,-3.1 -12,-4.6 -2,-0.5 -11,-0.5 -0.867 28.2 169.9-102.6 116.7 14.0 -2.5 23.4 69 84 A L E -DE 28 55B 26 -41,-3.1 -41,-3.3 -2,-0.7 -14,-0.2 -0.864 39.4 -87.1-130.5 156.6 11.4 -0.8 21.3 70 85 A E E -D 27 0B 21 -16,-2.6 2,-0.5 -2,-0.3 -43,-0.1 -0.256 43.1-127.1 -61.4 144.6 8.7 1.7 21.6 71 86 A Y - 0 0 66 -45,-0.5 2,-0.7 -53,-0.0 3,-0.1 -0.847 14.9-154.6 -99.3 129.8 5.4 0.3 22.6 72 87 A C > - 0 0 11 -2,-0.5 3,-0.8 1,-0.2 52,-0.2 -0.903 11.3-174.2-108.5 108.4 2.4 1.2 20.5 73 88 A S T 3 S+ 0 0 63 -2,-0.7 51,-0.2 1,-0.2 -1,-0.2 0.762 80.5 71.9 -66.9 -25.8 -0.8 1.0 22.4 74 89 A G T 3 S- 0 0 19 49,-1.5 50,-0.2 1,-0.2 -1,-0.2 0.758 90.5-149.2 -61.1 -34.4 -2.6 1.6 19.1 75 90 A G E < -G 123 0C 32 -3,-0.8 48,-3.0 48,-0.8 2,-0.3 -0.555 42.7 -29.6 89.8-160.7 -1.9 -1.8 17.7 76 91 A E E > -G 122 0C 59 46,-0.2 3,-1.9 -2,-0.2 4,-0.3 -0.744 44.9-128.3-102.5 149.4 -1.6 -2.4 14.0 77 92 A L G > S+ 0 0 1 44,-2.5 3,-1.2 41,-0.8 42,-0.2 0.681 103.7 77.2 -61.8 -17.6 -3.1 -0.4 11.2 78 93 A F G > S+ 0 0 90 40,-0.7 3,-0.9 43,-0.3 -1,-0.3 0.847 91.4 51.1 -61.7 -37.2 -4.2 -3.7 9.9 79 94 A D G < S+ 0 0 117 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.499 97.2 67.9 -81.5 -6.3 -7.0 -3.8 12.5 80 95 A R G < S+ 0 0 85 -3,-1.2 2,-0.5 -4,-0.3 -1,-0.2 0.338 85.2 85.5 -93.5 3.9 -8.3 -0.4 11.5 81 96 A I S < S- 0 0 22 -3,-0.9 6,-0.2 -4,-0.1 105,-0.1 -0.937 70.4-146.5-109.3 126.1 -9.4 -1.6 8.1 82 97 A E B >> -I 86 0D 123 4,-1.9 4,-3.3 -2,-0.5 3,-2.1 -0.762 36.2-100.2 -90.2 131.6 -12.9 -3.2 7.9 83 98 A P T 34 S+ 0 0 96 0, 0.0 107,-0.2 0, 0.0 106,-0.1 -0.293 101.9 0.8 -61.9 128.8 -12.9 -5.9 5.3 84 99 A D T 34 S+ 0 0 99 105,-1.3 105,-0.2 101,-0.1 106,-0.1 0.350 134.5 56.3 78.8 -2.3 -14.4 -4.9 2.0 85 100 A I T <4 S- 0 0 116 -3,-2.1 2,-0.4 104,-0.2 104,-0.3 0.652 76.2-170.0-122.7 -32.7 -14.9 -1.3 3.3 86 101 A G B < -I 82 0D 5 -4,-3.3 -4,-1.9 102,-0.3 101,-0.2 -0.640 40.2 -59.5 69.7-127.4 -11.6 -0.1 4.5 87 102 A M - 0 0 20 99,-2.2 5,-0.1 -2,-0.4 -6,-0.1 -0.946 62.5 -63.4-149.5 167.0 -11.8 3.2 6.4 88 103 A P >> - 0 0 76 0, 0.0 4,-1.9 0, 0.0 3,-0.8 -0.276 46.6-122.2 -57.8 141.5 -12.9 6.8 6.1 89 104 A E H 3> S+ 0 0 48 1,-0.3 4,-2.0 2,-0.2 5,-0.2 0.801 110.7 55.2 -59.4 -34.7 -11.0 8.8 3.5 90 105 A P H 3> S+ 0 0 57 0, 0.0 4,-1.5 0, 0.0 -1,-0.3 0.871 108.0 48.9 -64.7 -40.2 -9.9 11.4 6.0 91 106 A D H <> S+ 0 0 76 -3,-0.8 4,-1.8 1,-0.2 -2,-0.2 0.883 111.5 49.9 -65.0 -41.6 -8.4 8.7 8.2 92 107 A A H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.866 106.7 53.9 -64.5 -41.2 -6.6 7.1 5.3 93 108 A Q H X S+ 0 0 16 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.916 109.7 48.7 -63.1 -42.7 -5.1 10.4 4.1 94 109 A R H X S+ 0 0 76 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.892 110.9 48.1 -64.7 -42.5 -3.6 11.0 7.5 95 110 A F H X S+ 0 0 6 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.896 114.0 50.1 -63.4 -40.0 -2.1 7.6 7.9 96 111 A F H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.842 106.9 51.9 -64.5 -40.1 -0.7 8.0 4.4 97 112 A H H X S+ 0 0 59 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.922 115.2 43.6 -62.8 -43.6 0.8 11.4 5.2 98 113 A Q H X S+ 0 0 26 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.790 111.4 54.0 -66.5 -36.6 2.5 9.8 8.2 99 114 A L H X S+ 0 0 2 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.891 109.8 47.7 -65.2 -41.5 3.5 6.8 6.1 100 115 A M H X S+ 0 0 2 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.856 109.9 52.9 -67.7 -38.1 5.1 9.1 3.6 101 116 A A H X S+ 0 0 34 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.926 111.3 44.9 -63.4 -45.5 6.9 11.0 6.3 102 117 A G H X S+ 0 0 0 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.901 115.8 47.7 -64.7 -42.4 8.4 7.9 7.8 103 118 A V H X S+ 0 0 1 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.857 108.8 53.0 -65.9 -40.3 9.4 6.5 4.4 104 119 A V H X S+ 0 0 69 -4,-2.5 4,-1.8 1,-0.2 5,-0.2 0.914 107.9 52.5 -63.0 -41.4 10.9 9.8 3.3 105 120 A Y H X S+ 0 0 57 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.898 107.2 50.8 -62.6 -42.2 13.1 9.8 6.4 106 121 A L H <>S+ 0 0 1 -4,-1.5 5,-3.9 1,-0.2 4,-0.2 0.882 109.2 51.6 -63.2 -41.5 14.4 6.3 5.9 107 122 A H H <5S+ 0 0 11 -4,-1.7 3,-0.3 3,-0.3 -1,-0.2 0.867 109.6 47.0 -64.7 -41.1 15.4 7.1 2.3 108 123 A G H <5S+ 0 0 65 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.887 113.3 50.6 -64.2 -39.1 17.4 10.2 3.2 109 124 A I T <5S- 0 0 40 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.607 121.6-119.7 -70.8 -13.1 18.9 8.0 5.9 110 125 A G T 5S+ 0 0 1 -3,-0.3 30,-2.8 1,-0.2 31,-1.3 0.665 70.4 126.3 81.2 17.5 19.5 5.6 3.0 111 126 A I E < -J 139 0E 1 -5,-3.9 2,-0.4 28,-0.2 -1,-0.2 -0.920 42.0-160.9-114.3 133.3 17.4 2.7 4.5 112 127 A T E -J 138 0E 2 26,-2.3 26,-1.7 -2,-0.4 60,-0.1 -0.927 11.7-151.2-110.2 132.8 14.6 0.8 2.8 113 128 A H - 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0 0 66 -2,-0.3 3,-0.1 1,-0.1 -9,-0.0 -0.808 21.1-138.1-100.0 135.7 -6.1 -6.4 -1.7 192 207 A P S S- 0 0 8 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.883 74.8 -0.9 -62.5 -47.6 -6.0 -6.1 -5.5 193 208 A W - 0 0 6 -36,-0.1 7,-0.0 1,-0.1 0, 0.0 -0.976 58.6-122.9-144.6 155.7 -4.1 -9.2 -6.5 194 209 A D S S- 0 0 122 -2,-0.3 -1,-0.1 1,-0.3 -36,-0.1 0.892 101.3 -11.1 -63.1 -40.2 -2.3 -12.2 -4.9 195 210 A Q S S- 0 0 61 2,-0.1 2,-1.9 -38,-0.1 -1,-0.3 -0.981 77.4 -98.9-155.2 159.0 0.8 -11.0 -6.7 196 211 A P S S+ 0 0 4 0, 0.0 2,-0.3 0, 0.0 -32,-0.1 -0.491 73.0 132.0 -84.1 73.7 1.7 -8.5 -9.4 197 212 A S - 0 0 23 -2,-1.9 3,-0.4 1,-0.1 7,-0.3 -0.932 66.3-131.3-129.0 150.0 1.9 -10.9 -12.3 198 213 A D S S+ 0 0 92 -2,-0.3 6,-0.2 1,-0.3 -1,-0.1 0.828 112.7 60.2 -62.4 -33.7 0.6 -11.1 -15.8 199 214 A S S S+ 0 0 107 4,-0.1 2,-0.3 5,-0.0 -1,-0.3 0.867 88.7 85.7 -61.5 -37.8 -0.6 -14.6 -14.9 200 215 A C S > S- 0 0 12 -3,-0.4 4,-1.4 1,-0.1 -7,-0.0 -0.520 73.5-149.8 -68.2 127.9 -2.7 -13.0 -12.2 201 216 A Q H > S+ 0 0 112 -2,-0.3 4,-1.8 1,-0.2 -1,-0.1 0.892 91.9 54.2 -65.7 -42.2 -6.1 -12.0 -13.7 202 217 A E H > S+ 0 0 97 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.882 106.8 51.1 -62.8 -40.6 -6.7 -9.0 -11.3 203 218 A Y H > S+ 0 0 1 -6,-0.3 4,-2.0 -8,-0.3 -1,-0.2 0.887 107.7 53.3 -63.9 -39.8 -3.3 -7.4 -12.1 204 219 A S H X S+ 0 0 25 -4,-1.4 4,-2.2 -7,-0.3 -1,-0.2 0.885 105.9 53.3 -62.7 -40.2 -4.0 -7.7 -15.9 205 220 A D H X>S+ 0 0 20 -4,-1.8 5,-2.7 2,-0.2 4,-0.6 0.887 107.7 50.2 -63.1 -40.5 -7.3 -5.9 -15.5 206 221 A W H ><5S+ 0 0 12 -4,-1.6 3,-0.8 2,-0.2 -1,-0.2 0.914 111.1 49.7 -63.1 -41.9 -5.7 -3.0 -13.6 207 222 A K H 3<5S+ 0 0 70 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.860 109.8 50.7 -63.7 -35.4 -3.1 -2.9 -16.4 208 223 A E H 3<5S- 0 0 126 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.578 116.5-121.7 -76.5 -10.3 -6.0 -2.8 -18.9 209 224 A K T <<5 + 0 0 148 -3,-0.8 2,-2.1 -4,-0.6 -3,-0.2 0.746 55.2 157.3 74.9 26.3 -7.5 -0.0 -16.8 210 225 A K > < + 0 0 52 -5,-2.7 3,-0.7 1,-0.2 -1,-0.2 -0.541 5.4 157.3 -82.8 76.1 -10.7 -1.8 -16.0 211 226 A T T 3 + 0 0 43 -2,-2.1 -1,-0.2 1,-0.3 -5,-0.1 0.161 52.2 87.3 -91.1 14.6 -11.3 0.3 -12.9 212 227 A Y T 3 S+ 0 0 137 2,-0.1 2,-0.3 4,-0.1 -1,-0.3 0.303 83.9 76.4 -89.9 5.0 -15.0 -0.4 -13.0 213 228 A L S X> S- 0 0 55 -3,-0.7 4,-1.0 1,-0.1 3,-1.0 -0.796 90.2 -47.8-116.4 156.3 -14.1 -3.4 -11.0 214 229 A N T 34 S+ 0 0 79 1,-0.3 -2,-0.1 -2,-0.3 -1,-0.1 -0.334 115.4 17.3 -63.1 145.3 -13.2 -3.9 -7.3 215 230 A P T >> S+ 0 0 3 0, 0.0 4,-1.0 0, 0.0 3,-0.6 -0.995 126.0 53.4 -90.1 0.5 -11.3 -2.6 -5.5 216 231 A W T <4 S+ 0 0 9 -3,-1.0 -2,-0.2 1,-0.2 -5,-0.1 0.789 100.6 63.0 -62.4 -33.5 -11.1 0.4 -7.8 217 232 A K T 3< S+ 0 0 132 -4,-1.0 -1,-0.2 1,-0.2 -3,-0.1 0.883 103.1 50.1 -60.4 -40.9 -14.9 0.9 -7.9 218 233 A K T <4 S+ 0 0 72 -3,-0.6 -1,-0.2 -5,-0.1 -2,-0.2 0.820 96.6 85.4 -64.5 -38.1 -14.8 1.5 -4.1 219 234 A I S < S- 0 0 9 -4,-1.0 -31,-0.1 -3,-0.1 -35,-0.0 -0.477 83.8-115.4 -72.8 137.8 -12.0 4.1 -4.4 220 235 A D > - 0 0 74 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.227 26.8-110.6 -69.3 159.4 -12.9 7.8 -5.2 221 236 A S H > S+ 0 0 84 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.865 115.4 51.0 -61.6 -39.6 -11.6 9.3 -8.4 222 237 A A H > S+ 0 0 4 2,-0.2 4,-1.1 1,-0.2 27,-0.4 0.930 114.3 42.5 -64.3 -45.7 -9.1 11.6 -6.7 223 238 A P H > S+ 0 0 0 0, 0.0 4,-1.6 0, 0.0 -2,-0.2 0.867 113.6 54.3 -65.3 -39.1 -7.5 8.8 -4.6 224 239 A L H X S+ 0 0 18 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.831 100.2 59.3 -63.8 -38.3 -7.6 6.6 -7.6 225 240 A A H X S+ 0 0 43 -4,-1.9 4,-1.2 1,-0.2 -1,-0.2 0.877 107.1 47.5 -60.7 -40.0 -5.7 9.1 -9.8 226 241 A L H X S+ 0 0 0 -4,-1.1 4,-1.6 1,-0.2 -1,-0.2 0.872 110.3 52.9 -66.1 -40.8 -2.8 9.0 -7.3 227 242 A L H X S+ 0 0 0 -4,-1.6 4,-3.0 1,-0.2 -2,-0.2 0.872 102.1 57.6 -63.9 -37.7 -3.0 5.2 -7.4 228 243 A H H < S+ 0 0 70 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.898 110.1 46.3 -59.9 -40.3 -2.8 5.1 -11.1 229 244 A K H < S+ 0 0 84 -4,-1.2 10,-1.8 -5,-0.2 3,-0.4 0.802 116.1 44.5 -67.3 -36.0 0.5 7.0 -10.7 230 245 A I H < S+ 0 0 0 -4,-1.6 2,-1.7 1,-0.2 -2,-0.2 0.920 107.3 54.5 -78.6 -52.7 1.8 4.7 -7.9 231 246 A L S < S+ 0 0 4 -4,-3.0 2,-0.6 -5,-0.1 -1,-0.2 -0.381 73.5 142.1 -86.4 60.9 1.0 1.3 -9.3 232 247 A V - 0 0 40 -2,-1.7 6,-0.2 -3,-0.4 5,-0.1 -0.914 49.8-141.2 -98.8 119.4 2.8 1.9 -12.6 233 248 A E S S+ 0 0 58 -2,-0.6 -71,-0.1 1,-0.1 -1,-0.1 0.812 86.3 75.0 -54.9 -39.5 4.6 -1.3 -13.7 234 249 A N S >> S- 0 0 88 1,-0.2 3,-1.9 -73,-0.1 4,-1.6 -0.662 72.7-155.5 -75.9 103.6 7.7 0.4 -15.0 235 250 A P T 34 S+ 0 0 38 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.722 92.9 58.0 -55.6 -20.1 9.5 1.3 -11.8 236 251 A S T 34 S+ 0 0 104 1,-0.2 -3,-0.1 -3,-0.0 -2,-0.0 0.782 109.0 41.4 -77.2 -34.4 11.2 4.1 -13.8 237 252 A A T <4 S+ 0 0 71 -3,-1.9 -1,-0.2 -5,-0.1 3,-0.1 0.578 92.1 115.8 -88.6 -9.3 8.0 5.8 -14.8 238 253 A R S < S- 0 0 8 -4,-1.6 -8,-0.2 -6,-0.2 -9,-0.1 -0.338 77.6 -99.9 -63.1 135.0 6.5 5.3 -11.3 239 254 A I - 0 0 21 -10,-1.8 2,-0.2 -13,-0.1 -1,-0.1 -0.111 37.9-131.0 -49.4 146.9 5.7 8.5 -9.4 240 255 A T > - 0 0 70 -3,-0.1 4,-1.5 1,-0.1 5,-0.1 -0.605 20.5-108.3 -99.5 164.5 8.3 9.5 -6.8 241 256 A I H > S+ 0 0 13 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.868 119.6 55.0 -61.5 -38.3 7.7 10.5 -3.2 242 257 A P H > S+ 0 0 78 0, 0.0 4,-0.8 0, 0.0 3,-0.3 0.933 110.5 48.2 -60.8 -41.3 8.4 14.1 -3.9 243 258 A D H 4 S+ 0 0 65 1,-0.2 4,-0.5 2,-0.2 -2,-0.2 0.755 102.9 61.2 -65.1 -31.0 5.8 14.0 -6.6 244 259 A I H >< S+ 0 0 1 -4,-1.5 3,-1.0 1,-0.2 6,-0.2 0.869 100.0 56.0 -63.6 -38.1 3.3 12.2 -4.3 245 260 A K H 3< S+ 0 0 107 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.835 106.3 50.3 -62.5 -36.9 3.4 15.3 -2.1 246 261 A K T 3< S+ 0 0 152 -4,-0.8 -1,-0.3 -5,-0.1 -2,-0.2 0.566 86.0 118.9 -74.9 -12.4 2.4 17.5 -5.0 247 262 A D <> - 0 0 7 -3,-1.0 4,-1.2 -4,-0.5 -3,-0.0 -0.210 69.3-128.4 -59.7 147.0 -0.5 15.1 -5.8 248 263 A R T 4 S+ 0 0 181 2,-0.2 3,-0.2 1,-0.2 -1,-0.1 0.905 105.9 44.9 -64.7 -45.0 -3.9 16.8 -5.7 249 264 A W T >4 S+ 0 0 1 -27,-0.4 3,-1.5 1,-0.2 -1,-0.2 0.876 108.0 59.3 -65.4 -37.5 -5.6 14.2 -3.4 250 265 A Y T 34 S+ 0 0 13 1,-0.3 -1,-0.2 -6,-0.2 -2,-0.2 0.862 113.4 38.3 -59.9 -36.1 -2.6 14.2 -1.1 251 266 A N T 3< S+ 0 0 99 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.208 88.9 119.8-101.9 14.3 -3.1 17.9 -0.6 252 267 A K < - 0 0 76 -3,-1.5 2,-0.7 1,-0.1 -3,-0.0 -0.690 68.8-120.7 -84.5 126.3 -6.9 17.9 -0.5 253 268 A P 0 0 125 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.566 360.0 360.0 -71.3 108.9 -8.4 19.1 2.8 254 269 A L 0 0 90 -2,-0.7 -163,-0.1 -164,-0.1 -165,-0.0 0.668 360.0 360.0-118.9 360.0 -10.5 16.3 4.2