==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 03-JUL-09 2WMW . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE CHK1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.P.MATTHEWS,S.KLAIR,S.BURNS,K.BOXALL,M.CHERRY,M.FISHER, . 247 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12488.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 169 68.4 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 17.4 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 . 2 0.8 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-3), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 26.3 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 2 0 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 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 159 0, 0.0 2,-0.3 0, 0.0 16,-0.0 0.000 360.0 360.0 360.0 148.7 4.4 1.0 -7.5 2 8 A D - 0 0 95 15,-0.1 16,-3.1 1,-0.0 2,-0.4 -0.527 360.0-166.8 -83.5 131.1 7.0 -1.8 -7.7 3 9 A W E -A 17 0A 71 -2,-0.3 2,-0.5 14,-0.2 14,-0.2 -0.933 12.5-141.8-115.6 134.8 9.6 -2.2 -5.0 4 10 A D E -A 16 0A 90 12,-2.9 12,-2.4 -2,-0.4 2,-1.4 -0.829 13.0-135.8 -96.3 131.3 12.7 -4.5 -5.3 5 11 A L E +A 15 0A 80 -2,-0.5 10,-0.2 10,-0.2 3,-0.1 -0.671 27.7 179.4 -84.6 86.8 13.7 -6.4 -2.3 6 12 A V E - 0 0 86 -2,-1.4 2,-0.3 8,-1.0 -1,-0.2 0.937 54.7 -26.3 -53.1 -59.5 17.5 -5.8 -2.5 7 13 A Q E -A 14 0A 102 7,-0.8 7,-2.9 0, 0.0 2,-0.4 -0.976 63.8 -91.6-156.4 163.0 18.7 -7.7 0.6 8 14 A T E -A 13 0A 91 -2,-0.3 5,-0.3 5,-0.2 -3,-0.0 -0.697 30.1-178.8 -84.4 133.3 17.8 -9.0 4.0 9 15 A L 0 0 72 3,-3.1 4,-0.2 -2,-0.4 -1,-0.1 0.777 360.0 360.0-101.1 -36.8 18.7 -6.6 6.9 10 16 A G 0 0 82 2,-1.6 -1,-0.3 0, 0.0 0, 0.0 -0.997 360.0 360.0-138.6 360.0 17.6 -8.6 10.0 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 23 A V 0 0 61 0, 0.0 -3,-3.1 0, 0.0 -2,-1.6 0.000 360.0 360.0 360.0 132.8 13.2 -7.4 7.5 13 24 A Q E -AB 8 26A 47 13,-2.1 13,-2.4 -5,-0.3 2,-0.4 -0.935 360.0-118.7-124.4 145.5 14.4 -6.6 4.0 14 25 A L E -AB 7 25A 15 -7,-2.9 -8,-1.0 -2,-0.4 -7,-0.8 -0.665 34.5-163.1 -78.4 128.1 15.7 -3.4 2.3 15 26 A A E -AB 5 24A 0 9,-3.8 9,-2.7 -2,-0.4 2,-0.4 -0.925 8.7-163.4-119.3 140.4 13.4 -2.3 -0.4 16 27 A V E -AB 4 23A 31 -12,-2.4 -12,-2.9 -2,-0.4 7,-0.2 -0.986 26.1-116.0-125.4 129.3 14.1 0.1 -3.3 17 28 A N E > -A 3 0A 6 5,-2.6 4,-1.4 -2,-0.4 -14,-0.2 -0.415 15.7-138.6 -66.6 129.3 11.5 1.8 -5.4 18 29 A R T 4 S+ 0 0 172 -16,-3.1 -1,-0.1 -2,-0.2 -15,-0.1 0.852 99.2 25.9 -54.2 -40.1 11.6 0.8 -9.1 19 30 A V T 4 S+ 0 0 101 -17,-0.3 -1,-0.2 1,-0.0 -16,-0.1 0.911 135.2 26.3 -91.7 -50.6 11.0 4.4 -10.3 20 31 A T T 4 S- 0 0 65 2,-0.1 -2,-0.1 1,-0.0 3,-0.1 0.685 88.4-138.0 -90.8 -23.1 12.2 6.8 -7.5 21 32 A E < + 0 0 149 -4,-1.4 -3,-0.1 1,-0.2 2,-0.1 0.621 44.4 159.3 69.5 15.0 14.8 4.4 -6.0 22 33 A E - 0 0 123 -6,-0.1 -5,-2.6 1,-0.1 2,-0.4 -0.386 35.2-129.9 -63.7 145.8 13.8 5.5 -2.5 23 34 A A E +B 16 0A 42 -7,-0.2 44,-0.6 -3,-0.1 2,-0.3 -0.826 33.0 162.2-104.5 140.2 14.8 3.0 0.1 24 35 A V E -BC 15 66A 9 -9,-2.7 -9,-3.8 -2,-0.4 2,-0.4 -0.916 32.9-117.1-142.3 171.8 12.5 1.5 2.8 25 36 A A E -BC 14 65A 9 40,-2.9 40,-3.3 -2,-0.3 2,-0.5 -0.929 20.8-156.3-115.4 138.7 12.5 -1.5 5.2 26 37 A V E -BC 13 64A 3 -13,-2.4 -13,-2.1 -2,-0.4 2,-0.6 -0.950 4.2-153.6-123.2 117.1 9.9 -4.2 5.0 27 38 A K E - C 0 63A 32 36,-2.1 36,-2.1 -2,-0.5 2,-0.7 -0.791 12.8-159.9 -89.2 118.6 9.0 -6.3 8.0 28 39 A I E + C 0 62A 67 -2,-0.6 2,-0.5 34,-0.2 34,-0.2 -0.883 16.8 170.4-106.2 107.5 7.7 -9.6 6.8 29 40 A V E - C 0 61A 53 32,-2.1 32,-2.1 -2,-0.7 2,-0.4 -0.961 19.5-154.5-123.2 120.0 5.7 -11.5 9.5 30 41 A D 0 0 134 -2,-0.5 -2,-0.0 30,-0.2 32,-0.0 -0.784 360.0 360.0 -93.8 132.2 3.6 -14.7 8.8 31 42 A M 0 0 160 -2,-0.4 -1,-0.2 3,-0.0 0, 0.0 0.943 360.0 360.0 -94.4 360.0 0.7 -15.3 11.1 32 ! 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 33 51 A N > 0 0 132 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -50.4 0.9 -8.5 18.5 34 52 A I H > + 0 0 19 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.852 360.0 53.8 -71.4 -36.3 1.1 -7.5 14.9 35 53 A K H > S+ 0 0 168 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.881 113.1 44.6 -64.8 -38.0 -2.3 -5.7 14.8 36 54 A K H > S+ 0 0 75 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.873 107.5 58.1 -73.3 -39.4 -1.2 -3.6 17.8 37 55 A E H X S+ 0 0 7 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.907 112.5 41.6 -54.2 -42.9 2.2 -3.0 16.2 38 56 A I H X S+ 0 0 15 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.910 112.5 53.3 -72.5 -45.6 0.5 -1.4 13.2 39 57 A C H X S+ 0 0 76 -4,-2.2 4,-0.6 2,-0.2 -2,-0.2 0.937 113.7 43.4 -51.9 -51.6 -2.1 0.4 15.3 40 58 A I H >X S+ 0 0 3 -4,-3.1 3,-1.6 1,-0.2 4,-0.7 0.934 109.8 55.5 -63.9 -48.1 0.7 2.0 17.4 41 59 A N H >< S+ 0 0 5 -4,-2.3 3,-1.0 -5,-0.3 11,-0.3 0.841 99.6 62.7 -53.4 -34.1 2.8 2.8 14.3 42 60 A K H 3< S+ 0 0 151 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.769 103.1 49.2 -65.1 -25.7 -0.1 4.7 12.8 43 61 A M H << S+ 0 0 83 -3,-1.6 2,-0.5 -4,-0.6 -1,-0.2 0.612 91.8 101.1 -84.1 -14.2 -0.0 7.2 15.7 44 62 A L << + 0 0 13 -3,-1.0 8,-0.5 -4,-0.7 2,-0.3 -0.634 31.7 154.4 -89.6 119.6 3.7 7.8 15.5 45 63 A N + 0 0 117 -2,-0.5 2,-0.3 6,-0.1 5,-0.1 -0.721 26.8 120.9-138.8 93.5 5.2 10.9 13.9 46 64 A H > - 0 0 26 3,-0.3 3,-1.7 -2,-0.3 52,-0.0 -0.998 61.7-127.3-154.1 145.9 8.7 12.0 15.1 47 65 A E T 3 S+ 0 0 118 -2,-0.3 4,-0.1 1,-0.3 51,-0.1 0.637 113.1 49.4 -67.8 -13.9 12.2 12.6 13.8 48 66 A N T 3 S+ 0 0 12 78,-0.1 79,-2.5 49,-0.1 2,-0.4 0.114 102.0 73.2-112.4 17.2 13.6 10.2 16.5 49 67 A V B < S-e 127 0B 2 -3,-1.7 -3,-0.3 77,-0.3 79,-0.2 -0.993 94.8 -99.6-129.2 137.9 11.2 7.4 15.9 50 68 A V - 0 0 10 77,-2.9 2,-0.1 -2,-0.4 -6,-0.1 -0.380 46.1-117.6 -56.2 123.4 11.2 5.1 12.9 51 69 A K - 0 0 66 -2,-0.2 15,-3.0 -4,-0.1 2,-0.6 -0.388 17.0-141.3 -70.8 138.6 8.6 6.3 10.3 52 70 A F E +D 65 0A 36 -8,-0.5 13,-0.2 -11,-0.3 3,-0.1 -0.907 22.0 174.4-100.2 120.4 5.7 4.1 9.4 53 71 A Y E - 0 0 123 11,-3.8 2,-0.3 -2,-0.6 12,-0.2 0.872 52.6 -77.1 -91.0 -45.2 4.8 4.2 5.7 54 72 A G E -D 64 0A 18 10,-1.1 10,-3.3 2,-0.0 -1,-0.3 -0.989 35.8-111.1 171.8-166.0 2.1 1.5 5.6 55 73 A H E -D 63 0A 91 -2,-0.3 2,-0.4 8,-0.2 8,-0.2 -0.993 9.2-151.1-155.6 153.3 1.1 -2.2 5.5 56 74 A R E -D 62 0A 44 6,-1.6 6,-1.9 -2,-0.3 2,-1.3 -0.990 11.1-146.9-133.6 127.3 -0.3 -4.8 3.1 57 75 A R E D 61 0A 84 -2,-0.4 4,-0.2 4,-0.2 -2,-0.0 -0.667 360.0 360.0 -93.9 83.3 -2.3 -7.9 4.2 58 76 A E 0 0 95 -2,-1.3 -2,-0.0 2,-0.8 -1,-0.0 -0.575 360.0 360.0 -77.4 360.0 -1.3 -10.4 1.5 59 ! 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 60 79 A I 0 0 60 0, 0.0 -2,-0.8 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 131.4 1.7 -13.0 5.7 61 80 A Q E -CD 29 57A 19 -32,-2.1 -32,-2.1 -4,-0.2 2,-0.5 -0.938 360.0-149.4-128.3 143.0 1.9 -9.2 6.5 62 81 A Y E -CD 28 56A 78 -6,-1.9 -6,-1.6 -2,-0.3 2,-0.5 -0.938 6.7-166.8-118.7 120.7 4.1 -6.4 5.2 63 82 A L E -CD 27 55A 0 -36,-2.1 -36,-2.1 -2,-0.5 2,-0.8 -0.922 11.9-149.0-108.4 126.8 5.1 -3.4 7.2 64 83 A F E +CD 26 54A 54 -10,-3.3 -11,-3.8 -2,-0.5 -10,-1.1 -0.832 29.0 170.9 -98.5 108.3 6.7 -0.5 5.4 65 84 A L E -CD 25 52A 20 -40,-3.3 -40,-2.9 -2,-0.8 -13,-0.2 -0.842 40.8 -85.5-123.6 149.7 9.1 1.3 7.8 66 85 A E E -C 24 0A 23 -15,-3.0 2,-0.4 -2,-0.3 -42,-0.2 -0.217 44.9-127.2 -53.3 139.3 11.7 4.0 7.4 67 86 A Y - 0 0 59 -44,-0.6 2,-0.7 -52,-0.1 -44,-0.1 -0.785 16.6-158.9 -94.1 133.5 15.1 2.6 6.3 68 87 A C > - 0 0 13 -2,-0.4 3,-1.2 1,-0.1 51,-0.2 -0.893 9.5-174.4-115.9 101.1 18.1 3.5 8.5 69 88 A S T 3 S+ 0 0 68 -2,-0.7 51,-0.2 1,-0.2 -1,-0.1 0.605 77.4 74.3 -71.0 -10.5 21.4 3.1 6.5 70 89 A G T 3 S- 0 0 21 49,-2.3 -1,-0.2 1,-0.2 50,-0.2 0.791 92.6-143.8 -73.9 -27.0 23.3 3.9 9.7 71 90 A G E < -F 119 0B 28 -3,-1.2 48,-2.4 48,-0.8 -1,-0.2 -0.564 38.1 -33.7 94.0-162.0 22.6 0.6 11.3 72 91 A E E > -F 118 0B 49 46,-0.2 3,-1.4 -2,-0.2 46,-0.2 -0.614 52.2-115.9-100.2 158.5 22.1 -0.1 14.9 73 92 A L G > S+ 0 0 0 44,-2.6 3,-1.8 41,-1.0 4,-0.2 0.731 107.3 70.8 -64.9 -22.9 23.6 1.7 17.8 74 93 A F G > S+ 0 0 54 40,-0.6 3,-1.4 1,-0.3 -1,-0.3 0.809 88.4 63.5 -66.7 -26.0 25.4 -1.4 19.0 75 94 A D G < S+ 0 0 124 -3,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.373 97.6 57.6 -79.8 6.5 27.8 -1.2 16.1 76 95 A R G < S+ 0 0 87 -3,-1.8 2,-0.7 1,-0.1 -1,-0.3 0.335 89.5 86.9-112.1 0.0 29.0 2.2 17.4 77 96 A I S < S- 0 0 11 -3,-1.4 6,-0.2 -4,-0.2 -1,-0.1 -0.896 70.6-146.8-106.0 109.9 30.0 0.7 20.7 78 97 A E B >> -H 82 0C 118 4,-2.5 4,-3.0 -2,-0.7 3,-2.3 -0.631 38.5-104.9 -70.1 117.7 33.5 -0.7 20.9 79 98 A P T 34 S+ 0 0 89 0, 0.0 107,-0.2 0, 0.0 106,-0.1 -0.098 100.0 3.7 -47.0 138.5 33.2 -3.6 23.3 80 99 A D T 34 S+ 0 0 102 105,-0.9 105,-0.2 1,-0.2 106,-0.2 0.312 133.3 58.5 65.2 -8.5 34.7 -2.9 26.7 81 100 A I T <4 S- 0 0 115 -3,-2.3 2,-0.5 1,-0.2 104,-0.2 0.778 79.8-161.6-111.7 -52.1 35.5 0.6 25.6 82 101 A G B < -H 78 0C 2 -4,-3.0 -4,-2.5 102,-0.3 101,-0.2 -0.900 34.6 -64.7 106.8-128.6 32.3 2.4 24.6 83 102 A M - 0 0 23 99,-0.9 -6,-0.1 -2,-0.5 2,-0.1 -0.956 61.5 -66.0-154.2 165.6 32.4 5.5 22.4 84 103 A P >> - 0 0 80 0, 0.0 4,-1.8 0, 0.0 3,-1.4 -0.401 49.4-122.0 -59.6 136.3 33.6 9.1 22.7 85 104 A E H 3> S+ 0 0 48 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.807 108.7 60.2 -51.1 -39.1 31.6 10.9 25.3 86 105 A P H 3> S+ 0 0 59 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.860 107.7 45.0 -59.8 -35.1 30.4 13.6 22.8 87 106 A D H <> S+ 0 0 76 -3,-1.4 4,-2.5 2,-0.2 5,-0.2 0.883 110.0 55.0 -75.1 -39.3 28.7 11.0 20.6 88 107 A A H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.914 109.8 47.2 -54.1 -47.2 27.2 9.2 23.6 89 108 A Q H X S+ 0 0 17 -4,-2.3 4,-3.1 2,-0.2 -1,-0.2 0.912 110.6 50.3 -64.0 -48.8 25.6 12.5 24.7 90 109 A R H X S+ 0 0 84 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.932 112.7 46.8 -56.1 -48.3 24.2 13.4 21.3 91 110 A F H X S+ 0 0 8 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.905 112.9 49.8 -62.4 -41.9 22.6 9.9 21.0 92 111 A F H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.889 107.9 53.6 -64.6 -39.6 21.2 10.2 24.5 93 112 A H H X S+ 0 0 57 -4,-3.1 4,-2.1 2,-0.2 -2,-0.2 0.928 114.1 42.4 -55.5 -47.0 19.8 13.7 23.7 94 113 A Q H X S+ 0 0 27 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.858 111.4 54.4 -70.9 -35.6 18.0 12.1 20.7 95 114 A L H X S+ 0 0 2 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.874 110.2 47.8 -64.6 -36.4 17.0 9.1 22.7 96 115 A M H X S+ 0 0 1 -4,-2.3 4,-3.2 2,-0.2 5,-0.2 0.889 108.8 53.0 -72.3 -40.1 15.4 11.4 25.2 97 116 A A H X S+ 0 0 30 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.943 111.7 47.3 -56.1 -49.2 13.6 13.4 22.5 98 117 A G H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.928 115.0 45.1 -56.6 -48.4 12.2 10.1 21.1 99 118 A V H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.909 109.1 54.3 -69.3 -41.6 11.1 8.9 24.5 100 119 A V H X S+ 0 0 61 -4,-3.2 4,-2.1 1,-0.2 -1,-0.2 0.934 110.2 49.9 -54.9 -46.6 9.5 12.2 25.6 101 120 A Y H X S+ 0 0 51 -4,-2.1 4,-1.5 -5,-0.2 -2,-0.2 0.956 111.4 45.8 -56.4 -57.5 7.5 12.1 22.4 102 121 A L H ><>S+ 0 0 0 -4,-2.1 5,-2.7 1,-0.2 3,-0.8 0.941 115.8 45.1 -52.7 -54.6 6.2 8.5 22.9 103 122 A H H ><5S+ 0 0 8 -4,-2.7 3,-1.8 1,-0.2 -1,-0.2 0.861 106.4 64.4 -59.4 -32.1 5.3 9.1 26.6 104 123 A G H 3<5S+ 0 0 56 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.843 108.2 38.4 -59.4 -37.1 3.8 12.4 25.5 105 124 A I T <<5S- 0 0 57 -4,-1.5 -1,-0.3 -3,-0.8 -2,-0.2 0.002 125.8-100.4-103.9 27.6 1.2 10.5 23.4 106 125 A G T < 5S+ 0 0 1 -3,-1.8 30,-3.1 1,-0.2 31,-1.1 0.686 78.0 132.7 70.6 25.0 0.8 7.7 26.1 107 126 A I E < -I 135 0D 0 -5,-2.7 2,-0.5 28,-0.2 28,-0.2 -0.901 37.7-162.3-113.4 134.3 3.0 5.0 24.5 108 127 A T E -I 134 0D 0 26,-2.9 26,-2.0 -2,-0.4 60,-0.1 -0.958 10.0-156.6-113.1 132.0 5.7 3.0 26.2 109 128 A H - 0 0 1 -2,-0.5 23,-0.2 24,-0.2 -1,-0.1 0.935 17.0-167.5 -68.8 -47.0 8.2 1.1 24.0 110 129 A R S S+ 0 0 24 57,-0.1 -1,-0.1 23,-0.1 39,-0.1 0.386 71.0 61.1 76.5 -3.9 9.0 -1.5 26.8 111 130 A D + 0 0 17 39,-0.1 2,-0.5 18,-0.1 5,-0.1 -0.110 62.5 165.3-146.2 46.1 12.1 -2.8 25.0 112 131 A I + 0 0 3 42,-0.1 39,-0.1 3,-0.1 66,-0.1 -0.530 20.5 131.6 -72.8 118.6 14.6 -0.0 24.7 113 132 A K S > S- 0 0 35 -2,-0.5 3,-2.4 64,-0.1 -40,-0.1 -0.962 70.9 -95.1-160.6 160.3 18.1 -1.4 23.9 114 133 A P G > S+ 0 0 0 0, 0.0 3,-1.3 0, 0.0 -41,-1.0 0.776 120.0 64.9 -59.3 -26.8 20.8 -0.6 21.3 115 134 A E G 3 S+ 0 0 73 1,-0.2 -3,-0.1 -42,-0.2 3,-0.0 0.712 107.3 42.7 -62.9 -21.6 19.5 -3.3 19.0 116 135 A N G < S+ 0 0 16 -3,-2.4 12,-2.2 -5,-0.1 2,-0.6 0.143 95.9 87.8-112.3 15.2 16.3 -1.2 18.7 117 136 A L E < - G 0 127B 0 -3,-1.3 -44,-2.6 10,-0.2 -43,-0.2 -0.949 63.0-173.0-114.3 108.3 18.1 2.1 18.3 118 137 A L E -FG 72 126B 40 8,-2.7 8,-2.6 -2,-0.6 2,-0.4 -0.570 15.0-138.7-103.4 164.9 18.9 2.8 14.7 119 138 A L E -FG 71 125B 0 -48,-2.4 -49,-2.3 -51,-0.2 -48,-0.8 -0.962 9.3-151.7-124.1 135.9 20.9 5.4 12.9 120 139 A D > - 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0 0 36 -2,-2.2 6,-0.2 -3,-0.3 5,-0.1 -0.926 49.2-145.5-106.6 119.5 17.6 4.1 41.3 229 248 A E S S+ 0 0 62 -2,-0.5 -71,-0.2 1,-0.1 -1,-0.1 0.808 84.1 74.3 -59.8 -39.6 15.8 0.9 42.5 230 249 A N S >> S- 0 0 87 1,-0.2 4,-1.9 -73,-0.1 3,-1.5 -0.725 72.4-155.0 -77.5 107.9 12.8 2.7 43.8 231 250 A P T 34 S+ 0 0 36 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.655 94.5 56.3 -56.2 -19.2 10.8 3.8 40.6 232 251 A S T 34 S+ 0 0 104 1,-0.1 -3,-0.1 -3,-0.0 -2,-0.0 0.744 111.6 40.4 -86.8 -25.3 9.3 6.6 42.7 233 252 A A T <4 S+ 0 0 66 -3,-1.5 -1,-0.1 -5,-0.1 3,-0.1 0.662 92.5 112.1 -92.5 -19.4 12.6 8.0 43.6 234 253 A R S < S- 0 0 9 -4,-1.9 -8,-0.2 -6,-0.2 -9,-0.1 -0.174 80.2 -98.7 -52.5 141.0 14.0 7.4 40.1 235 254 A I - 0 0 21 -10,-2.2 2,-0.2 -13,-0.1 -1,-0.1 -0.280 36.6-134.2 -59.8 146.4 14.8 10.6 38.2 236 255 A T >> - 0 0 74 -3,-0.1 4,-1.3 1,-0.1 3,-0.7 -0.638 22.7-106.6 -98.6 164.9 12.2 11.7 35.6 237 256 A I H 3> S+ 0 0 15 1,-0.3 4,-1.9 -2,-0.2 3,-0.4 0.868 117.4 55.4 -60.1 -41.8 12.8 12.9 32.1 238 257 A P H 34 S+ 0 0 76 0, 0.0 -1,-0.3 0, 0.0 -3,-0.0 0.844 111.6 45.9 -62.2 -29.2 12.2 16.5 32.8 239 258 A D H X4 S+ 0 0 72 -3,-0.7 3,-0.6 2,-0.2 4,-0.2 0.684 105.2 59.0 -87.0 -19.2 14.8 16.4 35.5 240 259 A I H >< S+ 0 0 2 -4,-1.3 3,-1.9 -3,-0.4 6,-0.2 0.905 99.9 59.6 -67.1 -43.4 17.3 14.5 33.3 241 260 A K T 3< S+ 0 0 83 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.500 106.4 47.0 -62.6 -8.7 17.0 17.5 31.0 242 261 A K T < S+ 0 0 141 -3,-0.6 -1,-0.3 -5,-0.1 -2,-0.2 0.406 86.6 119.9-110.7 -6.2 18.3 19.7 33.8 243 262 A D <> - 0 0 7 -3,-1.9 4,-1.1 -4,-0.2 -3,-0.1 -0.194 69.7-123.1 -59.8 152.8 21.1 17.3 34.7 244 263 A R T 4 S+ 0 0 184 1,-0.2 -1,-0.1 2,-0.2 3,-0.1 0.875 107.8 43.6 -71.7 -41.1 24.6 18.8 34.5 245 264 A W T >4 S+ 0 0 1 -27,-0.4 3,-1.1 1,-0.2 -1,-0.2 0.824 108.9 61.1 -71.4 -30.9 26.2 16.3 32.1 246 265 A Y T 34 S+ 0 0 17 1,-0.3 -1,-0.2 -6,-0.2 -2,-0.2 0.849 112.1 37.4 -64.2 -33.6 23.1 16.5 30.0 247 266 A N T 3< S+ 0 0 98 -4,-1.1 -1,-0.3 -3,-0.1 -2,-0.2 0.202 90.7 121.3-103.2 14.6 23.7 20.2 29.5 248 267 A K < - 0 0 78 -3,-1.1 2,-0.4 1,-0.1 -3,-0.1 -0.636 66.7-121.9 -82.1 130.2 27.5 20.0 29.3 249 268 A P 0 0 123 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.603 360.0 360.0 -70.8 122.9 29.1 21.4 26.1 250 269 A L 0 0 87 -2,-0.4 0, 0.0 -164,-0.1 0, 0.0 -0.945 360.0 360.0-133.2 360.0 31.1 18.5 24.6