==== 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 2XEZ . 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. . 249 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12945.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 165 66.3 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 . 44 17.7 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 . 1 0.4 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 . 18 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 66 26.5 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 1 1 0 1 0 0 2 0 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 . 2 3 1 0 3 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 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 7 A E 0 0 162 0, 0.0 2,-0.6 0, 0.0 17,-0.0 0.000 360.0 360.0 360.0 -26.1 4.0 2.1 -6.9 2 8 A D - 0 0 87 2,-0.0 17,-3.5 0, 0.0 2,-0.5 -0.754 360.0-169.7 -99.4 118.2 6.6 -0.6 -7.6 3 9 A W E -A 18 0A 72 -2,-0.6 2,-0.5 15,-0.2 15,-0.2 -0.873 13.9-143.3-110.3 130.5 9.2 -1.4 -5.0 4 10 A D E -A 17 0A 91 13,-2.8 13,-2.3 -2,-0.5 2,-1.8 -0.780 16.5-133.9 -87.9 128.9 12.2 -3.7 -5.5 5 11 A L E +A 16 0A 82 -2,-0.5 11,-0.2 11,-0.2 3,-0.1 -0.568 32.3 176.7 -82.9 79.2 13.2 -5.8 -2.5 6 12 A V E - 0 0 81 -2,-1.8 2,-0.3 9,-0.7 -1,-0.2 0.880 53.4 -27.8 -52.8 -54.1 16.9 -5.1 -2.7 7 13 A Q E -A 15 0A 105 8,-0.9 8,-2.7 -3,-0.2 2,-0.4 -0.984 64.3 -89.6-159.8 166.3 18.1 -7.0 0.4 8 14 A T E +A 14 0A 77 -2,-0.3 6,-0.3 6,-0.2 -3,-0.0 -0.708 33.1 176.9 -85.7 133.4 17.2 -8.3 3.9 9 15 A L 0 0 73 4,-3.3 5,-0.2 -2,-0.4 -1,-0.1 0.839 360.0 360.0-102.4 -49.9 17.9 -5.8 6.8 10 16 A G 0 0 67 3,-1.2 3,-2.0 0, 0.0 -1,-0.3 -0.918 360.0 360.0-123.9 360.0 16.7 -7.6 9.9 11 ! 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 12 22 A E 0 0 110 0, 0.0 17,-3.0 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 166.6 11.9 -10.3 8.7 13 23 A V E - B 0 28A 37 -3,-2.0 -4,-3.3 15,-0.2 -3,-1.2 -0.998 360.0-170.9-133.7 135.5 12.6 -6.8 7.4 14 24 A Q E -AB 8 27A 30 13,-2.1 13,-2.9 -2,-0.4 2,-0.5 -0.915 26.0-119.1-124.1 152.9 13.8 -5.8 3.9 15 25 A L E -AB 7 26A 13 -8,-2.7 -8,-0.9 -2,-0.3 -9,-0.7 -0.782 31.9-160.5 -84.0 130.3 15.1 -2.6 2.3 16 26 A A E -AB 5 25A 0 9,-3.7 9,-2.8 -2,-0.5 2,-0.5 -0.956 6.0-162.4-116.9 131.2 12.8 -1.6 -0.6 17 27 A V E -AB 4 24A 30 -13,-2.3 -13,-2.8 -2,-0.5 7,-0.2 -0.952 28.1-114.0-113.6 129.2 13.9 0.8 -3.3 18 28 A N E > -A 3 0A 13 5,-2.9 4,-0.7 -2,-0.5 -15,-0.2 -0.340 16.8-133.8 -63.6 140.1 11.3 2.4 -5.4 19 29 A R T 4 S+ 0 0 167 -17,-3.5 -1,-0.1 2,-0.1 -16,-0.1 0.874 101.6 18.2 -62.2 -40.8 11.3 1.4 -9.0 20 30 A V T 4 S+ 0 0 119 -18,-0.3 -1,-0.1 3,-0.0 -2,-0.1 0.888 134.4 36.9 -96.0 -53.6 11.0 4.9 -10.3 21 31 A T T 4 S- 0 0 68 1,-0.1 -2,-0.1 2,-0.1 3,-0.1 0.820 86.4-141.4 -67.9 -37.4 12.0 7.2 -7.4 22 32 A E < + 0 0 151 -4,-0.7 -3,-0.1 1,-0.3 -1,-0.1 0.551 46.3 157.2 79.7 9.1 14.8 4.9 -6.1 23 33 A E - 0 0 114 -6,-0.1 -5,-2.9 1,-0.1 2,-0.5 -0.348 37.5-130.4 -65.0 146.2 13.5 6.0 -2.7 24 34 A A E +B 17 0A 37 -7,-0.2 44,-0.6 -3,-0.1 2,-0.3 -0.881 33.0 162.4-107.7 131.6 14.4 3.6 0.1 25 35 A V E -BC 16 67A 9 -9,-2.8 -9,-3.7 -2,-0.5 2,-0.4 -0.928 34.1-116.5-138.9 162.6 11.9 2.3 2.6 26 36 A A E -BC 15 66A 10 40,-3.8 40,-3.2 -2,-0.3 2,-0.6 -0.871 20.7-158.6-106.1 134.3 11.8 -0.6 5.1 27 37 A V E -BC 14 65A 6 -13,-2.9 -13,-2.1 -2,-0.4 2,-0.6 -0.936 3.4-155.8-117.9 113.3 9.3 -3.4 4.7 28 38 A K E -BC 13 64A 31 36,-2.0 36,-2.1 -2,-0.6 2,-0.6 -0.765 12.7-154.6 -87.0 120.5 8.4 -5.5 7.8 29 39 A I E + C 0 63A 29 -17,-3.0 2,-0.4 -2,-0.6 34,-0.2 -0.866 18.2 171.8-103.7 118.9 7.1 -8.9 6.7 30 40 A V E - C 0 62A 43 32,-2.3 32,-3.3 -2,-0.6 2,-0.5 -0.955 17.0-159.5-132.4 115.4 4.8 -10.8 9.1 31 41 A D 0 0 122 -2,-0.4 -2,-0.0 30,-0.3 32,-0.0 -0.802 360.0 360.0 -94.2 130.3 2.9 -14.0 8.3 32 42 A M 0 0 145 -2,-0.5 -1,-0.2 3,-0.0 0, 0.0 0.892 360.0 360.0 -90.9 360.0 -0.1 -14.7 10.6 33 ! 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 34 51 A N > 0 0 126 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -37.1 -0.1 -7.9 18.2 35 52 A I H > + 0 0 17 2,-0.2 4,-0.9 1,-0.2 5,-0.1 0.668 360.0 54.1 -83.3 -19.7 0.3 -6.9 14.5 36 53 A K H > S+ 0 0 166 2,-0.2 4,-1.5 3,-0.1 -1,-0.2 0.795 111.6 45.0 -80.1 -31.7 -3.0 -5.1 14.5 37 54 A K H > S+ 0 0 86 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.846 107.6 57.6 -79.1 -36.7 -2.0 -3.0 17.5 38 55 A E H X S+ 0 0 6 -4,-1.6 4,-1.8 1,-0.2 -2,-0.2 0.860 110.4 44.8 -60.4 -36.9 1.5 -2.3 16.0 39 56 A I H X S+ 0 0 11 -4,-0.9 4,-1.8 2,-0.2 -1,-0.2 0.872 111.7 52.2 -74.7 -39.6 -0.3 -0.8 12.9 40 57 A C H X S+ 0 0 75 -4,-1.5 4,-0.6 2,-0.2 3,-0.4 0.983 112.8 43.9 -57.8 -60.7 -2.8 1.2 15.0 41 58 A I H >X S+ 0 0 4 -4,-2.6 3,-1.7 1,-0.2 4,-0.7 0.893 109.0 57.6 -50.5 -48.0 -0.0 2.8 17.2 42 59 A N H >< S+ 0 0 5 -4,-1.8 3,-1.2 1,-0.3 11,-0.3 0.893 99.4 60.9 -52.3 -41.2 2.1 3.5 14.1 43 60 A K H 3< S+ 0 0 135 -4,-1.8 -1,-0.3 -3,-0.4 -2,-0.2 0.706 102.7 51.0 -58.6 -24.0 -0.8 5.5 12.7 44 61 A M H << S+ 0 0 84 -3,-1.7 2,-0.5 -4,-0.6 -1,-0.2 0.683 91.3 98.8 -86.1 -17.0 -0.7 7.9 15.7 45 62 A L << + 0 0 16 -3,-1.2 8,-0.5 -4,-0.7 2,-0.3 -0.606 31.9 154.9 -90.7 122.4 3.1 8.7 15.4 46 63 A N + 0 0 120 -2,-0.5 2,-0.3 6,-0.1 5,-0.1 -0.744 26.8 119.5-141.3 99.1 4.7 11.7 13.8 47 64 A H > - 0 0 27 3,-0.3 3,-2.0 -2,-0.3 52,-0.0 -0.982 62.0-126.2-159.6 140.8 8.1 12.8 15.0 48 65 A E T 3 S+ 0 0 115 -2,-0.3 51,-0.1 1,-0.3 4,-0.1 0.528 113.3 52.7 -70.0 -5.7 11.6 13.2 13.6 49 66 A N T 3 S+ 0 0 10 49,-0.1 79,-2.5 78,-0.1 2,-0.4 0.111 100.6 72.5-114.6 17.9 13.0 10.9 16.3 50 67 A V B < S-e 128 0B 1 -3,-2.0 -3,-0.3 77,-0.3 2,-0.3 -0.998 96.3-100.7-129.5 136.9 10.5 8.1 15.6 51 68 A V - 0 0 8 77,-2.2 79,-0.1 -2,-0.4 -6,-0.1 -0.394 47.3-120.1 -56.8 115.1 10.6 5.8 12.6 52 69 A K - 0 0 71 -2,-0.3 15,-2.7 14,-0.1 2,-0.5 -0.284 17.3-137.2 -65.3 139.2 7.9 7.2 10.2 53 70 A F E +D 66 0A 39 -8,-0.5 13,-0.2 -11,-0.3 3,-0.1 -0.853 23.1 175.5 -97.6 128.0 5.0 5.0 9.2 54 71 A Y E - 0 0 123 11,-3.5 2,-0.3 -2,-0.5 12,-0.2 0.805 52.5 -78.8 -99.1 -38.8 4.1 5.1 5.5 55 72 A G E -D 65 0A 17 10,-1.1 10,-3.3 2,-0.0 -1,-0.3 -0.969 35.0-109.9 162.0-174.7 1.4 2.4 5.4 56 73 A H E -D 64 0A 75 -2,-0.3 2,-0.4 8,-0.2 8,-0.2 -0.980 10.1-155.4-147.3 156.6 0.4 -1.3 5.2 57 74 A R E -D 63 0A 132 6,-1.6 6,-1.7 -2,-0.3 2,-1.2 -0.977 12.4-145.3-139.8 125.2 -1.0 -3.9 2.8 58 75 A R E D 62 0A 209 -2,-0.4 4,-0.2 4,-0.2 -2,-0.0 -0.681 360.0 360.0 -92.7 87.8 -2.9 -7.1 3.8 59 76 A E 0 0 159 -2,-1.2 -1,-0.1 2,-1.0 -2,-0.0 -0.580 360.0 360.0 -81.6 360.0 -1.9 -9.7 1.1 60 ! 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 61 79 A I 0 0 93 0, 0.0 -2,-1.0 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 119.8 1.1 -12.2 5.3 62 80 A Q E -CD 30 58A 14 -32,-3.3 -32,-2.3 -4,-0.2 2,-0.5 -0.880 360.0-152.4-112.8 139.5 1.1 -8.5 6.3 63 81 A Y E -CD 29 57A 50 -6,-1.7 -6,-1.6 -2,-0.4 2,-0.5 -0.929 6.9-167.2-119.0 114.0 3.4 -5.7 4.9 64 82 A L E -CD 28 56A 0 -36,-2.1 -36,-2.0 -2,-0.5 2,-0.7 -0.853 11.8-147.1-102.3 131.7 4.4 -2.7 7.0 65 83 A F E +CD 27 55A 30 -10,-3.3 -11,-3.5 -2,-0.5 -10,-1.1 -0.852 27.8 171.7-101.9 111.2 6.0 0.3 5.3 66 84 A L E -CD 26 53A 21 -40,-3.2 -40,-3.8 -2,-0.7 -13,-0.2 -0.895 39.4 -88.6-125.5 145.4 8.5 2.1 7.5 67 85 A E E -C 25 0A 22 -15,-2.7 2,-0.5 -2,-0.3 -42,-0.2 -0.101 44.5-123.1 -45.6 142.6 11.1 4.8 7.1 68 86 A Y - 0 0 58 -44,-0.6 2,-0.7 -43,-0.1 -1,-0.1 -0.829 18.7-159.6 -96.8 130.3 14.5 3.5 6.1 69 87 A C > - 0 0 11 -2,-0.5 3,-0.7 1,-0.1 51,-0.2 -0.909 7.2-172.0-111.8 108.6 17.5 4.4 8.3 70 88 A S T 3 S+ 0 0 63 -2,-0.7 51,-0.2 1,-0.2 -1,-0.1 0.804 82.1 65.7 -64.9 -34.0 20.8 4.1 6.4 71 89 A G T 3 S- 0 0 24 49,-1.4 -1,-0.2 1,-0.2 50,-0.2 0.813 93.7-153.2 -60.0 -36.0 22.8 4.6 9.6 72 90 A G E < -F 120 0B 26 48,-1.2 48,-2.5 -3,-0.7 -1,-0.2 -0.388 40.3 -16.6 88.3-171.2 21.5 1.3 11.0 73 91 A E E > -F 119 0B 59 46,-0.2 3,-1.4 1,-0.1 4,-0.3 -0.400 51.0-129.7 -73.7 148.0 21.2 0.5 14.7 74 92 A L G > S+ 0 0 1 44,-3.0 3,-1.2 41,-0.9 4,-0.3 0.716 104.2 76.6 -63.5 -20.0 22.9 2.5 17.5 75 93 A F G > S+ 0 0 93 40,-1.1 3,-1.1 1,-0.3 -1,-0.3 0.868 90.9 52.5 -60.8 -39.1 24.1 -0.9 18.7 76 94 A D G < S+ 0 0 117 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.587 100.4 61.4 -74.1 -13.9 26.7 -0.9 15.9 77 95 A R G < S+ 0 0 87 -3,-1.2 2,-0.6 -4,-0.3 -1,-0.2 0.405 87.7 87.8 -91.1 0.3 28.0 2.5 16.9 78 96 A I S < S- 0 0 24 -3,-1.1 6,-0.2 -4,-0.3 105,-0.1 -0.901 71.8-144.8-104.8 120.3 29.0 1.2 20.4 79 97 A E B >> -H 83 0C 108 4,-2.4 4,-2.7 -2,-0.6 3,-1.7 -0.653 32.0-101.6 -83.0 134.8 32.5 -0.3 20.6 80 98 A P T 34 S- 0 0 102 0, 0.0 107,-0.2 0, 0.0 106,-0.1 -0.342 101.0 -1.3 -63.5 129.6 32.7 -3.2 23.0 81 99 A D T 34 S+ 0 0 101 105,-2.0 105,-0.2 1,-0.1 106,-0.1 0.343 134.7 58.9 76.8 -3.3 34.2 -2.4 26.4 82 100 A I T <4 S- 0 0 93 -3,-1.7 2,-0.5 104,-0.2 104,-0.3 0.740 75.9-165.1-118.8 -49.6 34.7 1.2 25.2 83 101 A G B < -H 79 0C 3 -4,-2.7 -4,-2.4 102,-0.3 101,-0.2 -0.850 38.4 -62.3 98.7-130.5 31.5 2.8 24.2 84 102 A M - 0 0 24 99,-1.4 -6,-0.1 -2,-0.5 2,-0.1 -0.948 62.3 -65.3-151.3 167.2 31.6 6.0 22.1 85 103 A P >> - 0 0 77 0, 0.0 4,-1.9 0, 0.0 3,-1.2 -0.402 50.4-120.2 -59.7 136.1 32.9 9.6 22.5 86 104 A E H 3> S+ 0 0 47 1,-0.3 4,-2.2 2,-0.2 5,-0.1 0.769 109.4 56.4 -51.3 -36.8 31.0 11.4 25.2 87 105 A P H 3> S+ 0 0 32 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.842 107.2 47.4 -68.6 -35.0 29.7 14.1 22.8 88 106 A D H <> S+ 0 0 64 -3,-1.2 4,-2.8 2,-0.2 5,-0.2 0.912 111.5 52.2 -69.6 -41.1 28.1 11.6 20.4 89 107 A A H X S+ 0 0 0 -4,-1.9 4,-2.8 1,-0.2 -1,-0.2 0.924 110.1 48.0 -56.1 -48.3 26.5 9.8 23.3 90 108 A Q H X S+ 0 0 18 -4,-2.2 4,-2.9 2,-0.2 -1,-0.2 0.910 111.4 50.2 -62.6 -42.8 25.0 13.1 24.6 91 109 A R H X S+ 0 0 76 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.937 113.1 45.4 -59.6 -48.8 23.7 14.0 21.2 92 110 A F H X S+ 0 0 7 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.896 112.9 51.9 -62.4 -40.9 22.0 10.5 20.8 93 111 A F H X S+ 0 0 0 -4,-2.8 4,-2.7 -5,-0.2 -2,-0.2 0.910 106.4 52.6 -61.7 -43.5 20.7 10.8 24.3 94 112 A H H X S+ 0 0 56 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.897 114.0 44.4 -57.7 -39.7 19.2 14.3 23.6 95 113 A Q H X S+ 0 0 27 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.856 110.8 53.1 -74.6 -35.2 17.4 12.7 20.6 96 114 A L H X S+ 0 0 1 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.903 110.4 49.1 -63.2 -41.9 16.4 9.6 22.5 97 115 A M H X S+ 0 0 0 -4,-2.7 4,-3.0 2,-0.2 -2,-0.2 0.890 109.6 50.1 -64.3 -42.0 14.8 12.0 25.1 98 116 A A H X S+ 0 0 30 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.918 112.6 48.2 -63.9 -42.4 12.9 14.0 22.5 99 117 A G H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.920 114.4 45.4 -61.2 -46.8 11.6 10.8 21.0 100 118 A V H X S+ 0 0 1 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.926 109.3 54.5 -68.1 -44.9 10.5 9.4 24.3 101 119 A V H X S+ 0 0 57 -4,-3.0 4,-1.4 1,-0.2 -1,-0.2 0.929 109.0 50.7 -50.1 -47.8 8.9 12.7 25.5 102 120 A Y H >X S+ 0 0 49 -4,-1.9 4,-1.7 2,-0.2 3,-0.7 0.956 110.5 47.0 -55.5 -57.9 6.8 12.7 22.3 103 121 A L H 3<>S+ 0 0 1 -4,-2.0 5,-3.0 1,-0.3 3,-0.4 0.908 112.9 48.5 -51.2 -51.8 5.6 9.1 22.8 104 122 A H H ><5S+ 0 0 8 -4,-2.7 3,-0.9 3,-0.2 -1,-0.3 0.738 107.1 59.3 -62.6 -23.9 4.7 9.7 26.5 105 123 A G H <<5S+ 0 0 56 -4,-1.4 -1,-0.2 -3,-0.7 -2,-0.2 0.864 107.8 42.7 -74.5 -37.0 2.9 12.9 25.4 106 124 A I T 3<5S- 0 0 57 -4,-1.7 -1,-0.2 -3,-0.4 -2,-0.2 0.053 124.9-105.7 -96.3 25.3 0.6 11.0 23.1 107 125 A G T < 5S+ 0 0 1 -3,-0.9 30,-2.5 1,-0.2 31,-1.2 0.691 76.0 133.5 65.1 26.8 0.2 8.4 25.8 108 126 A I E < -I 136 0D 0 -5,-3.0 2,-0.5 28,-0.2 28,-0.2 -0.895 38.2-162.0-111.2 138.1 2.4 5.6 24.2 109 127 A T E -I 135 0D 0 26,-2.5 26,-1.8 -2,-0.4 60,-0.1 -0.969 10.0-155.9-117.2 127.4 5.1 3.5 25.8 110 128 A H - 0 0 2 -2,-0.5 23,-0.2 24,-0.2 -1,-0.1 0.922 17.5-165.3 -65.1 -46.2 7.6 1.7 23.6 111 129 A R S S+ 0 0 37 57,-0.1 -1,-0.1 23,-0.1 20,-0.0 0.383 70.2 63.0 76.5 -0.7 8.4 -1.0 26.3 112 130 A D + 0 0 16 39,-0.1 2,-0.7 18,-0.1 5,-0.1 -0.335 61.8 167.9-147.3 62.1 11.5 -2.3 24.6 113 131 A I + 0 0 3 42,-0.1 39,-0.1 39,-0.1 66,-0.1 -0.703 20.8 129.1 -88.1 117.5 14.1 0.5 24.5 114 132 A K S > S- 0 0 37 -2,-0.7 3,-1.8 64,-0.0 -40,-0.1 -0.946 71.7 -95.6-157.0 164.2 17.6 -0.9 23.6 115 133 A P G > S+ 0 0 1 0, 0.0 3,-1.3 0, 0.0 -40,-1.1 0.784 119.7 65.3 -65.4 -25.5 20.3 0.0 21.0 116 134 A E G 3 S+ 0 0 61 1,-0.2 -3,-0.1 -42,-0.2 -43,-0.0 0.745 106.5 44.0 -58.3 -27.5 18.9 -2.7 18.6 117 135 A N G < S+ 0 0 16 -3,-1.8 12,-2.8 1,-0.1 2,-0.6 0.178 94.6 87.0-107.1 14.5 15.7 -0.6 18.4 118 136 A L E < - G 0 128B 1 -3,-1.3 -44,-3.0 10,-0.2 -43,-0.3 -0.915 64.4-168.5-117.8 99.4 17.4 2.8 18.0 119 137 A L E -FG 73 127B 37 8,-2.2 8,-2.5 -2,-0.6 2,-0.4 -0.525 11.9-140.5 -87.5 155.2 18.1 3.4 14.4 120 138 A L E -FG 72 126B 0 -48,-2.5 -49,-1.4 6,-0.2 -48,-1.2 -0.963 11.2-149.7-119.0 132.5 20.3 6.1 12.8 121 139 A D > - 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0 0 0 14,-0.1 4,-0.6 1,-0.1 3,-0.6 -0.372 22.5-117.7 -71.8 153.0 13.4 -1.8 35.1 158 176 A P H >> S+ 0 0 0 0, 0.0 4,-1.2 0, 0.0 3,-0.7 0.813 107.6 61.4 -62.2 -37.2 13.3 -3.5 38.6 159 177 A E H 3> S+ 0 0 4 1,-0.3 4,-2.4 2,-0.2 72,-0.0 0.817 94.0 64.2 -61.6 -33.0 9.6 -2.8 39.4 160 178 A L H <4 S+ 0 0 11 -3,-0.6 -1,-0.3 1,-0.2 6,-0.0 0.866 107.7 43.8 -60.6 -37.4 8.6 -4.9 36.4 161 179 A L H << S+ 0 0 60 -3,-0.7 -1,-0.2 -4,-0.6 -2,-0.2 0.813 124.8 28.9 -68.9 -38.5 10.2 -7.9 38.2 162 180 A K H < S+ 0 0 83 -4,-1.2 2,-0.4 1,-0.0 -2,-0.2 0.515 108.4 70.8-108.9 -9.0 8.9 -7.3 41.7 163 181 A R < - 0 0 158 -4,-2.4 3,-0.1 -5,-0.2 -1,-0.0 -0.900 62.0-146.4-120.0 141.7 5.5 -5.6 41.3 164 182 A R S S+ 0 0 190 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.896 92.8 17.6 -64.6 -42.5 2.2 -6.8 40.0 165 183 A E S S+ 0 0 72 -6,-0.0 2,-0.3 -20,-0.0 -18,-0.2 -0.960 71.2 171.2-132.4 149.9 1.5 -3.3 38.5 166 184 A F B -K 146 0F 12 -20,-2.0 -20,-3.0 -2,-0.3 2,-0.1 -0.991 37.9 -92.2-154.7 155.4 3.7 -0.3 37.6 167 185 A H > - 0 0 82 -2,-0.3 4,-0.5 -22,-0.2 -22,-0.1 -0.434 31.0-138.5 -66.3 140.9 3.7 3.0 35.9 168 186 A A H > S+ 0 0 0 -24,-0.3 4,-1.3 1,-0.2 3,-0.5 0.868 90.7 57.7 -70.4 -40.9 4.7 3.0 32.2 169 187 A E H > S+ 0 0 59 1,-0.2 4,-1.5 2,-0.2 3,-0.3 0.904 101.1 52.1 -67.8 -46.6 6.9 6.1 32.0 170 188 A P H > S+ 0 0 25 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.760 104.8 61.3 -59.1 -23.5 9.6 5.3 34.7 171 189 A V H X S+ 0 0 13 -4,-0.5 4,-1.6 -3,-0.5 -2,-0.2 0.930 107.1 42.1 -69.0 -44.7 10.0 1.9 32.9 172 190 A D H X S+ 0 0 1 -4,-1.3 4,-1.5 -3,-0.3 -1,-0.2 0.770 111.0 57.0 -67.4 -29.7 11.1 3.7 29.7 173 191 A V H X S+ 0 0 7 -4,-1.5 4,-1.7 2,-0.2 -2,-0.2 0.907 105.4 51.4 -71.0 -41.1 13.3 6.1 31.6 174 192 A W H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.913 108.5 50.2 -58.3 -48.3 15.2 3.2 33.2 175 193 A S H X S+ 0 0 6 -4,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.855 106.1 56.3 -63.7 -35.0 15.9 1.6 29.8 176 194 A C H X S+ 0 0 0 -4,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.891 107.1 50.0 -62.8 -40.0 17.2 4.9 28.5 177 195 A G H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.907 109.2 49.8 -63.4 -43.7 19.7 5.0 31.4 178 196 A I H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.893 111.8 50.6 -58.8 -39.7 20.8 1.5 30.6 179 197 A V H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.914 109.1 50.1 -63.7 -41.0 21.2 2.7 27.0 180 198 A L H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.873 108.6 53.5 -62.8 -39.1 23.2 5.7 28.2 181 199 A T H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 6,-0.5 0.896 108.2 49.7 -62.8 -42.0 25.4 3.3 30.2 182 200 A A H X S+ 0 0 6 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.882 109.9 50.0 -64.2 -42.0 26.1 1.2 27.1 183 201 A M H < S+ 0 0 1 -4,-2.0 -99,-1.4 1,-0.2 -1,-0.2 0.886 116.7 42.7 -64.1 -42.4 27.0 4.2 25.0 184 202 A L H < S+ 0 0 16 -4,-2.1 -2,-0.2 -101,-0.2 -1,-0.2 0.807 130.8 18.8 -70.5 -38.8 29.4 5.4 27.7 185 203 A A H < S- 0 0 0 -4,-2.3 -102,-0.3 2,-0.2 -3,-0.2 0.481 90.0-126.0-117.3 -7.4 31.1 2.1 28.8 186 204 A G S < S+ 0 0 15 -4,-2.0 -105,-2.0 -5,-0.3 2,-0.3 0.692 81.4 84.5 69.9 15.1 30.5 -0.3 25.9 187 205 A E S S- 0 0 57 -6,-0.5 -2,-0.2 -107,-0.2 -1,-0.2 -0.989 77.6-117.1-146.7 157.1 29.0 -2.8 28.3 188 206 A L - 0 0 66 -2,-0.3 -9,-0.0 1,-0.1 -33,-0.0 -0.786 23.4-139.6 -93.5 134.6 25.7 -3.7 30.1 189 207 A P S S- 0 0 9 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.787 73.0 -2.4 -70.1 -29.7 25.9 -3.4 33.9 190 208 A W - 0 0 5 -36,-0.1 7,-0.0 9,-0.1 0, 0.0 -0.947 59.7-117.4-155.6 168.2 23.9 -6.5 34.9 191 209 A D S S- 0 0 116 1,-0.4 -36,-0.1 -2,-0.3 -1,-0.1 0.814 99.6 -13.6 -81.5 -36.1 21.9 -9.4 33.5 192 210 A Q S S- 0 0 67 2,-0.1 2,-1.8 -38,-0.1 -1,-0.4 -0.963 74.1-101.8-158.4 157.5 18.8 -8.2 35.2 193 211 A P S S+ 0 0 0 0, 0.0 2,-0.3 0, 0.0 -32,-0.2 -0.533 74.8 124.9 -85.2 73.2 17.9 -5.7 37.9 194 212 A S > - 0 0 16 -2,-1.8 3,-0.9 1,-0.1 7,-0.3 -0.963 69.1-125.4-132.4 151.3 17.4 -8.2 40.7 195 213 A D T 3 S+ 0 0 92 -2,-0.3 6,-0.2 1,-0.3 -1,-0.1 0.808 111.8 64.0 -62.1 -31.6 18.9 -8.6 44.2 196 214 A S T 3 S+ 0 0 108 4,-0.1 2,-0.4 5,-0.0 -1,-0.3 0.882 87.9 86.0 -60.2 -33.6 19.9 -12.1 43.3 197 215 A C S <> S- 0 0 11 -3,-0.9 4,-1.6 1,-0.2 5,-0.1 -0.533 72.0-152.4 -73.2 124.5 22.2 -10.5 40.7 198 216 A Q H > S+ 0 0 113 -2,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.882 91.8 53.3 -64.3 -41.9 25.5 -9.6 42.2 199 217 A E H > S+ 0 0 95 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.902 106.8 51.6 -63.2 -41.2 26.3 -6.7 39.9 200 218 A Y H > S+ 0 0 1 -6,-0.3 4,-1.9 -8,-0.3 -1,-0.2 0.904 108.7 52.0 -62.9 -40.0 23.0 -5.0 40.6 201 219 A S H X S+ 0 0 18 -4,-1.6 4,-2.0 -7,-0.3 -1,-0.2 0.868 104.6 56.1 -63.0 -38.8 23.6 -5.2 44.3 202 220 A D H <>S+ 0 0 21 -4,-1.8 5,-2.7 2,-0.2 -1,-0.2 0.886 107.7 48.3 -62.5 -40.2 27.0 -3.6 43.9 203 221 A W H ><5S+ 0 0 12 -4,-1.6 3,-1.2 3,-0.2 -1,-0.2 0.896 109.9 51.9 -64.4 -41.8 25.5 -0.6 42.2 204 222 A K H 3<5S+ 0 0 68 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.866 109.1 50.6 -62.9 -36.3 22.8 -0.3 44.9 205 223 A E T 3<5S- 0 0 121 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.523 118.2-119.6 -78.3 -6.3 25.7 -0.4 47.4 206 224 A K T < 5 + 0 0 152 -3,-1.2 2,-2.2 -4,-0.2 -3,-0.2 0.726 55.9 156.9 76.1 24.8 27.3 2.4 45.3 207 225 A K > < + 0 0 53 -5,-2.7 3,-1.0 1,-0.2 -1,-0.2 -0.519 5.9 157.0 -81.9 77.1 30.5 0.6 44.4 208 226 A T T 3 + 0 0 41 -2,-2.2 -1,-0.2 1,-0.2 -5,-0.1 0.497 54.2 84.0 -85.8 -2.0 31.1 2.7 41.4 209 227 A Y T 3 S+ 0 0 152 -3,-0.2 -1,-0.2 4,-0.1 2,-0.2 0.544 85.1 79.7 -72.0 -7.1 34.9 1.9 41.4 210 228 A L S <> S- 0 0 62 -3,-1.0 4,-1.7 1,-0.1 3,-0.2 -0.524 90.7 -54.0 -93.5 166.4 33.8 -1.2 39.5 211 229 A N T 4 S+ 0 0 91 1,-0.3 -1,-0.1 2,-0.2 -2,-0.1 -0.573 112.9 20.7 -81.4 150.9 32.8 -1.5 35.8 212 230 A P T >4 S+ 0 0 2 0, 0.0 3,-1.5 0, 0.0 -1,-0.3 -0.996 126.2 51.6 -79.2 -9.4 31.0 -0.2 33.9 213 231 A W G >4 S+ 0 0 9 1,-0.3 3,-1.7 2,-0.2 -2,-0.2 0.758 99.1 64.5 -65.0 -28.4 30.8 2.8 36.2 214 232 A K G 3< S+ 0 0 150 -4,-1.7 -1,-0.3 1,-0.3 -3,-0.2 0.805 99.0 55.6 -63.1 -30.1 34.6 3.3 36.5 215 233 A K G < S+ 0 0 68 -3,-1.5 2,-0.4 -5,-0.2 -1,-0.3 0.417 95.0 90.5 -81.3 -0.3 34.8 4.0 32.8 216 234 A I S < S- 0 0 14 -3,-1.7 -31,-0.1 -4,-0.1 -35,-0.0 -0.861 78.5-119.1-110.2 132.3 32.2 6.8 33.2 217 235 A D > - 0 0 74 -2,-0.4 4,-2.1 1,-0.1 5,-0.2 -0.186 30.6-111.4 -64.1 155.4 32.9 10.5 33.8 218 236 A S H > S+ 0 0 82 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.809 112.0 53.9 -61.1 -38.3 31.5 12.0 37.0 219 237 A A H > S+ 0 0 4 2,-0.2 4,-1.1 1,-0.2 27,-0.4 0.931 113.2 41.0 -64.6 -46.0 28.9 14.2 35.3 220 238 A P H > S+ 0 0 0 0, 0.0 4,-1.8 0, 0.0 3,-0.2 0.882 114.0 54.8 -66.3 -39.7 27.3 11.5 33.3 221 239 A L H X S+ 0 0 19 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.819 100.8 58.5 -62.9 -36.8 27.5 9.1 36.2 222 240 A A H X S+ 0 0 48 -4,-1.6 4,-1.2 2,-0.2 -1,-0.2 0.874 107.0 48.3 -61.8 -39.2 25.6 11.6 38.4 223 241 A L H X S+ 0 0 0 -4,-1.1 4,-2.2 -3,-0.2 3,-0.3 0.908 108.8 53.5 -64.5 -43.0 22.8 11.5 35.9 224 242 A L H X S+ 0 0 0 -4,-1.8 4,-2.9 1,-0.2 -2,-0.2 0.845 102.6 57.5 -62.6 -36.4 22.8 7.7 35.9 225 243 A H H < S+ 0 0 63 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.888 109.9 45.8 -61.1 -39.9 22.6 7.7 39.7 226 244 A K H < S+ 0 0 84 -4,-1.2 10,-1.7 -3,-0.3 3,-0.3 0.866 117.6 42.7 -67.4 -40.6 19.3 9.7 39.3 227 245 A I H < S+ 0 0 0 -4,-2.2 2,-1.8 1,-0.2 -2,-0.2 0.918 106.3 59.0 -72.8 -46.4 18.0 7.4 36.5 228 246 A L S < S+ 0 0 5 -4,-2.9 2,-0.5 -5,-0.1 -1,-0.2 -0.418 72.0 141.4 -88.8 66.3 18.9 4.0 37.9 229 247 A V - 0 0 39 -2,-1.8 6,-0.2 -3,-0.3 5,-0.1 -0.910 50.1-141.3-109.4 128.5 16.9 4.3 41.1 230 248 A E S S+ 0 0 61 -2,-0.5 -71,-0.2 1,-0.1 -1,-0.1 0.871 87.3 73.0 -61.1 -39.6 15.1 1.2 42.3 231 249 A N S >> S- 0 0 87 1,-0.2 4,-1.7 -73,-0.1 3,-1.3 -0.692 71.0-156.6 -80.4 108.6 12.0 3.0 43.5 232 250 A P T 34 S+ 0 0 36 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.678 94.5 56.7 -59.1 -20.2 10.1 4.1 40.3 233 251 A S T 34 S+ 0 0 104 1,-0.1 -2,-0.1 -3,-0.0 -3,-0.0 0.757 110.8 41.4 -80.7 -28.3 8.5 6.8 42.4 234 252 A A T <4 S+ 0 0 67 -3,-1.3 -1,-0.1 2,-0.1 3,-0.1 0.694 91.9 111.9 -89.4 -20.5 11.9 8.3 43.4 235 253 A R S < S- 0 0 9 -4,-1.7 -8,-0.2 -6,-0.2 -9,-0.1 -0.154 79.2-100.8 -55.5 144.8 13.4 7.9 39.9 236 254 A I - 0 0 21 -10,-1.7 2,-0.2 -13,-0.1 -1,-0.1 -0.366 36.9-133.7 -65.1 147.0 14.1 11.1 38.0 237 255 A T >> - 0 0 76 -3,-0.1 4,-2.2 1,-0.1 3,-0.9 -0.603 22.1-106.1-100.2 164.5 11.6 12.1 35.4 238 256 A I H 3> S+ 0 0 12 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.919 117.8 57.4 -56.5 -47.4 12.3 13.2 31.9 239 257 A P H 34 S+ 0 0 71 0, 0.0 -1,-0.3 0, 0.0 4,-0.2 0.833 112.7 44.1 -54.4 -27.9 11.5 16.9 32.5 240 258 A D H X4 S+ 0 0 89 -3,-0.9 3,-1.3 2,-0.2 4,-0.4 0.795 103.7 60.0 -86.7 -34.7 14.2 16.8 35.2 241 259 A I H >< S+ 0 0 0 -4,-2.2 3,-1.8 1,-0.2 6,-0.2 0.909 100.2 62.2 -52.0 -37.1 16.7 14.8 33.1 242 260 A K T 3< S+ 0 0 67 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.706 102.6 47.6 -62.7 -26.0 16.3 17.9 31.0 243 261 A K T < S+ 0 0 140 -3,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.371 85.9 123.8 -93.1 -1.0 17.6 20.1 33.8 244 262 A D <> - 0 0 6 -3,-1.8 4,-1.6 -4,-0.4 5,-0.1 -0.308 65.1-130.0 -64.6 142.9 20.6 17.8 34.5 245 263 A R T 4 S+ 0 0 187 2,-0.2 4,-0.2 1,-0.2 -1,-0.1 0.910 107.4 43.3 -63.3 -45.0 24.1 19.3 34.4 246 264 A W T >4 S+ 0 0 1 -27,-0.4 3,-1.6 1,-0.2 -1,-0.2 0.913 110.3 58.2 -65.7 -41.2 25.7 16.7 32.1 247 265 A Y T 34 S+ 0 0 18 1,-0.3 -1,-0.2 -6,-0.2 -2,-0.2 0.858 114.7 37.1 -52.9 -37.5 22.6 16.8 29.9 248 266 A N T 3< S+ 0 0 96 -4,-1.6 -1,-0.3 -3,-0.1 -2,-0.2 0.257 90.0 119.7-102.3 12.5 23.2 20.5 29.5 249 267 A K < - 0 0 76 -3,-1.6 2,-0.2 -4,-0.2 -3,-0.0 -0.646 66.5-124.0 -81.8 125.0 27.0 20.4 29.3 250 268 A P - 0 0 121 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 -0.503 40.0-163.7 -67.7 135.1 28.4 21.7 26.0 251 269 A L 0 0 47 -2,-0.2 0, 0.0 -164,-0.1 0, 0.0 -0.950 360.0 360.0-136.7 148.6 30.6 19.0 24.4 252 270 A K 0 0 228 -2,-0.4 -166,-0.0 0, 0.0 -164,-0.0 -0.925 360.0 360.0 128.1 360.0 33.3 18.1 21.9