==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 06-JUN-11 2YM4 . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE CHK1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.C.READER,T.P.MATTHEWS,S.KLAIR,K.M.J.CHEUNG,J.SCANLON,N.PRO . 251 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13073.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 162 64.5 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 . 42 16.7 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 . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 14 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 25.9 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 1 0 1 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 4 1 0 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 4 A P 0 0 140 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 172.0 3.7 6.1 -14.3 2 5 A F > + 0 0 117 1,-0.1 3,-1.5 24,-0.0 25,-0.4 0.387 360.0 127.3 87.2 -0.9 5.4 3.5 -12.2 3 6 A V T 3 + 0 0 84 1,-0.3 25,-0.2 23,-0.1 24,-0.1 0.722 66.9 58.4 -67.9 -22.1 5.6 5.5 -8.9 4 7 A E T 3 S+ 0 0 169 21,-0.1 2,-0.4 22,-0.1 -1,-0.3 0.613 85.9 101.9 -80.0 -10.9 4.0 2.9 -6.7 5 8 A D < - 0 0 84 -3,-1.5 21,-2.7 20,-0.0 2,-0.4 -0.628 47.9-177.2 -90.8 126.3 6.5 0.3 -7.5 6 9 A W E -A 25 0A 78 -2,-0.4 2,-0.5 19,-0.2 19,-0.2 -0.932 17.2-143.3-119.6 140.4 9.4 -0.6 -5.1 7 10 A D E -A 24 0A 92 17,-2.9 17,-2.3 -2,-0.4 2,-0.5 -0.883 17.2-134.0 -99.6 130.3 12.2 -3.1 -5.5 8 11 A L E +A 23 0A 93 -2,-0.5 15,-0.2 15,-0.2 3,-0.1 -0.731 27.9 177.0 -82.8 128.5 13.4 -5.0 -2.5 9 12 A V E - 0 0 88 13,-3.2 2,-0.3 -2,-0.5 -1,-0.1 0.776 52.7 -17.1-111.4 -35.4 17.1 -4.8 -2.4 10 13 A Q E - 0 0 110 12,-0.4 12,-2.0 0, 0.0 -1,-0.4 -0.934 66.0 -97.1-170.0 150.1 18.4 -6.6 0.7 11 14 A T E -A 21 0A 73 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.595 29.8-167.0 -72.4 129.8 17.3 -7.9 4.1 12 15 A L E - 0 0 66 8,-2.7 2,-0.2 -2,-0.3 9,-0.2 0.744 58.3 -43.4 -91.2 -26.3 18.1 -5.3 6.8 13 16 A G E -A 20 0A 34 7,-1.2 7,-2.4 2,-0.0 -1,-0.3 -0.837 53.7-113.4 163.6 158.5 17.5 -7.4 9.9 14 17 A E + 0 0 92 -2,-0.2 2,-0.2 5,-0.2 5,-0.1 0.140 29.2 155.5 -95.5-155.9 15.2 -10.0 11.5 15 18 A G > - 0 0 48 2,-0.1 3,-0.8 1,-0.1 -2,-0.0 -0.617 55.9-104.5 146.8 155.5 12.9 -10.2 14.5 16 19 A A T 3 S+ 0 0 124 1,-0.2 3,-0.1 -2,-0.2 -1,-0.1 0.015 124.3 64.7 -91.1 22.2 9.9 -12.0 16.0 17 20 A Y T 3 S- 0 0 34 1,-0.3 -1,-0.2 19,-0.0 2,-0.1 0.228 126.4 -92.6-108.8 -4.1 8.3 -8.8 15.0 18 21 A G < - 0 0 14 -3,-0.8 -1,-0.3 17,-0.1 19,-0.2 -0.225 44.5 -59.1 116.0 160.0 9.2 -10.0 11.5 19 22 A E E - B 0 36A 75 17,-0.9 17,-2.8 -2,-0.1 2,-0.4 -0.493 47.9-145.3 -73.0 142.2 11.9 -9.8 8.8 20 23 A V E -AB 13 35A 32 -7,-2.4 -8,-2.7 15,-0.2 -7,-1.2 -0.936 15.9-171.9-116.5 133.6 12.7 -6.3 7.5 21 24 A Q E -AB 11 34A 39 13,-2.8 13,-3.1 -2,-0.4 2,-0.7 -0.825 25.5-114.6-122.9 160.1 13.7 -5.5 3.9 22 25 A L E - B 0 33A 13 -12,-2.0 -13,-3.2 -2,-0.3 -12,-0.4 -0.841 29.6-166.9 -97.4 113.9 15.0 -2.5 2.0 23 26 A A E -AB 8 32A 0 9,-2.6 9,-2.4 -2,-0.7 2,-0.4 -0.831 2.6-169.4 -99.6 136.8 12.6 -1.1 -0.6 24 27 A V E -AB 7 31A 34 -17,-2.3 -17,-2.9 -2,-0.4 2,-0.4 -0.987 28.5-111.6-123.6 136.6 13.8 1.4 -3.2 25 28 A N E > -A 6 0A 4 5,-2.7 4,-2.4 -2,-0.4 -19,-0.2 -0.521 14.4-142.8 -73.1 122.0 11.4 3.3 -5.5 26 29 A R T 4 S+ 0 0 120 -21,-2.7 -1,-0.1 -2,-0.4 -23,-0.1 0.893 99.7 25.8 -38.8 -52.9 11.6 2.3 -9.2 27 30 A V T 4 S+ 0 0 71 -25,-0.4 -1,-0.2 -22,-0.4 -24,-0.1 0.909 134.4 28.1 -88.0 -47.7 11.0 5.9 -10.2 28 31 A T T 4 S- 0 0 76 -25,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.583 86.3-137.8 -96.6 -12.3 12.3 8.1 -7.4 29 32 A E < + 0 0 156 -4,-2.4 2,-0.1 1,-0.2 -3,-0.1 0.667 47.8 156.8 58.7 15.7 14.9 5.8 -6.0 30 33 A E - 0 0 97 -6,-0.1 -5,-2.7 1,-0.0 2,-0.5 -0.454 35.4-135.2 -64.3 145.1 13.7 6.9 -2.6 31 34 A A E +B 24 0A 35 -7,-0.2 38,-0.7 -2,-0.1 2,-0.3 -0.925 29.9 164.5-115.6 126.7 14.5 4.3 0.1 32 35 A V E -BC 23 68A 2 -9,-2.4 -9,-2.6 -2,-0.5 2,-0.5 -0.864 35.0-115.2-127.9 165.8 12.2 2.9 2.8 33 36 A A E -BC 22 67A 10 34,-3.2 34,-2.9 -2,-0.3 2,-0.6 -0.904 24.6-153.5-105.1 129.0 12.2 -0.1 5.1 34 37 A V E -BC 21 66A 4 -13,-3.1 -13,-2.8 -2,-0.5 2,-0.3 -0.895 4.4-148.4-108.2 119.8 9.5 -2.7 4.7 35 38 A K E -BC 20 65A 12 30,-2.6 30,-1.3 -2,-0.6 2,-0.6 -0.672 12.2-149.5 -85.0 136.2 8.5 -4.9 7.6 36 39 A I E BC 19 64A 51 -17,-2.8 -17,-0.9 -2,-0.3 28,-0.2 -0.906 360.0 360.0-116.3 109.9 7.3 -8.4 6.8 37 40 A V 0 0 93 26,-1.8 -1,-0.1 -2,-0.6 27,-0.1 0.418 360.0 360.0-139.6 360.0 4.7 -10.2 8.9 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 51 A N > 0 0 162 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -85.5 -0.6 -6.9 18.4 40 52 A I H > + 0 0 55 1,-0.2 4,-1.1 2,-0.2 5,-0.1 0.706 360.0 54.6 -72.1 -19.8 0.5 -6.1 14.9 41 53 A K H > S+ 0 0 170 2,-0.2 4,-1.8 1,-0.1 -1,-0.2 0.769 105.9 51.9 -80.7 -27.4 -2.6 -4.0 14.7 42 54 A K H > S+ 0 0 87 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.892 106.3 52.3 -74.4 -42.3 -1.5 -2.1 17.8 43 55 A E H X S+ 0 0 11 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.906 112.9 45.7 -58.9 -42.9 2.0 -1.4 16.3 44 56 A I H X S+ 0 0 10 -4,-1.1 4,-1.3 2,-0.2 -1,-0.2 0.884 112.7 50.2 -68.4 -40.2 0.3 0.1 13.2 45 57 A C H < S+ 0 0 75 -4,-1.8 4,-0.5 2,-0.2 -2,-0.2 0.919 113.3 45.2 -63.3 -45.4 -2.2 2.1 15.2 46 58 A I H >X S+ 0 0 3 -4,-2.9 3,-1.3 1,-0.2 4,-0.7 0.891 108.2 57.0 -68.1 -40.7 0.5 3.6 17.4 47 59 A N H >< S+ 0 0 5 -4,-2.2 3,-0.8 1,-0.3 11,-0.3 0.830 99.5 61.3 -55.7 -34.3 2.7 4.3 14.4 48 60 A K T 3< S+ 0 0 131 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.705 101.2 52.2 -70.4 -20.2 -0.1 6.4 12.9 49 61 A M T <4 S+ 0 0 84 -3,-1.3 2,-0.4 -4,-0.5 -1,-0.2 0.691 92.7 97.2 -82.6 -20.9 -0.1 8.8 15.9 50 62 A L << + 0 0 8 -3,-0.8 8,-0.5 -4,-0.7 2,-0.3 -0.604 33.5 150.9 -91.3 122.1 3.7 9.4 15.6 51 63 A N + 0 0 112 -2,-0.4 2,-0.3 6,-0.1 5,-0.1 -0.816 27.1 120.7-144.9 102.7 5.3 12.4 13.8 52 64 A H > - 0 0 58 3,-0.4 3,-1.8 -2,-0.3 48,-0.0 -0.976 64.4-118.7-165.0 146.8 8.6 13.6 15.1 53 65 A E T 3 S+ 0 0 156 -2,-0.3 4,-0.1 1,-0.3 -1,-0.1 0.774 115.2 46.6 -60.6 -27.1 12.2 14.2 13.9 54 66 A N T 3 S+ 0 0 15 74,-0.1 75,-2.5 45,-0.1 2,-0.4 0.087 100.4 77.3-108.2 21.9 13.5 11.7 16.5 55 67 A V B < S-e 129 0B 3 -3,-1.8 -3,-0.4 73,-0.3 75,-0.2 -0.999 93.7-100.3-128.6 135.4 11.0 8.9 15.8 56 68 A V - 0 0 9 73,-2.2 2,-0.2 -2,-0.4 -2,-0.1 -0.316 47.1-116.9 -55.7 125.0 11.2 6.5 12.9 57 69 A K - 0 0 73 -4,-0.1 11,-2.0 -2,-0.1 2,-0.5 -0.426 19.0-143.5 -73.1 134.7 8.6 7.8 10.3 58 70 A F E +D 67 0A 18 -8,-0.5 9,-0.2 -11,-0.3 3,-0.1 -0.840 18.3 178.6 -98.7 130.7 5.7 5.7 9.4 59 71 A Y E - 0 0 102 7,-3.5 2,-0.3 -2,-0.5 8,-0.2 0.740 48.7 -87.3-103.3 -30.3 4.6 5.9 5.7 60 72 A G E D 66 0A 20 6,-1.0 6,-2.7 1,-0.1 -1,-0.4 -0.981 360.0 360.0 154.4-163.6 1.7 3.5 5.5 61 73 A H 0 0 109 -2,-0.3 3,-0.4 4,-0.2 -1,-0.1 0.281 360.0 360.0-163.8 360.0 0.7 -0.2 5.0 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 80 A Q 0 0 102 0, 0.0 -26,-1.8 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 151.9 1.5 -7.6 6.1 64 81 A Y E -C 36 0A 130 -3,-0.4 2,-0.5 -28,-0.2 -28,-0.2 -0.969 360.0-171.5-120.4 118.8 3.7 -4.7 4.9 65 82 A L E -C 35 0A 0 -30,-1.3 -30,-2.6 -2,-0.5 2,-0.7 -0.941 15.2-146.4-105.7 130.9 4.7 -1.8 7.2 66 83 A F E +CD 34 60A 51 -6,-2.7 -7,-3.5 -2,-0.5 -6,-1.0 -0.847 28.0 168.7-102.1 112.9 6.4 1.1 5.5 67 84 A L E -CD 33 58A 25 -34,-2.9 -34,-3.2 -2,-0.7 -9,-0.2 -0.806 40.6 -83.1-125.1 160.1 9.0 2.8 7.7 68 85 A E E -C 32 0A 29 -11,-2.0 2,-0.5 -2,-0.3 -36,-0.2 -0.389 41.7-128.0 -62.5 128.0 11.8 5.4 7.4 69 86 A Y - 0 0 67 -38,-0.7 2,-0.8 -2,-0.2 -38,-0.1 -0.692 18.4-159.9 -78.7 123.4 15.0 3.9 6.2 70 87 A C > - 0 0 11 -2,-0.5 3,-1.8 1,-0.1 51,-0.3 -0.845 7.2-172.6-108.4 96.2 17.9 4.9 8.5 71 88 A S T 3 S+ 0 0 62 -2,-0.8 51,-0.2 1,-0.3 -1,-0.1 0.604 77.9 69.3 -65.4 -13.5 21.1 4.5 6.6 72 89 A G T 3 S- 0 0 16 49,-2.3 -1,-0.3 1,-0.3 50,-0.2 0.608 92.4-150.6 -82.2 -12.3 23.3 5.2 9.7 73 90 A G E < -F 121 0B 30 -3,-1.8 48,-2.6 48,-0.7 2,-0.3 -0.426 42.2 -14.8 77.1-150.0 22.2 1.9 11.2 74 91 A E E > -F 120 0B 69 46,-0.2 3,-1.7 1,-0.1 46,-0.2 -0.626 45.6-133.3 -95.7 145.5 22.0 1.3 15.0 75 92 A L G > S+ 0 0 1 44,-2.8 3,-2.2 41,-0.8 4,-0.2 0.811 106.1 74.8 -55.3 -30.0 23.4 3.5 17.8 76 93 A F G > S+ 0 0 96 40,-1.1 3,-0.7 43,-0.3 -1,-0.3 0.784 91.1 53.7 -55.1 -29.8 24.6 0.1 19.0 77 94 A D G < S+ 0 0 117 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.371 98.2 61.1 -93.3 4.2 27.3 0.1 16.3 78 95 A R G < S+ 0 0 83 -3,-2.2 2,-0.7 -4,-0.1 -1,-0.2 0.214 86.9 93.4-106.4 10.0 28.8 3.5 17.3 79 96 A I < - 0 0 25 -3,-0.7 6,-0.2 -4,-0.2 105,-0.1 -0.908 68.6-150.1-106.8 108.2 29.6 2.1 20.7 80 97 A E B >> -H 84 0C 117 4,-2.5 4,-3.3 -2,-0.7 3,-2.0 -0.678 33.5-104.6 -75.2 121.7 33.1 0.7 21.0 81 98 A P T 34 S+ 0 0 90 0, 0.0 107,-0.2 0, 0.0 106,-0.1 -0.163 99.6 0.6 -47.6 133.0 33.1 -2.2 23.5 82 99 A D T 34 S+ 0 0 98 105,-2.6 105,-0.2 1,-0.2 106,-0.1 0.340 135.1 57.0 67.9 -5.6 34.7 -1.3 26.9 83 100 A I T <4 S- 0 0 113 -3,-2.0 2,-0.6 104,-0.2 104,-0.3 0.726 77.4-166.9-115.4 -52.5 35.3 2.3 25.6 84 101 A G B < -H 80 0C 2 -4,-3.3 -4,-2.5 102,-0.3 101,-0.2 -0.875 38.5 -63.9 101.3-120.7 32.0 3.7 24.5 85 102 A M - 0 0 23 99,-1.0 2,-0.1 -2,-0.6 -6,-0.1 -0.963 61.7 -61.1-157.9 171.8 32.2 6.9 22.5 86 103 A P >> - 0 0 77 0, 0.0 4,-1.8 0, 0.0 3,-1.3 -0.415 49.1-124.6 -62.3 131.5 33.4 10.6 22.7 87 104 A E H 3> S+ 0 0 45 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.819 107.9 56.9 -47.3 -43.7 31.4 12.4 25.3 88 105 A P H 3> S+ 0 0 38 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.867 108.2 47.1 -58.8 -37.8 30.2 15.2 22.9 89 106 A D H <> S+ 0 0 73 -3,-1.3 4,-2.6 2,-0.2 -2,-0.2 0.891 111.5 51.5 -70.2 -39.5 28.6 12.6 20.6 90 107 A A H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.916 109.6 49.7 -62.3 -44.3 27.0 10.8 23.5 91 108 A Q H X S+ 0 0 17 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.930 111.1 48.9 -60.7 -47.0 25.5 14.1 24.8 92 109 A R H X S+ 0 0 73 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.926 113.3 46.5 -58.6 -48.4 24.1 14.9 21.3 93 110 A F H X S+ 0 0 8 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.882 112.6 51.0 -60.1 -40.1 22.6 11.5 21.0 94 111 A F H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.880 107.4 53.1 -66.8 -40.3 21.2 11.8 24.5 95 112 A H H X S+ 0 0 57 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.928 112.1 45.1 -56.9 -46.9 19.7 15.2 23.7 96 113 A Q H X S+ 0 0 27 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.831 111.0 53.0 -70.7 -32.7 17.9 13.6 20.6 97 114 A L H X S+ 0 0 1 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.918 109.9 48.5 -65.3 -44.5 16.8 10.6 22.6 98 115 A M H X S+ 0 0 1 -4,-2.6 4,-3.0 1,-0.2 5,-0.2 0.899 108.8 53.8 -62.1 -41.1 15.2 12.9 25.2 99 116 A A H X S+ 0 0 30 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.909 111.8 45.4 -58.8 -43.4 13.5 14.9 22.5 100 117 A G H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.890 115.0 46.0 -68.1 -40.9 12.0 11.7 21.1 101 118 A V H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 5,-0.3 0.860 109.1 55.0 -73.7 -35.2 10.9 10.4 24.5 102 119 A V H X S+ 0 0 58 -4,-3.0 4,-1.7 -5,-0.2 -1,-0.2 0.911 109.9 48.7 -60.9 -42.0 9.5 13.7 25.5 103 120 A Y H X S+ 0 0 47 -4,-1.7 4,-1.3 -5,-0.2 -2,-0.2 0.966 111.1 48.2 -60.7 -54.8 7.4 13.6 22.4 104 121 A L H ><>S+ 0 0 1 -4,-2.2 5,-2.9 1,-0.3 3,-0.7 0.910 114.5 45.1 -53.6 -49.4 6.2 10.1 23.0 105 122 A H H ><5S+ 0 0 8 -4,-2.5 3,-1.5 1,-0.2 -1,-0.3 0.821 104.9 65.2 -64.6 -31.5 5.2 10.8 26.6 106 123 A G H 3<5S+ 0 0 56 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.839 108.7 38.2 -58.0 -35.2 3.6 14.0 25.3 107 124 A I T <<5S- 0 0 54 -4,-1.3 -1,-0.3 -3,-0.7 -2,-0.2 0.072 123.5-102.7-107.4 22.0 1.1 11.9 23.4 108 125 A G T < 5S+ 0 0 0 -3,-1.5 30,-2.5 1,-0.2 31,-1.3 0.758 77.4 131.8 69.7 29.3 0.7 9.2 26.1 109 126 A I E < -I 137 0D 0 -5,-2.9 2,-0.5 28,-0.2 28,-0.2 -0.947 37.9-163.6-117.2 132.5 2.9 6.5 24.5 110 127 A T E -I 136 0D 0 26,-2.4 26,-1.9 -2,-0.4 60,-0.1 -0.961 10.2-157.2-112.3 131.2 5.6 4.5 26.1 111 128 A H - 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0 0 143 -7,-2.6 24,-0.2 -2,-0.2 -2,-0.0 -0.980 17.4-129.7-119.6 123.6 -3.1 4.0 33.5 146 163 A L - 0 0 66 -2,-0.5 2,-0.3 22,-0.1 22,-0.2 -0.253 22.0-125.8 -64.4 156.1 -0.4 2.1 35.4 147 164 A L B +K 167 0F 14 20,-2.6 20,-1.7 1,-0.1 -1,-0.1 -0.733 30.5 169.3-102.9 155.5 1.3 -0.8 33.7 148 165 A N + 0 0 99 -2,-0.3 2,-0.4 18,-0.2 -1,-0.1 0.458 46.8 97.8-140.7 -12.6 1.6 -4.4 35.0 149 166 A K S S- 0 0 125 1,-0.1 2,-0.5 0, 0.0 -2,-0.0 -0.677 75.4-117.7 -86.4 134.3 3.0 -6.5 32.2 150 167 A M + 0 0 108 -2,-0.4 2,-0.3 12,-0.0 -1,-0.1 -0.569 47.7 164.0 -69.0 118.6 6.7 -7.3 32.1 151 168 A C + 0 0 16 -2,-0.5 2,-0.3 -39,-0.1 -39,-0.1 -0.992 26.2 27.6-137.9 148.7 8.1 -5.8 28.9 152 169 A G S S- 0 0 33 -2,-0.3 2,-0.4 -39,-0.1 -39,-0.2 -0.812 87.0 -39.2 118.1-148.7 11.5 -5.0 27.5 153 170 A T >> - 0 0 36 -2,-0.3 3,-2.6 -41,-0.2 4,-1.2 -0.990 46.1-127.3-131.7 127.6 15.1 -6.2 27.9 154 171 A L G >4 S+ 0 0 83 -2,-0.4 3,-0.6 1,-0.3 -1,-0.1 0.794 105.0 50.6 -47.5 -50.4 16.6 -7.3 31.2 155 172 A P G 34 S+ 0 0 27 0, 0.0 -1,-0.3 0, 0.0 36,-0.2 0.714 119.4 40.0 -61.6 -16.1 19.7 -5.1 31.3 156 173 A Y G <4 S+ 0 0 10 -3,-2.6 -2,-0.2 36,-0.1 23,-0.2 0.555 89.2 106.6-110.7 -12.7 17.6 -2.1 30.5 157 174 A V S << S- 0 0 10 -4,-1.2 -5,-0.1 -3,-0.6 16,-0.1 -0.431 72.0-111.7 -75.0 144.1 14.5 -2.5 32.6 158 175 A A > - 0 0 0 -2,-0.1 3,-0.9 1,-0.1 4,-0.3 -0.353 24.5-118.4 -69.7 152.2 13.8 -0.5 35.7 159 176 A P T >> S+ 0 0 0 0, 0.0 3,-1.4 0, 0.0 4,-1.0 0.795 110.0 62.5 -65.3 -31.1 13.9 -2.3 39.1 160 177 A E H 3> S+ 0 0 4 71,-0.3 4,-2.4 1,-0.3 3,-0.2 0.801 94.5 64.5 -64.6 -26.8 10.3 -1.5 40.0 161 178 A L H <4 S+ 0 0 4 -3,-0.9 -1,-0.3 1,-0.2 6,-0.0 0.688 105.9 43.4 -68.8 -19.2 9.3 -3.6 36.9 162 179 A L H <4 S+ 0 0 58 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.2 0.672 125.2 30.4 -97.0 -22.8 10.8 -6.7 38.6 163 180 A K H < S+ 0 0 91 -4,-1.0 2,-0.3 -3,-0.2 -2,-0.2 0.540 106.1 74.1-117.1 -12.8 9.4 -6.2 42.1 164 181 A R < - 0 0 156 -4,-2.4 3,-0.1 -5,-0.2 0, 0.0 -0.834 59.3-150.0-112.5 144.9 6.1 -4.3 41.6 165 182 A R S S+ 0 0 184 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.884 92.2 21.4 -72.3 -41.2 2.7 -5.5 40.4 166 183 A E S S+ 0 0 82 -6,-0.0 2,-0.3 -20,-0.0 -18,-0.2 -0.918 71.8 166.7-127.3 154.4 2.0 -2.1 39.0 167 184 A F B -K 147 0F 10 -20,-1.7 -20,-2.6 -2,-0.3 2,-0.1 -0.975 39.2 -94.4-164.2 150.5 4.2 0.9 38.0 168 185 A H > - 0 0 91 -2,-0.3 4,-0.6 -22,-0.2 -22,-0.1 -0.428 29.5-139.4 -68.4 143.9 4.2 4.2 36.2 169 186 A A H > S+ 0 0 0 -24,-0.2 4,-1.3 1,-0.1 3,-0.2 0.860 90.2 60.8 -75.2 -37.8 5.3 4.0 32.6 170 187 A E H >> S+ 0 0 57 1,-0.2 4,-2.2 2,-0.2 3,-0.6 0.922 98.7 51.3 -63.7 -52.5 7.5 7.2 32.4 171 188 A P H 3> S+ 0 0 26 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.852 106.3 59.8 -53.4 -33.2 10.2 6.4 35.0 172 189 A V H 3X S+ 0 0 8 -4,-0.6 4,-2.0 1,-0.2 -2,-0.2 0.906 107.0 44.4 -62.0 -42.9 10.7 3.1 33.2 173 190 A D H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 3,-0.5 0.944 109.1 49.8 -59.5 -50.2 25.9 4.5 30.5 183 200 A A H 3X S+ 0 0 5 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.836 109.9 53.2 -58.5 -35.1 26.5 2.2 27.5 184 201 A M H 3< S+ 0 0 1 -4,-2.2 -99,-1.0 1,-0.2 -1,-0.2 0.828 115.4 37.9 -69.7 -33.4 27.4 5.2 25.4 185 202 A L H << S+ 0 0 14 -4,-1.5 -2,-0.2 -3,-0.5 -1,-0.2 0.592 131.1 23.4 -97.9 -12.4 30.0 6.5 27.8 186 203 A A H < S- 0 0 0 -4,-1.7 -102,-0.3 2,-0.2 -3,-0.2 0.488 90.7-127.0-131.7 -11.6 31.6 3.3 29.0 187 204 A G S < S+ 0 0 13 -4,-1.5 -105,-2.6 -5,-0.4 2,-0.3 0.741 79.9 81.7 67.5 23.4 30.9 0.7 26.2 188 205 A E S S- 0 0 56 -6,-0.3 -2,-0.2 -107,-0.2 -1,-0.2 -0.991 77.9-116.3-154.5 152.2 29.5 -1.8 28.7 189 206 A L - 0 0 64 -2,-0.3 -33,-0.1 1,-0.1 3,-0.1 -0.783 23.0-140.1 -90.0 135.4 26.2 -2.5 30.5 190 207 A P S S+ 0 0 8 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.793 74.8 5.8 -68.6 -32.2 26.5 -2.3 34.3 191 208 A W - 0 0 6 -36,-0.2 7,-0.0 9,-0.1 8,-0.0 -0.986 57.5-125.6-151.9 158.7 24.3 -5.3 35.2 192 209 A D S S- 0 0 125 1,-0.3 -36,-0.1 -2,-0.3 -1,-0.1 0.815 101.0 -17.0 -70.8 -31.4 22.4 -8.3 33.8 193 210 A Q S S- 0 0 61 2,-0.1 2,-1.9 -38,-0.1 -1,-0.3 -0.927 71.3-103.7-170.8 150.3 19.4 -7.0 35.6 194 211 A P S S+ 0 0 1 0, 0.0 2,-0.3 0, 0.0 -32,-0.1 -0.365 73.3 124.6 -82.6 60.4 18.6 -4.5 38.5 195 212 A S S > S- 0 0 23 -2,-1.9 3,-1.8 -33,-0.0 7,-0.2 -0.795 72.7-114.6-115.6 162.0 18.0 -7.1 41.2 196 213 A D T 3 S+ 0 0 99 1,-0.3 -1,-0.0 -2,-0.3 6,-0.0 0.486 114.1 63.7 -77.3 -1.4 19.6 -7.5 44.6 197 214 A S T 3 S+ 0 0 113 -4,-0.0 2,-0.7 1,-0.0 -1,-0.3 0.282 82.9 90.9 -99.1 6.2 21.1 -10.8 43.6 198 215 A C <> - 0 0 11 -3,-1.8 4,-2.4 1,-0.2 3,-0.3 -0.915 67.8-157.5-100.5 106.8 23.1 -8.9 41.0 199 216 A Q H > S+ 0 0 116 -2,-0.7 4,-2.8 1,-0.2 5,-0.2 0.881 91.6 55.0 -50.9 -44.3 26.4 -8.0 42.7 200 217 A E H > S+ 0 0 100 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.907 109.5 44.7 -58.5 -46.5 26.9 -5.2 40.2 201 218 A Y H > S+ 0 0 1 -3,-0.3 4,-2.0 -8,-0.3 -1,-0.2 0.879 112.6 53.0 -66.8 -36.7 23.6 -3.5 40.9 202 219 A S H X S+ 0 0 27 -4,-2.4 4,-1.3 -7,-0.2 -2,-0.2 0.913 107.8 51.1 -61.5 -44.3 24.2 -4.0 44.7 203 220 A D H <>S+ 0 0 24 -4,-2.8 5,-2.0 1,-0.2 4,-0.3 0.889 107.9 52.5 -60.9 -41.0 27.5 -2.3 44.3 204 221 A W H ><5S+ 0 0 10 -4,-1.8 3,-1.5 1,-0.2 -1,-0.2 0.910 106.2 52.5 -63.3 -43.9 25.9 0.7 42.5 205 222 A K H 3<5S+ 0 0 69 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.801 108.3 51.8 -62.3 -29.3 23.3 1.2 45.3 206 223 A E T 3<5S- 0 0 119 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.440 117.8-117.7 -88.1 -0.3 26.2 1.3 47.8 207 224 A K T < 5 + 0 0 137 -3,-1.5 2,-1.5 -4,-0.3 -3,-0.2 0.819 56.0 157.1 74.1 35.6 27.9 3.9 45.6 208 225 A K > < + 0 0 55 -5,-2.0 3,-1.3 1,-0.2 -1,-0.2 -0.542 6.1 157.8 -89.3 70.1 31.1 2.2 44.7 209 226 A T T 3 + 0 0 42 -2,-1.5 -1,-0.2 1,-0.3 -5,-0.1 0.255 56.5 81.9 -82.0 13.0 31.7 4.3 41.6 210 227 A Y T 3 S+ 0 0 154 2,-0.1 -1,-0.3 4,-0.1 2,-0.2 0.470 83.7 77.8 -90.1 -6.0 35.4 3.5 41.6 211 228 A L S <> S- 0 0 67 -3,-1.3 4,-1.7 1,-0.1 3,-0.2 -0.631 93.0 -54.2 -94.7 159.3 34.4 0.3 39.9 212 229 A N T 4 S+ 0 0 81 1,-0.3 -1,-0.1 2,-0.2 -2,-0.1 -0.396 113.5 21.1 -65.9 152.2 33.6 -0.1 36.2 213 230 A P T >4 S+ 0 0 4 0, 0.0 3,-1.9 0, 0.0 4,-0.3 -0.977 126.2 49.3 -84.4 -14.5 31.7 1.1 34.4 214 231 A W G >4 S+ 0 0 9 1,-0.3 3,-1.6 -3,-0.2 -2,-0.2 0.773 101.4 67.1 -54.9 -31.2 31.3 4.2 36.5 215 232 A K G 3< S+ 0 0 147 -4,-1.7 -1,-0.3 1,-0.3 -3,-0.2 0.850 99.3 51.0 -58.6 -34.3 35.1 4.6 36.8 216 233 A K G < S+ 0 0 65 -3,-1.9 2,-0.5 -5,-0.1 -1,-0.3 0.470 95.3 91.0 -83.4 -2.0 35.3 5.4 33.1 217 234 A I S < S- 0 0 13 -3,-1.6 -31,-0.1 -4,-0.3 -35,-0.0 -0.845 79.4-118.6-106.1 126.9 32.6 8.1 33.4 218 235 A D > - 0 0 82 -2,-0.5 4,-2.1 1,-0.1 5,-0.2 -0.099 30.4-110.3 -54.8 157.5 33.4 11.8 34.0 219 236 A S H > S+ 0 0 85 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.823 112.5 56.4 -64.8 -34.0 31.9 13.2 37.2 220 237 A A H > S+ 0 0 2 2,-0.2 4,-1.3 1,-0.2 27,-0.4 0.956 113.1 37.1 -65.8 -53.4 29.4 15.5 35.4 221 238 A P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.858 115.5 56.8 -65.8 -33.4 27.6 12.8 33.4 222 239 A L H X S+ 0 0 17 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.867 100.8 56.9 -65.9 -37.1 28.0 10.4 36.4 223 240 A A H X S+ 0 0 45 -4,-2.0 4,-0.7 2,-0.2 -1,-0.2 0.916 108.0 47.9 -58.1 -43.3 26.1 13.0 38.5 224 241 A L H >X S+ 0 0 0 -4,-1.3 4,-1.7 1,-0.2 3,-1.3 0.930 109.8 51.7 -62.8 -46.0 23.3 12.8 36.1 225 242 A L H 3X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.3 -1,-0.2 0.811 102.0 61.5 -59.8 -31.9 23.4 9.0 36.1 226 243 A H H 3< S+ 0 0 59 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.764 109.8 42.0 -64.7 -25.7 23.2 9.2 39.9 227 244 A K H << S+ 0 0 82 -3,-1.3 10,-1.9 -4,-0.7 3,-0.4 0.751 117.4 44.7 -92.8 -28.7 19.9 10.9 39.5 228 245 A I H < S+ 0 0 0 -4,-1.7 2,-1.9 1,-0.2 -2,-0.2 0.930 105.5 58.1 -80.7 -49.6 18.5 8.7 36.8 229 246 A L S < S+ 0 0 4 -4,-2.5 2,-0.5 -5,-0.1 -1,-0.2 -0.279 73.9 141.3 -81.7 52.5 19.5 5.2 38.1 230 247 A V - 0 0 42 -2,-1.9 6,-0.2 -3,-0.4 -3,-0.1 -0.853 50.0-141.1 -97.2 129.6 17.5 5.7 41.3 231 248 A E S S+ 0 0 55 -2,-0.5 -71,-0.3 4,-0.1 -1,-0.1 0.896 86.9 70.0 -59.0 -47.9 15.8 2.5 42.6 232 249 A N S >> S- 0 0 81 1,-0.2 3,-1.2 -73,-0.1 4,-0.9 -0.640 72.5-154.7 -74.1 109.9 12.6 4.3 43.8 233 250 A P T 34 S+ 0 0 37 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.683 94.1 59.1 -59.2 -18.6 10.8 5.4 40.7 234 251 A S T 34 S+ 0 0 103 1,-0.2 -2,-0.1 -63,-0.0 -3,-0.0 0.820 109.1 41.7 -78.4 -31.9 9.1 8.1 42.8 235 252 A A T <4 S+ 0 0 66 -3,-1.2 -1,-0.2 2,-0.1 2,-0.1 0.517 94.1 111.1 -91.3 -7.3 12.5 9.6 43.8 236 253 A R S < S- 0 0 11 -4,-0.9 -8,-0.2 -6,-0.2 -9,-0.1 -0.380 79.2 -98.5 -72.1 145.6 13.9 9.3 40.3 237 254 A I - 0 0 22 -10,-1.9 2,-0.1 -13,-0.1 -1,-0.1 -0.343 35.5-139.2 -63.5 138.1 14.6 12.3 38.2 238 255 A T > - 0 0 76 -3,-0.1 4,-1.2 1,-0.1 3,-0.3 -0.443 26.2-103.8 -89.1 171.4 11.9 13.3 35.7 239 256 A I H > S+ 0 0 13 1,-0.2 4,-1.7 2,-0.2 3,-0.2 0.890 117.0 59.3 -68.2 -41.0 12.7 14.5 32.1 240 257 A P H 4 S+ 0 0 90 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.869 111.0 44.2 -53.1 -36.2 11.9 18.2 32.8 241 258 A D H >> S+ 0 0 99 -3,-0.3 3,-1.2 1,-0.2 4,-0.6 0.736 103.9 62.6 -83.1 -23.7 14.6 18.1 35.5 242 259 A I H >< S+ 0 0 1 -4,-1.2 3,-0.8 1,-0.3 6,-0.2 0.859 99.1 57.3 -63.8 -34.4 17.1 16.1 33.3 243 260 A K T 3< S+ 0 0 79 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.470 106.0 50.3 -76.5 -2.5 17.0 19.1 31.0 244 261 A K T <4 S+ 0 0 163 -3,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.470 84.3 117.1-109.2 -9.7 18.2 21.3 33.9 245 262 A D S 4 S+ 0 0 0 -27,-0.4 3,-1.8 1,-0.2 -1,-0.2 0.898 107.1 59.7 -68.4 -39.3 26.0 18.0 32.1 248 265 A Y T 34 S+ 0 0 24 1,-0.3 -1,-0.2 -6,-0.2 -2,-0.2 0.823 115.0 37.3 -56.0 -30.0 22.9 18.0 29.9 249 266 A N T 3< S+ 0 0 97 -4,-0.8 -1,-0.3 -3,-0.2 -2,-0.2 0.232 88.7 120.3-107.7 11.3 23.6 21.7 29.5 250 267 A K < - 0 0 73 -3,-1.8 2,-0.3 1,-0.1 -3,-0.1 -0.663 67.0-124.2 -81.2 122.5 27.4 21.5 29.3 251 268 A P - 0 0 121 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 -0.529 38.2-172.7 -66.3 126.4 28.8 22.9 26.1 252 269 A L 0 0 47 -2,-0.3 -2,-0.0 1,-0.1 0, 0.0 -0.967 360.0 360.0-131.0 140.2 30.9 20.1 24.6 253 270 A K 0 0 244 -2,-0.4 -1,-0.1 -164,-0.0 -164,-0.0 0.473 360.0 360.0-132.4 360.0 33.3 19.8 21.6