==== 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 2YM7 . 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 . 248 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13068.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 167 67.3 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 17.3 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 . 16 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 66 26.6 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 4 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 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 0 164 0, 0.0 2,-0.4 0, 0.0 17,-0.0 0.000 360.0 360.0 360.0 -15.3 4.2 2.7 -7.0 2 8 A D - 0 0 84 2,-0.0 17,-3.0 0, 0.0 2,-0.4 -0.787 360.0-171.3-100.7 133.0 6.7 -0.0 -7.6 3 9 A W E -A 18 0A 92 -2,-0.4 2,-0.5 15,-0.2 15,-0.2 -0.963 14.4-145.1-124.2 135.1 9.5 -0.9 -5.2 4 10 A D E -A 17 0A 100 13,-2.8 13,-2.3 -2,-0.4 2,-0.9 -0.868 17.4-135.0 -95.0 127.8 12.5 -3.2 -5.6 5 11 A L E +A 16 0A 88 -2,-0.5 11,-0.2 11,-0.2 3,-0.1 -0.754 30.3 177.2 -80.8 109.6 13.5 -5.2 -2.5 6 12 A V E - 0 0 87 9,-2.8 2,-0.3 -2,-0.9 -1,-0.2 0.914 51.0 -20.5 -86.9 -49.1 17.2 -4.7 -2.6 7 13 A Q E -A 15 0A 105 8,-0.8 8,-3.0 0, 0.0 2,-0.3 -0.992 64.7 -94.5-160.2 158.0 18.6 -6.4 0.5 8 14 A T E -A 14 0A 72 -2,-0.3 6,-0.3 6,-0.2 -3,-0.0 -0.589 27.1-172.2 -75.9 134.3 17.8 -7.7 4.0 9 15 A L 0 0 70 4,-3.5 5,-0.2 -2,-0.3 -1,-0.1 0.751 360.0 360.0 -97.7 -31.6 18.5 -5.2 6.7 10 16 A G 0 0 69 3,-1.5 3,-2.5 0, 0.0 -1,-0.3 -0.999 360.0 360.0 148.1 360.0 17.9 -7.5 9.7 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 0 116 0, 0.0 17,-2.6 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 168.9 12.4 -9.5 8.8 13 23 A V E - B 0 28A 43 -3,-2.5 -4,-3.5 15,-0.2 -3,-1.5 -0.982 360.0-174.2-123.8 126.1 13.2 -6.0 7.6 14 24 A Q E -AB 8 27A 31 13,-2.6 13,-3.2 -2,-0.5 2,-0.6 -0.877 26.9-117.2-121.9 153.4 14.2 -5.3 4.0 15 25 A L E -AB 7 26A 16 -8,-3.0 -9,-2.8 -2,-0.3 -8,-0.8 -0.787 31.2-167.7 -88.1 121.2 15.4 -2.2 2.1 16 26 A A E -AB 5 25A 0 9,-3.5 9,-2.7 -2,-0.6 2,-0.4 -0.897 3.4-162.9-109.0 141.0 13.0 -1.2 -0.7 17 27 A V E -AB 4 24A 34 -13,-2.3 -13,-2.8 -2,-0.4 7,-0.2 -0.988 25.6-114.5-125.2 130.4 14.0 1.3 -3.3 18 28 A N E > -A 3 0A 14 5,-3.0 4,-1.4 -2,-0.4 -15,-0.2 -0.426 16.5-138.9 -66.8 133.1 11.4 3.0 -5.5 19 29 A R T 4 S+ 0 0 168 -17,-3.0 -1,-0.1 -2,-0.2 -16,-0.1 0.828 99.0 27.4 -58.8 -37.3 11.6 2.1 -9.2 20 30 A V T 4 S+ 0 0 115 -18,-0.4 -1,-0.1 3,-0.1 -17,-0.1 0.910 132.8 28.0 -92.5 -53.6 11.0 5.7 -10.3 21 31 A T T 4 S- 0 0 72 2,-0.1 -2,-0.1 1,-0.0 3,-0.1 0.673 87.0-136.6 -89.8 -19.9 12.3 8.0 -7.6 22 32 A E < + 0 0 151 -4,-1.4 2,-0.1 1,-0.3 -3,-0.1 0.622 49.2 154.2 65.7 15.4 14.9 5.8 -6.1 23 33 A E - 0 0 130 -6,-0.1 -5,-3.0 1,-0.1 2,-0.3 -0.491 37.5-132.2 -68.7 145.8 13.7 6.8 -2.7 24 34 A A E +B 17 0A 36 -7,-0.2 42,-0.5 -2,-0.1 2,-0.3 -0.794 25.4 178.3-108.2 145.9 14.4 4.2 -0.0 25 35 A V E -BC 16 65A 11 -9,-2.7 -9,-3.5 -2,-0.3 2,-0.6 -0.995 28.3-127.4-142.2 144.6 12.2 2.7 2.6 26 36 A A E -BC 15 64A 10 38,-2.8 38,-3.1 -2,-0.3 2,-0.6 -0.851 27.5-156.7 -92.3 121.5 12.6 -0.0 5.3 27 37 A V E -BC 14 63A 9 -13,-3.2 -13,-2.6 -2,-0.6 2,-0.5 -0.892 1.6-156.3-105.6 119.9 9.9 -2.6 4.9 28 38 A K E -BC 13 62A 32 34,-2.5 34,-2.2 -2,-0.6 2,-0.5 -0.833 9.8-160.6 -95.7 127.7 8.9 -4.6 7.9 29 39 A I E C 0 61A 37 -17,-2.6 32,-0.2 -2,-0.5 -2,-0.0 -0.928 360.0 360.0-114.6 129.3 7.3 -8.0 7.1 30 40 A V 0 0 96 30,-1.7 30,-2.1 -2,-0.5 -2,-0.0 -0.976 360.0 360.0-133.2 360.0 5.3 -10.0 9.6 31 ! 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 32 51 A N > 0 0 119 0, 0.0 4,-1.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 146.1 1.0 -7.3 18.3 33 52 A I H > + 0 0 34 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.861 360.0 57.2 -80.6 -38.6 1.0 -5.9 14.7 34 53 A K H > S+ 0 0 152 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.889 111.9 45.2 -58.5 -38.7 -2.4 -4.2 14.7 35 54 A K H > S+ 0 0 86 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.876 106.9 57.7 -73.6 -39.0 -1.4 -2.1 17.6 36 55 A E H X S+ 0 0 10 -4,-1.4 4,-2.2 1,-0.2 -2,-0.2 0.886 109.9 45.8 -57.1 -40.2 2.0 -1.3 16.2 37 56 A I H X S+ 0 0 11 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.926 111.0 51.8 -70.0 -45.2 0.3 0.2 13.2 38 57 A C H X S+ 0 0 80 -4,-1.8 4,-0.5 1,-0.2 -2,-0.2 0.919 113.7 43.9 -57.2 -47.1 -2.2 2.1 15.2 39 58 A I H >X S+ 0 0 4 -4,-2.8 3,-1.6 1,-0.2 4,-0.6 0.928 110.8 54.7 -67.2 -43.5 0.6 3.6 17.3 40 59 A N H >< S+ 0 0 4 -4,-2.2 3,-1.2 1,-0.3 11,-0.2 0.860 99.7 61.5 -56.5 -36.5 2.7 4.4 14.3 41 60 A K H 3< S+ 0 0 125 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.716 102.5 53.3 -64.0 -19.3 -0.2 6.3 12.7 42 61 A M H << S+ 0 0 82 -3,-1.6 2,-0.3 -4,-0.5 -1,-0.3 0.673 91.2 100.0 -83.7 -19.7 -0.0 8.7 15.7 43 62 A L << + 0 0 20 -3,-1.2 8,-0.3 -4,-0.6 2,-0.1 -0.498 28.3 146.4 -89.6 135.3 3.7 9.5 15.3 44 63 A N + 0 0 129 -2,-0.3 2,-0.3 6,-0.1 5,-0.1 -0.586 26.8 122.2-159.2 95.7 5.4 12.5 13.7 45 64 A H > - 0 0 31 3,-0.4 3,-1.9 -2,-0.1 52,-0.0 -0.988 63.0-119.0-156.2 147.8 8.6 13.7 15.2 46 65 A E T 3 S+ 0 0 121 -2,-0.3 4,-0.1 1,-0.3 51,-0.1 0.634 114.5 47.2 -66.5 -15.0 12.1 14.3 14.0 47 66 A N T 3 S+ 0 0 12 49,-0.1 79,-2.6 78,-0.1 2,-0.4 0.059 99.8 80.2-114.5 23.8 13.6 11.8 16.5 48 67 A V B < S-e 126 0B 2 -3,-1.9 -3,-0.4 77,-0.3 79,-0.2 -0.999 92.2-101.9-127.3 132.3 11.1 9.0 15.8 49 68 A V - 0 0 6 77,-2.4 2,-0.1 -2,-0.4 -2,-0.1 -0.257 46.0-114.1 -50.0 128.1 11.3 6.7 12.8 50 69 A K - 0 0 103 -4,-0.1 15,-2.0 -6,-0.1 2,-0.5 -0.394 19.7-147.0 -68.1 142.7 8.8 7.8 10.1 51 70 A F E +D 64 0A 34 -8,-0.3 13,-0.2 -11,-0.2 3,-0.1 -0.959 16.8 178.2-110.1 122.4 5.7 5.7 9.2 52 71 A Y E - 0 0 115 11,-3.2 2,-0.3 -2,-0.5 12,-0.2 0.687 53.7 -79.8 -97.5 -22.7 4.7 6.0 5.6 53 72 A G E -D 63 0A 16 10,-0.9 10,-2.9 2,-0.0 -1,-0.4 -0.897 39.4-110.5 148.3-175.5 1.8 3.5 5.6 54 73 A H E -D 62 0A 69 -2,-0.3 2,-0.3 8,-0.2 8,-0.2 -0.958 11.2-156.9-147.6 162.6 1.0 -0.2 5.5 55 74 A R E -D 61 0A 122 6,-1.7 6,-2.4 -2,-0.3 2,-0.4 -0.986 13.8-140.4-144.3 135.3 -0.6 -2.9 3.2 56 75 A R E D 60 0A 221 -2,-0.3 4,-0.2 4,-0.2 -2,-0.0 -0.824 360.0 360.0 -96.9 133.2 -2.2 -6.2 4.1 57 76 A E 0 0 160 2,-2.9 -2,-0.0 -2,-0.4 0, 0.0 -0.875 360.0 360.0-130.4 360.0 -1.5 -9.1 1.8 58 ! 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 59 79 A I 0 0 112 0, 0.0 -2,-2.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 117.7 1.4 -11.1 5.6 60 80 A Q E - D 0 56A 30 -30,-2.1 -30,-1.7 -4,-0.2 2,-0.5 -0.867 360.0-154.0-107.7 137.3 1.4 -7.5 6.8 61 81 A Y E -CD 29 55A 45 -6,-2.4 -6,-1.7 -2,-0.4 2,-0.5 -0.938 6.5-169.6-112.9 127.3 3.7 -4.8 5.4 62 82 A L E -CD 28 54A 0 -34,-2.2 -34,-2.5 -2,-0.5 2,-0.7 -0.971 12.8-149.0-112.9 129.5 4.8 -1.7 7.3 63 83 A F E +CD 27 53A 38 -10,-2.9 -11,-3.2 -2,-0.5 -10,-0.9 -0.865 30.3 169.2-102.8 110.7 6.6 1.0 5.4 64 84 A L E -CD 26 51A 20 -38,-3.1 -38,-2.8 -2,-0.7 -13,-0.2 -0.718 39.4 -73.5-125.5 165.4 9.1 2.7 7.7 65 85 A E E -C 25 0A 18 -15,-2.0 2,-0.7 -2,-0.2 -40,-0.2 -0.330 38.1-137.0 -62.9 128.2 11.9 5.2 7.5 66 86 A Y - 0 0 73 -42,-0.5 2,-0.8 -2,-0.1 -42,-0.1 -0.792 16.6-160.9 -82.4 119.5 15.2 3.9 6.1 67 87 A C > - 0 0 11 -2,-0.7 3,-1.8 1,-0.1 51,-0.4 -0.847 5.3-169.4-107.8 96.7 17.9 5.3 8.4 68 88 A S T 3 S+ 0 0 60 -2,-0.8 51,-0.2 1,-0.3 -1,-0.1 0.607 77.0 70.6 -67.1 -13.7 21.1 5.0 6.4 69 89 A G T 3 S- 0 0 18 49,-2.2 -1,-0.3 1,-0.3 50,-0.2 0.574 96.6-139.9 -81.1 -9.3 23.4 5.8 9.3 70 90 A G E < -F 118 0B 29 -3,-1.8 48,-2.6 48,-0.7 2,-0.3 -0.452 38.9 -28.5 89.2-159.1 22.6 2.4 10.9 71 91 A E E > -F 117 0B 60 46,-0.2 3,-1.8 -2,-0.1 46,-0.2 -0.700 47.1-124.0-101.2 152.3 22.1 1.6 14.6 72 92 A L G > S+ 0 0 0 44,-3.0 3,-2.7 41,-0.8 4,-0.3 0.853 107.3 73.7 -56.8 -37.5 23.4 3.5 17.6 73 93 A F G > S+ 0 0 101 40,-0.8 3,-1.1 1,-0.3 -1,-0.3 0.817 91.7 56.6 -43.1 -37.2 24.9 0.2 18.7 74 94 A D G < S+ 0 0 116 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.464 97.8 58.8 -84.4 -2.3 27.5 0.5 16.0 75 95 A R G < S+ 0 0 83 -3,-2.7 2,-0.7 -4,-0.2 -1,-0.2 0.325 89.3 90.3 -98.6 2.8 28.8 3.9 17.2 76 96 A I < - 0 0 25 -3,-1.1 6,-0.2 -4,-0.3 105,-0.1 -0.891 69.9-148.5-105.2 112.3 29.7 2.3 20.5 77 97 A E B >> -H 81 0C 121 4,-2.7 4,-2.9 -2,-0.7 3,-2.4 -0.679 32.9-104.7 -80.5 124.7 33.2 0.9 20.8 78 98 A P T 34 S+ 0 0 105 0, 0.0 107,-0.2 0, 0.0 106,-0.1 -0.202 100.9 1.1 -52.1 132.9 33.2 -2.1 23.1 79 99 A D T 34 S+ 0 0 98 105,-2.8 105,-0.2 1,-0.1 106,-0.1 0.372 134.2 58.7 71.1 -2.6 34.8 -1.3 26.5 80 100 A I T <4 S- 0 0 93 -3,-2.4 2,-0.5 104,-0.2 104,-0.3 0.715 77.9-160.9-119.3 -51.0 35.3 2.3 25.4 81 101 A G B < -H 77 0C 1 -4,-2.9 -4,-2.7 102,-0.3 101,-0.2 -0.866 37.5 -67.7 101.1-132.1 32.0 4.0 24.4 82 102 A M - 0 0 19 99,-1.3 5,-0.1 -2,-0.5 -6,-0.1 -0.956 63.3 -61.6-152.7 167.1 32.2 7.1 22.2 83 103 A P >> - 0 0 59 0, 0.0 4,-2.1 0, 0.0 3,-0.7 -0.296 50.1-123.0 -55.7 137.6 33.4 10.7 22.6 84 104 A E H 3> S+ 0 0 46 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.831 109.8 54.7 -54.9 -38.9 31.4 12.5 25.3 85 105 A P H 3> S+ 0 0 30 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.884 108.9 49.3 -64.7 -35.3 30.2 15.3 23.0 86 106 A D H <> S+ 0 0 48 -3,-0.7 4,-2.4 2,-0.2 -2,-0.2 0.912 111.2 49.4 -65.4 -44.0 28.8 12.6 20.7 87 107 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.890 110.4 50.4 -63.6 -39.2 27.0 10.8 23.5 88 108 A Q H X S+ 0 0 17 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.907 110.1 49.9 -65.8 -42.9 25.5 14.1 24.8 89 109 A R H X S+ 0 0 89 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.938 113.1 45.7 -59.9 -47.6 24.2 15.0 21.4 90 110 A F H X S+ 0 0 6 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.895 112.9 51.9 -62.0 -39.2 22.6 11.5 21.0 91 111 A F H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.894 106.8 52.0 -65.4 -40.3 21.2 11.8 24.5 92 112 A H H X S+ 0 0 57 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.918 113.3 45.7 -59.1 -43.2 19.7 15.2 23.8 93 113 A Q H X S+ 0 0 25 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.887 109.9 53.5 -70.4 -39.7 18.0 13.7 20.7 94 114 A L H X S+ 0 0 1 -4,-2.8 4,-2.7 2,-0.2 5,-0.2 0.940 109.9 48.4 -56.2 -48.6 16.9 10.6 22.7 95 115 A M H X S+ 0 0 1 -4,-2.7 4,-3.1 1,-0.2 5,-0.3 0.896 108.9 53.5 -61.1 -40.5 15.2 12.9 25.3 96 116 A A H X S+ 0 0 28 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.918 111.9 45.9 -60.7 -42.1 13.5 14.9 22.5 97 117 A G H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.910 114.9 45.3 -65.5 -44.6 12.1 11.7 21.1 98 118 A V H X S+ 0 0 1 -4,-2.7 4,-3.0 2,-0.2 5,-0.3 0.911 110.2 53.9 -68.5 -41.9 11.0 10.3 24.5 99 119 A V H X S+ 0 0 60 -4,-3.1 4,-2.2 -5,-0.2 -1,-0.2 0.928 109.6 50.2 -55.8 -44.7 9.5 13.7 25.6 100 120 A Y H X S+ 0 0 49 -4,-1.8 4,-1.3 -5,-0.3 -2,-0.2 0.955 111.9 45.9 -58.2 -51.8 7.4 13.6 22.4 101 121 A L H ><>S+ 0 0 1 -4,-2.2 5,-2.9 1,-0.2 3,-0.8 0.938 113.9 47.6 -58.5 -49.8 6.2 10.1 22.9 102 122 A H H ><5S+ 0 0 8 -4,-3.0 3,-1.0 1,-0.3 -1,-0.2 0.860 106.2 60.6 -62.8 -32.6 5.3 10.6 26.5 103 123 A G H 3<5S+ 0 0 57 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.815 107.6 43.0 -64.1 -31.5 3.5 13.8 25.5 104 124 A I T <<5S- 0 0 59 -4,-1.3 -1,-0.3 -3,-0.8 -2,-0.2 0.363 124.7-105.5 -97.0 7.3 1.1 11.9 23.3 105 125 A G T < 5S+ 0 0 1 -3,-1.0 30,-2.6 -4,-0.4 31,-1.3 0.722 76.9 132.1 84.2 24.9 0.8 9.3 26.0 106 126 A I E < -I 134 0D 0 -5,-2.9 2,-0.4 28,-0.2 -1,-0.3 -0.909 38.3-162.5-112.1 133.7 2.9 6.6 24.4 107 127 A T E -I 133 0D 1 26,-2.5 26,-2.0 -2,-0.4 60,-0.1 -0.950 9.6-155.5-111.6 137.1 5.6 4.6 26.1 108 128 A H - 0 0 1 -2,-0.4 23,-0.2 24,-0.2 -1,-0.1 0.907 15.5-166.1 -75.9 -44.8 8.1 2.7 24.0 109 129 A R S S+ 0 0 37 57,-0.1 -1,-0.1 23,-0.1 41,-0.1 0.448 71.5 60.3 73.4 3.8 9.0 0.1 26.6 110 130 A D + 0 0 19 39,-0.1 2,-0.4 18,-0.1 5,-0.1 -0.097 62.0 163.4-152.2 47.0 12.1 -1.3 24.9 111 131 A I + 0 0 2 42,-0.1 39,-0.1 3,-0.1 66,-0.1 -0.547 20.5 129.4 -72.1 124.9 14.6 1.6 24.5 112 132 A K S > S- 0 0 37 -2,-0.4 3,-2.0 64,-0.1 -40,-0.1 -0.946 72.0 -90.9-166.8 165.8 18.1 0.3 23.8 113 133 A P G > S+ 0 0 1 0, 0.0 3,-1.6 0, 0.0 -40,-0.8 0.813 120.9 63.0 -63.0 -28.9 20.8 1.0 21.2 114 134 A E G 3 S+ 0 0 66 1,-0.3 -3,-0.1 -42,-0.2 -40,-0.0 0.724 106.7 46.6 -60.9 -23.4 19.4 -1.7 18.8 115 135 A N G < S+ 0 0 17 -3,-2.0 12,-3.0 -5,-0.1 2,-0.6 0.159 95.0 85.3-105.6 14.2 16.2 0.4 18.6 116 136 A L E < - G 0 126B 1 -3,-1.6 -44,-3.0 10,-0.2 -43,-0.3 -0.931 63.1-173.0-119.1 105.9 17.9 3.7 18.1 117 137 A L E -FG 71 125B 36 8,-2.7 8,-2.7 -2,-0.6 2,-0.4 -0.532 14.3-135.6-100.6 166.0 18.7 4.3 14.4 118 138 A L E -FG 70 124B 0 -48,-2.6 -49,-2.2 -51,-0.4 -48,-0.7 -0.968 9.8-146.1-125.6 133.3 20.7 7.0 12.7 119 139 A D > - 0 0 9 4,-1.9 3,-2.2 -2,-0.4 -52,-0.1 -0.150 47.9 -78.5 -85.0-171.4 19.8 9.0 9.6 120 140 A E T 3 S+ 0 0 129 1,-0.3 -1,-0.1 2,-0.1 -53,-0.0 0.706 135.0 46.4 -66.4 -19.4 22.3 10.3 7.0 121 141 A R T 3 S- 0 0 190 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.154 121.7-105.7-102.4 15.8 23.2 13.2 9.3 122 142 A D < + 0 0 50 -3,-2.2 2,-0.4 1,-0.2 -2,-0.1 0.789 65.3 158.1 59.4 29.4 23.5 10.9 12.4 123 143 A N - 0 0 44 1,-0.0 -4,-1.9 -30,-0.0 -1,-0.2 -0.719 43.4-119.1 -77.3 132.0 20.2 12.2 13.8 124 144 A L E - G 0 118B 1 -2,-0.4 2,-0.4 -6,-0.2 -6,-0.2 -0.507 29.2-169.4 -77.9 139.6 18.8 9.6 16.3 125 145 A K E - G 0 117B 12 -8,-2.7 -8,-2.7 -2,-0.2 2,-0.4 -0.992 21.8-129.4-131.7 124.4 15.4 8.0 15.5 126 146 A I E -eG 48 116B 0 -79,-2.6 -77,-2.4 -2,-0.4 2,-0.3 -0.605 37.2-165.3 -74.1 128.2 13.5 5.9 18.0 127 147 A S + 0 0 21 -12,-3.0 -1,-0.0 -2,-0.4 -77,-0.0 -0.804 39.3 32.4-121.6 152.1 12.5 2.7 16.2 128 148 A D - 0 0 61 -2,-0.3 3,-0.5 1,-0.1 -1,-0.2 0.983 40.2-170.3 75.0 94.2 10.2 -0.3 16.6 129 149 A F + 0 0 4 1,-0.2 3,-0.5 2,-0.1 -90,-0.1 0.090 53.6 114.2-102.2 23.7 6.8 0.2 18.3 130 150 A G S S+ 0 0 19 1,-0.2 -1,-0.2 -91,-0.0 -94,-0.1 0.748 87.0 34.6 -64.1 -27.2 6.0 -3.4 18.5 131 151 A L S S+ 0 0 68 -3,-0.5 -1,-0.2 -23,-0.2 -2,-0.1 0.435 95.4 116.0-106.2 -1.3 6.1 -3.3 22.3 132 152 A A + 0 0 2 -3,-0.5 2,-0.3 -22,-0.1 -24,-0.2 -0.226 39.9 178.4 -69.1 154.9 4.8 0.2 22.7 133 153 A T E -I 107 0D 18 -26,-2.0 -26,-2.5 -94,-0.0 2,-0.4 -0.977 34.1 -95.0-151.8 164.7 1.5 1.0 24.5 134 154 A V E +I 106 0D 37 -2,-0.3 -28,-0.2 -28,-0.2 3,-0.1 -0.704 35.8 167.2 -81.4 128.1 -0.8 3.8 25.6 135 155 A F + 0 0 0 -30,-2.6 7,-2.7 -2,-0.4 2,-0.4 0.470 68.1 42.0-117.2 -9.3 -0.2 4.9 29.1 136 156 A R E +J 141 0E 66 -31,-1.3 2,-0.3 5,-0.2 -1,-0.3 -0.977 61.1 163.1-141.1 129.6 -2.3 8.1 29.0 137 157 A Y E > S+J 140 0E 144 3,-2.2 3,-2.1 -2,-0.4 -32,-0.1 -0.996 71.3 0.7-147.3 134.9 -5.6 8.6 27.4 138 158 A N T 3 S- 0 0 139 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.876 129.3 -62.2 51.0 37.8 -8.2 11.4 27.9 139 159 A N T 3 S+ 0 0 143 1,-0.2 2,-0.5 -3,-0.0 -1,-0.3 0.587 112.8 118.4 66.6 14.2 -5.7 12.9 30.4 140 160 A R E < -J 137 0E 189 -3,-2.1 -3,-2.2 2,-0.0 2,-0.3 -0.946 58.0-137.7-114.0 128.8 -6.0 9.8 32.6 141 161 A E E -J 136 0E 69 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.583 11.6-156.3 -83.2 141.8 -2.9 7.8 33.3 142 162 A R - 0 0 137 -7,-2.7 24,-0.3 -2,-0.3 2,-0.2 -0.978 16.8-127.4-116.5 134.6 -3.1 4.0 33.4 143 163 A L - 0 0 69 -2,-0.4 2,-0.2 22,-0.1 22,-0.2 -0.474 23.5-129.4 -74.6 146.7 -0.5 2.0 35.3 144 164 A L B +K 164 0F 12 20,-2.7 20,-2.1 -2,-0.2 -1,-0.1 -0.637 30.9 167.6 -94.4 157.4 1.3 -0.8 33.5 145 165 A N + 0 0 80 -2,-0.2 2,-0.3 18,-0.2 -1,-0.1 0.424 41.7 107.6-139.2 -10.2 1.7 -4.4 34.7 146 166 A K S S- 0 0 130 1,-0.1 2,-0.5 0, 0.0 -2,-0.0 -0.546 71.0-119.3 -79.3 136.5 3.0 -6.4 31.7 147 167 A M + 0 0 128 -2,-0.3 2,-0.3 12,-0.0 -1,-0.1 -0.642 53.1 149.8 -69.2 119.3 6.6 -7.6 31.7 148 168 A C + 0 0 31 -2,-0.5 2,-0.3 2,-0.0 -39,-0.1 -0.991 22.8 46.9-149.5 155.5 8.2 -6.0 28.6 149 169 A G S S- 0 0 30 -2,-0.3 2,-0.4 -39,-0.1 -39,-0.1 -0.838 84.4 -57.6 116.5-155.9 11.6 -4.8 27.6 150 170 A T >> - 0 0 35 -2,-0.3 3,-2.2 -39,-0.1 4,-0.9 -0.998 45.4-123.9-139.1 124.9 15.2 -6.2 27.7 151 171 A L G >4 S+ 0 0 78 -2,-0.4 3,-0.8 1,-0.3 -1,-0.1 0.767 105.8 50.6 -48.3 -48.0 16.7 -7.2 31.0 152 172 A P G 34 S+ 0 0 30 0, 0.0 -1,-0.3 0, 0.0 36,-0.2 0.778 120.6 38.8 -64.4 -21.4 19.9 -5.2 31.1 153 173 A Y G <4 S+ 0 0 10 -3,-2.2 -2,-0.2 36,-0.1 23,-0.2 0.470 92.4 108.6-101.5 -8.8 17.8 -2.1 30.2 154 174 A V S << S- 0 0 12 -4,-0.9 -5,-0.1 -3,-0.8 16,-0.1 -0.475 71.1-114.0 -80.1 145.4 14.7 -2.7 32.3 155 175 A A >> - 0 0 0 -2,-0.2 3,-1.3 1,-0.1 4,-0.6 -0.420 23.7-119.3 -74.8 149.4 13.9 -0.7 35.4 156 176 A P H >> S+ 0 0 2 0, 0.0 4,-1.1 0, 0.0 3,-0.8 0.786 107.0 67.4 -62.4 -30.1 13.9 -2.6 38.8 157 177 A E H 3> S+ 0 0 3 1,-0.2 4,-2.8 71,-0.2 3,-0.1 0.799 91.6 62.6 -63.4 -27.0 10.2 -1.9 39.6 158 178 A L H <4 S+ 0 0 10 -3,-1.3 -1,-0.2 1,-0.2 6,-0.0 0.865 106.6 44.9 -63.3 -34.8 9.2 -4.2 36.7 159 179 A L H << S+ 0 0 63 -3,-0.8 -1,-0.2 -4,-0.6 -2,-0.2 0.734 126.3 27.8 -79.7 -23.6 10.8 -7.1 38.5 160 180 A K H < S+ 0 0 79 -4,-1.1 2,-0.3 -3,-0.1 -2,-0.2 0.666 107.4 67.1-116.2 -19.2 9.5 -6.3 41.9 161 181 A R < - 0 0 169 -4,-2.8 3,-0.1 -5,-0.2 -1,-0.0 -0.832 62.2-143.3-112.2 145.7 6.1 -4.5 41.6 162 182 A R S S+ 0 0 193 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.872 91.9 19.5 -69.5 -38.2 2.8 -5.7 40.3 163 183 A E S S+ 0 0 78 -6,-0.0 2,-0.3 -18,-0.0 -18,-0.2 -0.954 71.3 174.2-131.0 153.2 2.0 -2.3 38.8 164 184 A F B -K 144 0F 14 -20,-2.1 -20,-2.7 -2,-0.3 2,-0.2 -0.996 36.2 -96.6-156.1 153.3 4.2 0.6 37.8 165 185 A H > - 0 0 82 -2,-0.3 4,-0.6 -22,-0.2 -22,-0.1 -0.497 30.3-139.3 -68.3 141.4 4.2 4.0 36.2 166 186 A A H >> S+ 0 0 0 -24,-0.3 4,-1.4 -2,-0.2 3,-0.7 0.885 89.8 60.2 -71.0 -42.6 5.3 4.0 32.5 167 187 A E H 3> S+ 0 0 62 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.893 99.5 52.1 -64.5 -43.6 7.4 7.1 32.3 168 188 A P H 3> S+ 0 0 27 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.788 104.9 59.6 -63.5 -23.2 10.1 6.3 34.9 169 189 A V H S- 0 0 19 -2,-1.7 3,-2.5 1,-0.1 7,-0.3 -0.892 71.3-118.8-122.5 154.0 17.9 -7.3 41.0 193 213 A D T 3 S+ 0 0 112 -2,-0.3 6,-0.1 1,-0.3 -1,-0.1 0.776 115.8 62.4 -59.6 -26.3 19.4 -7.6 44.5 194 214 A S T 3 S+ 0 0 111 4,-0.1 2,-0.7 1,-0.0 -1,-0.3 0.581 85.7 90.5 -73.4 -10.1 20.7 -11.0 43.4 195 215 A C <> - 0 0 11 -3,-2.5 4,-2.4 1,-0.2 3,-0.4 -0.802 67.2-156.5 -93.7 113.6 22.8 -9.2 40.8 196 216 A Q H > S+ 0 0 112 -2,-0.7 4,-2.5 1,-0.3 -1,-0.2 0.878 91.9 51.5 -56.8 -46.0 26.2 -8.3 42.3 197 217 A E H > S+ 0 0 92 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.867 111.0 49.2 -61.5 -36.9 26.9 -5.5 39.9 198 218 A Y H > S+ 0 0 1 -3,-0.4 4,-2.1 -8,-0.3 -2,-0.2 0.919 109.8 50.5 -69.4 -41.5 23.6 -3.9 40.7 199 219 A S H X S+ 0 0 21 -4,-2.4 4,-1.7 -7,-0.3 -2,-0.2 0.907 107.5 55.2 -59.7 -41.1 24.2 -4.3 44.4 200 220 A D H <>S+ 0 0 22 -4,-2.5 5,-2.5 1,-0.2 -1,-0.2 0.893 107.2 49.5 -59.2 -42.9 27.6 -2.6 44.0 201 221 A W H ><5S+ 0 0 13 -4,-1.7 3,-2.1 1,-0.2 -1,-0.2 0.924 108.5 52.4 -61.2 -45.1 25.9 0.4 42.3 202 222 A K H 3<5S+ 0 0 74 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.823 108.6 51.7 -62.9 -29.3 23.4 0.7 45.1 203 223 A E T 3<5S- 0 0 125 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.236 117.5-117.6 -91.0 11.7 26.3 0.7 47.5 204 224 A K T < 5 + 0 0 141 -3,-2.1 2,-2.1 1,-0.2 -3,-0.2 0.760 54.9 159.9 62.2 31.9 27.9 3.5 45.5 205 225 A K > < + 0 0 56 -5,-2.5 3,-1.4 1,-0.2 -1,-0.2 -0.421 7.6 154.1 -81.1 68.0 31.0 1.6 44.4 206 226 A T T 3 + 0 0 42 -2,-2.1 -1,-0.2 1,-0.3 -5,-0.1 0.376 56.0 80.1 -83.9 7.2 31.7 4.0 41.5 207 227 A Y T 3 S+ 0 0 152 -3,-0.1 -1,-0.3 4,-0.1 2,-0.2 0.501 86.3 78.6 -83.7 -6.7 35.4 3.2 41.6 208 228 A L S <> S- 0 0 62 -3,-1.4 4,-2.1 1,-0.1 3,-0.2 -0.581 91.6 -56.3 -93.0 161.9 34.4 0.0 39.7 209 229 A N T 4 S+ 0 0 72 1,-0.3 -1,-0.1 2,-0.2 -2,-0.1 -0.509 113.6 22.0 -72.3 150.1 33.6 -0.3 36.0 210 230 A P T >4 S+ 0 0 3 0, 0.0 3,-1.8 0, 0.0 -1,-0.3 -0.994 126.4 50.2 -81.8 -11.1 31.7 0.9 34.1 211 231 A W G >4 S+ 0 0 7 1,-0.3 3,-1.9 -3,-0.2 -2,-0.2 0.806 100.1 65.6 -59.6 -35.0 31.3 3.9 36.4 212 232 A K G 3< S+ 0 0 118 -4,-2.1 -1,-0.3 1,-0.3 -3,-0.2 0.762 98.9 54.1 -57.3 -28.1 35.1 4.5 36.7 213 233 A K G < S+ 0 0 64 -3,-1.8 2,-0.4 -5,-0.2 -1,-0.3 0.501 93.8 88.8 -85.1 -6.2 35.3 5.3 33.0 214 234 A I S < S- 0 0 13 -3,-1.9 -31,-0.1 -4,-0.3 -35,-0.0 -0.815 80.9-117.0-105.1 132.3 32.7 8.0 33.3 215 235 A D > - 0 0 71 -2,-0.4 4,-2.3 1,-0.1 5,-0.2 -0.242 30.6-110.8 -62.8 154.1 33.4 11.6 34.1 216 236 A S H > S+ 0 0 83 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.780 111.6 57.3 -61.3 -30.2 31.9 13.0 37.3 217 237 A A H > S+ 0 0 3 2,-0.2 4,-1.4 1,-0.2 27,-0.4 0.977 113.5 35.0 -69.1 -56.4 29.5 15.3 35.5 218 238 A P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 -2,-0.2 0.858 115.8 58.9 -65.9 -28.5 27.6 12.7 33.4 219 239 A L H X S+ 0 0 19 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.882 100.8 55.2 -64.9 -36.8 28.1 10.2 36.3 220 240 A A H X S+ 0 0 46 -4,-1.9 4,-0.8 2,-0.2 -1,-0.2 0.874 107.6 49.7 -61.2 -38.1 26.2 12.7 38.6 221 241 A L H >X S+ 0 0 0 -4,-1.4 4,-1.8 1,-0.2 3,-1.1 0.938 108.9 51.7 -64.7 -45.6 23.3 12.6 36.1 222 242 A L H 3X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.3 -2,-0.2 0.850 101.8 60.9 -60.0 -33.1 23.4 8.8 36.1 223 243 A H H 3< S+ 0 0 61 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.805 109.2 43.6 -63.2 -28.6 23.2 8.9 39.9 224 244 A K H << S+ 0 0 83 -3,-1.1 10,-2.0 -4,-0.8 3,-0.4 0.769 117.4 43.9 -86.9 -29.5 19.8 10.6 39.5 225 245 A I H < S+ 0 0 0 -4,-1.8 2,-1.8 1,-0.2 -2,-0.2 0.923 106.4 56.8 -78.8 -49.4 18.5 8.4 36.7 226 246 A L S < S+ 0 0 5 -4,-2.6 2,-0.5 -5,-0.2 -1,-0.2 -0.335 74.6 140.7 -87.0 56.9 19.4 4.9 38.0 227 247 A V - 0 0 39 -2,-1.8 6,-0.2 -3,-0.4 5,-0.1 -0.880 50.8-140.6-100.3 126.4 17.6 5.4 41.3 228 248 A E S S+ 0 0 73 -2,-0.5 -71,-0.2 4,-0.1 -1,-0.1 0.872 86.5 71.2 -59.7 -43.2 15.8 2.2 42.4 229 249 A N S >> S- 0 0 87 1,-0.2 3,-1.2 -73,-0.1 4,-1.1 -0.663 71.8-156.3 -76.7 112.4 12.6 3.9 43.7 230 250 A P T 34 S+ 0 0 32 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.748 91.8 59.1 -65.4 -20.9 10.8 5.1 40.6 231 251 A S T 34 S+ 0 0 105 1,-0.2 -2,-0.1 -3,-0.0 -3,-0.0 0.769 110.9 41.0 -75.5 -24.8 9.0 7.8 42.6 232 252 A A T <4 S+ 0 0 67 -3,-1.2 -1,-0.2 -5,-0.1 3,-0.1 0.571 92.6 113.2 -95.0 -11.9 12.3 9.3 43.6 233 253 A R S < S- 0 0 10 -4,-1.1 -8,-0.2 -6,-0.2 -9,-0.1 -0.274 79.2 -97.0 -64.4 144.4 13.8 8.9 40.1 234 254 A I - 0 0 22 -10,-2.0 2,-0.2 -13,-0.1 -1,-0.1 -0.279 37.5-138.3 -62.2 143.2 14.6 12.0 38.1 235 255 A T >> - 0 0 72 -3,-0.1 4,-2.1 1,-0.1 3,-0.5 -0.607 23.9-105.7 -97.2 167.1 12.0 13.1 35.6 236 256 A I H 3> S+ 0 0 14 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.920 118.0 57.4 -62.4 -45.4 12.7 14.4 32.2 237 257 A P H 34 S+ 0 0 87 0, 0.0 -1,-0.2 0, 0.0 4,-0.2 0.864 112.6 44.7 -53.2 -31.2 11.9 18.0 32.9 238 258 A D H X4 S+ 0 0 69 -3,-0.5 3,-1.0 2,-0.2 4,-0.3 0.812 106.3 57.6 -83.5 -31.0 14.6 17.8 35.6 239 259 A I H >< S+ 0 0 1 -4,-2.1 3,-2.0 1,-0.2 6,-0.2 0.914 101.3 59.3 -57.1 -40.8 17.1 15.9 33.4 240 260 A K T 3< S+ 0 0 85 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.677 105.9 48.1 -63.6 -17.3 16.8 18.9 31.1 241 261 A K T < S+ 0 0 152 -3,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.372 85.6 123.3-100.9 1.0 18.0 21.1 34.0 242 262 A D <> - 0 0 6 -3,-2.0 4,-1.5 -4,-0.3 5,-0.1 -0.295 67.0-126.8 -66.8 148.2 21.0 18.8 34.8 243 263 A R T 4 S+ 0 0 181 1,-0.2 3,-0.1 2,-0.2 -1,-0.1 0.914 108.8 42.1 -64.9 -45.9 24.4 20.3 34.8 244 264 A W T >4 S+ 0 0 1 -27,-0.4 3,-2.0 1,-0.2 -1,-0.2 0.906 108.8 60.1 -66.6 -41.9 26.0 17.8 32.4 245 265 A Y T 34 S+ 0 0 16 1,-0.3 -1,-0.2 -6,-0.2 -2,-0.2 0.856 113.8 38.0 -52.4 -35.1 22.9 17.9 30.2 246 266 A N T 3< S+ 0 0 99 -4,-1.5 -1,-0.3 -3,-0.1 -2,-0.2 0.240 88.5 121.9-103.4 13.2 23.6 21.6 29.7 247 267 A K < - 0 0 77 -3,-2.0 2,-0.3 -5,-0.1 -3,-0.1 -0.631 66.0-123.0 -80.0 124.6 27.4 21.5 29.5 248 268 A P - 0 0 122 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 -0.535 38.1-176.8 -66.5 126.3 28.9 22.9 26.3 249 269 A L + 0 0 48 -2,-0.3 2,-0.4 -164,-0.1 0, 0.0 -0.975 12.7 179.7-130.2 142.9 31.0 20.1 24.8 250 270 A K 0 0 196 -2,-0.4 -166,-0.1 0, 0.0 -164,-0.0 -0.987 360.0 360.0-144.8 129.3 33.2 20.1 21.7 251 271 A K 0 0 166 -2,-0.4 -2,-0.0 -168,-0.1 0, 0.0 -0.332 360.0 360.0 -68.6 360.0 35.3 17.3 20.2