==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 09-MAY-05 2BRN . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE CHK1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.FOLOPPE,L.M.FISHER,R.HOWES,P.KIERSTAN,A.POTTER, . 268 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13478.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 168 62.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 43 16.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 22 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 66 24.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 3 0 0 1 0 1 1 0 0 0 0 0 0 1 0 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 5 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 3 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 0 112 0, 0.0 22,-0.1 0, 0.0 25,-0.1 0.000 360.0 360.0 360.0 -13.8 14.5 1.5 37.4 2 7 A E + 0 0 98 21,-0.1 2,-1.3 2,-0.0 21,-0.0 0.432 360.0 114.9-122.3 -6.4 15.6 -1.1 34.8 3 8 A D - 0 0 104 1,-0.1 2,-0.8 2,-0.0 21,-0.6 -0.540 56.6-159.4 -69.6 95.5 14.2 -4.3 36.4 4 9 A W E -A 23 0A 47 -2,-1.3 2,-0.3 19,-0.2 19,-0.2 -0.719 7.3-156.2 -93.4 108.0 11.7 -5.0 33.6 5 10 A D E -A 22 0A 98 17,-1.4 2,-1.1 -2,-0.8 17,-0.8 -0.609 18.2-130.9 -73.8 137.5 8.8 -7.3 34.5 6 11 A L + 0 0 83 -2,-0.3 15,-0.2 15,-0.2 3,-0.2 -0.792 31.3 179.7 -90.9 95.3 7.2 -9.1 31.5 7 12 A V - 0 0 86 -2,-1.1 2,-0.4 13,-0.4 -1,-0.2 0.991 57.9 -8.8 -62.8 -69.8 3.6 -8.3 32.2 8 13 A Q - 0 0 96 12,-0.0 12,-2.1 0, 0.0 -1,-0.2 -0.991 67.5-112.5-140.7 127.3 1.7 -9.9 29.3 9 14 A T E -B 19 0B 71 -2,-0.4 10,-0.3 10,-0.2 3,-0.1 -0.392 37.0-174.0 -53.4 130.8 2.8 -11.6 26.1 10 15 A L E - 0 0 73 8,-1.6 2,-0.3 1,-0.3 9,-0.2 0.806 50.2 -14.8-110.3 -43.9 1.5 -9.2 23.5 11 16 A G E -B 18 0B 32 7,-1.2 7,-0.6 2,-0.0 2,-0.3 -0.859 56.2-121.5-148.7-171.7 2.0 -10.7 20.0 12 17 A E - 0 0 147 -2,-0.3 5,-0.2 5,-0.2 2,-0.1 -0.926 17.2-166.5-146.2 114.0 3.9 -13.5 18.2 13 18 A G - 0 0 36 -2,-0.3 3,-0.1 2,-0.3 -2,-0.0 -0.431 37.6-114.0 -83.8 168.3 6.3 -13.1 15.3 14 19 A A S S+ 0 0 107 1,-0.2 2,-1.1 -2,-0.1 -1,-0.1 0.940 118.4 57.2 -62.8 -49.5 7.5 -15.9 13.1 15 20 A Y S S- 0 0 96 20,-0.1 -2,-0.3 -3,-0.0 -1,-0.2 -0.757 131.5 -61.0 -79.7 97.2 10.9 -15.2 14.7 16 21 A G S S- 0 0 33 -2,-1.1 2,-0.3 -4,-0.1 19,-0.2 -0.355 73.9 -76.0 74.4-134.5 10.0 -15.6 18.4 17 22 A E E - C 0 34B 49 17,-1.8 17,-1.5 -5,-0.2 2,-0.3 -0.942 28.1-120.6-169.1 145.2 7.4 -13.4 20.2 18 23 A V E -BC 11 33B 37 -7,-0.6 -8,-1.6 -2,-0.3 -7,-1.2 -0.694 24.6-166.9 -93.1 147.3 6.9 -9.9 21.7 19 24 A Q E -BC 9 32B 36 13,-1.1 13,-1.8 -2,-0.3 -10,-0.2 -0.980 24.8-116.8-129.1 144.4 6.1 -9.2 25.3 20 25 A L E - C 0 31B 15 -12,-2.1 -13,-0.4 -2,-0.3 2,-0.3 -0.532 30.3-162.1 -68.7 146.8 4.9 -6.1 27.2 21 26 A A E - C 0 30B 0 9,-1.8 9,-1.1 -15,-0.2 2,-0.4 -0.760 7.7-174.7-142.7 91.2 7.5 -4.9 29.7 22 27 A V E -A 5 0A 27 -17,-0.8 -17,-1.4 -2,-0.3 7,-0.2 -0.717 23.9-124.7 -91.6 134.6 6.5 -2.5 32.5 23 28 A N E -A 4 0A 6 -2,-0.4 -19,-0.2 5,-0.4 -21,-0.1 -0.287 13.2-123.5 -76.8 160.8 9.1 -1.1 34.8 24 29 A R S S+ 0 0 166 -21,-0.6 -1,-0.1 2,-0.1 -20,-0.1 0.986 97.9 11.4 -66.8 -64.9 9.0 -1.4 38.6 25 30 A V S S+ 0 0 114 1,-0.1 -1,-0.1 3,-0.0 -2,-0.0 0.856 136.6 36.0 -89.7 -39.8 9.2 2.2 39.9 26 31 A T S S- 0 0 77 2,-0.1 3,-0.1 -25,-0.1 -2,-0.1 0.750 87.3-142.5 -88.3 -27.0 8.6 4.4 36.8 27 32 A E + 0 0 142 1,-0.2 2,-0.9 -26,-0.0 -3,-0.1 0.678 35.8 167.5 69.9 21.0 6.1 2.1 35.0 28 33 A E - 0 0 103 -6,-0.1 -5,-0.4 1,-0.0 2,-0.3 -0.549 25.1-148.1 -72.2 104.8 7.7 2.9 31.6 29 34 A A + 0 0 34 -2,-0.9 50,-0.5 -7,-0.2 2,-0.3 -0.559 24.0 168.7 -78.2 136.0 6.1 0.3 29.3 30 35 A V E -C 21 0B 0 -9,-1.1 -9,-1.8 -2,-0.3 2,-0.4 -0.881 33.8-111.0-135.1 170.7 8.1 -0.9 26.3 31 36 A A E -CD 20 77B 13 46,-2.8 46,-2.6 -2,-0.3 2,-0.5 -0.842 23.1-157.4-103.5 144.2 7.9 -3.7 23.8 32 37 A V E -CD 19 76B 1 -13,-1.8 -13,-1.1 -2,-0.4 2,-0.4 -0.815 0.3-161.1-130.5 88.4 10.4 -6.6 23.9 33 38 A K E -CD 18 75B 14 42,-1.7 42,-2.7 -2,-0.5 2,-0.5 -0.595 16.2-163.7 -66.6 122.0 10.8 -8.5 20.6 34 39 A I E +CD 17 74B 14 -17,-1.5 -17,-1.8 -2,-0.4 2,-0.4 -0.953 14.4 170.0-120.4 115.7 12.4 -11.8 21.7 35 40 A V E - D 0 73B 17 38,-1.6 38,-2.2 -2,-0.5 2,-0.7 -0.978 28.2-140.3-132.1 124.5 14.2 -14.1 19.1 36 41 A D E - D 0 72B 43 -2,-0.4 36,-0.2 36,-0.2 -20,-0.1 -0.705 9.5-153.5 -79.8 115.6 16.3 -17.2 19.7 37 42 A M S S+ 0 0 41 34,-1.3 -1,-0.2 -2,-0.7 35,-0.1 0.712 97.6 42.6 -63.5 -22.2 19.2 -17.0 17.3 38 43 A K 0 0 73 33,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.915 360.0 360.0 -82.6 -57.2 19.4 -20.9 17.5 39 44 A R 0 0 113 2,-0.0 -2,-0.2 -24,-0.0 33,-0.0 0.987 360.0 360.0 -76.1 360.0 15.6 -21.6 17.4 40 ! 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 41 48 A C > 0 0 72 0, 0.0 2,-1.4 0, 0.0 4,-1.0 0.000 360.0 360.0 360.0 163.6 21.6 -16.1 13.9 42 49 A P T 4 + 0 0 105 0, 0.0 -5,-0.0 0, 0.0 0, 0.0 -0.150 360.0 36.3 -69.5 42.4 24.3 -13.5 14.7 43 50 A E T > S+ 0 0 120 -2,-1.4 4,-1.4 3,-0.0 5,-0.2 0.365 104.4 56.6-155.4 -50.3 23.6 -11.6 11.4 44 51 A N T 4 S+ 0 0 53 1,-0.2 4,-0.4 2,-0.2 -7,-0.0 0.811 123.2 31.2 -65.4 -32.7 19.9 -11.5 10.4 45 52 A I T X S+ 0 0 12 -4,-1.0 4,-1.4 2,-0.2 -1,-0.2 0.547 112.4 64.3 -98.8 -15.1 19.0 -9.9 13.8 46 53 A K H > S+ 0 0 81 -5,-0.3 4,-1.4 2,-0.2 -2,-0.2 0.740 104.8 47.7 -74.8 -25.6 22.4 -8.1 14.1 47 54 A K H X S+ 0 0 74 -4,-1.4 4,-2.2 2,-0.2 5,-0.2 0.801 108.2 54.5 -82.3 -34.7 21.4 -6.1 11.0 48 55 A E H > S+ 0 0 8 -4,-0.4 4,-1.7 2,-0.2 -2,-0.2 0.874 113.4 42.0 -63.5 -40.6 17.9 -5.3 12.5 49 56 A I H X S+ 0 0 6 -4,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.898 113.9 51.6 -72.1 -43.1 19.5 -3.9 15.6 50 57 A C H X S+ 0 0 78 -4,-1.4 4,-0.6 2,-0.2 -2,-0.2 0.848 112.5 44.8 -66.8 -37.5 22.2 -2.0 13.7 51 58 A I H >X S+ 0 0 4 -4,-2.2 3,-1.1 1,-0.2 4,-1.1 0.915 111.1 56.0 -67.4 -43.3 19.7 -0.4 11.4 52 59 A N H 3< S+ 0 0 6 -4,-1.7 11,-0.3 1,-0.3 -2,-0.2 0.803 98.1 61.1 -58.3 -33.2 17.5 0.4 14.5 53 60 A K H 3< S+ 0 0 130 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.784 105.5 48.6 -67.6 -27.6 20.4 2.2 16.1 54 61 A M H << S+ 0 0 73 -3,-1.1 2,-0.3 -4,-0.6 -1,-0.2 0.813 92.4 97.1 -73.9 -34.0 20.4 4.7 13.2 55 62 A L < + 0 0 10 -4,-1.1 8,-0.5 -3,-0.1 2,-0.2 -0.440 33.1 151.8 -79.8 124.9 16.7 5.3 13.3 56 63 A N + 0 0 107 -2,-0.3 2,-0.3 6,-0.1 5,-0.1 -0.672 25.0 126.5-147.6 85.3 15.2 8.3 15.1 57 64 A H > - 0 0 23 3,-0.5 3,-1.5 -2,-0.2 53,-0.1 -0.988 61.8-122.8-141.2 151.8 11.9 9.6 13.6 58 65 A E T 3 S+ 0 0 127 -2,-0.3 4,-0.1 1,-0.3 52,-0.1 0.691 114.4 47.0 -68.1 -20.7 8.4 10.3 15.0 59 66 A N T 3 S+ 0 0 14 79,-0.1 80,-2.5 2,-0.1 2,-0.4 -0.082 101.0 80.2-109.5 30.2 6.8 7.8 12.5 60 67 A V B < S-f 139 0C 2 -3,-1.5 -3,-0.5 78,-0.3 80,-0.1 -0.964 92.3-106.2-140.0 119.0 9.3 5.0 13.2 61 68 A V - 0 0 11 78,-1.3 -6,-0.1 -2,-0.4 -2,-0.1 -0.206 44.9-121.5 -44.1 113.3 9.2 2.7 16.2 62 69 A K - 0 0 66 -4,-0.1 16,-2.4 15,-0.1 2,-0.6 -0.229 14.6-138.7 -62.3 147.4 12.0 3.9 18.5 63 70 A F E +E 77 0B 26 -8,-0.5 14,-0.2 -11,-0.3 3,-0.1 -0.958 22.2 176.3-112.3 115.6 14.8 1.5 19.5 64 71 A Y E - 0 0 106 12,-2.3 2,-0.3 -2,-0.6 13,-0.2 0.912 52.7 -62.4 -86.6 -49.2 15.8 1.9 23.1 65 72 A G E -E 76 0B 18 11,-1.1 11,-2.6 2,-0.0 2,-0.3 -0.982 39.3-122.6-176.0-173.4 18.4 -0.9 23.5 66 73 A H E -E 75 0B 42 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.982 7.7-152.7-148.0 161.0 19.3 -4.6 23.5 67 74 A R E -E 74 0B 102 7,-1.2 7,-1.6 -2,-0.3 -2,-0.0 -0.994 13.2-142.5-139.8 150.2 20.8 -7.3 25.7 68 75 A R + 0 0 129 -2,-0.3 -1,-0.1 5,-0.2 0, 0.0 0.946 22.1 176.2 -84.7 -55.7 22.8 -10.4 24.7 69 76 A E > - 0 0 126 2,-0.1 3,-1.0 4,-0.1 2,-0.8 0.838 56.8 -89.5 54.6 47.8 21.6 -13.1 27.1 70 77 A G T 3 S+ 0 0 79 1,-0.3 -1,-0.1 0, 0.0 0, 0.0 -0.397 107.9 2.0 62.0-100.3 23.6 -16.1 25.6 71 78 A N T 3 S+ 0 0 87 -2,-0.8 -34,-1.3 -35,-0.0 -1,-0.3 0.918 121.4 65.4 -87.0 -50.6 21.3 -17.6 23.0 72 79 A I E < -D 36 0B 53 -3,-1.0 2,-0.3 -36,-0.2 -36,-0.2 -0.549 69.3-148.4 -79.5 138.6 18.2 -15.4 23.0 73 80 A Q E -D 35 0B 2 -38,-2.2 -38,-1.6 -2,-0.2 2,-0.5 -0.817 6.2-149.2-102.6 148.0 18.4 -11.7 21.9 74 81 A Y E -DE 34 67B 51 -7,-1.6 -7,-1.2 -2,-0.3 2,-0.5 -0.977 6.4-164.8-123.6 122.4 16.2 -9.0 23.4 75 82 A L E -DE 33 66B 0 -42,-2.7 -42,-1.7 -2,-0.5 2,-0.6 -0.933 8.1-155.1-110.5 121.1 15.1 -6.0 21.3 76 83 A F E +DE 32 65B 14 -11,-2.6 -12,-2.3 -2,-0.5 -11,-1.1 -0.868 25.3 168.5-106.1 120.2 13.7 -3.1 23.3 77 84 A L E -DE 31 63B 21 -46,-2.6 -46,-2.8 -2,-0.6 -14,-0.2 -0.930 41.0 -78.3-140.7 150.2 11.3 -0.9 21.3 78 85 A E - 0 0 25 -16,-2.4 2,-0.5 -2,-0.3 -48,-0.1 -0.161 50.5-121.0 -46.9 130.8 8.7 1.9 21.6 79 86 A Y - 0 0 59 -50,-0.5 2,-0.7 -48,-0.0 -1,-0.1 -0.688 21.8-164.2 -83.8 127.8 5.3 0.6 22.8 80 87 A C > - 0 0 12 -2,-0.5 3,-1.4 52,-0.1 51,-0.2 -0.874 5.7-175.2-113.2 95.3 2.4 1.2 20.4 81 88 A S T 3 S+ 0 0 61 -2,-0.7 51,-0.2 1,-0.3 -1,-0.1 0.684 78.0 67.8 -68.3 -19.3 -0.8 0.7 22.4 82 89 A G T 3 S- 0 0 38 49,-1.3 -1,-0.3 1,-0.2 50,-0.2 0.702 91.3-154.6 -70.8 -23.4 -2.9 1.2 19.2 83 90 A G E < -G 131 0C 27 -3,-1.4 48,-2.7 48,-0.9 -1,-0.2 -0.520 42.4 -10.4 84.2-149.3 -1.6 -2.0 17.7 84 91 A E E > -G 130 0C 70 46,-0.2 3,-0.9 -2,-0.2 46,-0.2 -0.558 48.2-134.4 -91.1 151.4 -1.6 -2.7 13.9 85 92 A L G > S+ 0 0 0 44,-2.4 3,-0.8 41,-1.2 42,-0.2 0.636 102.4 77.8 -73.0 -16.3 -3.2 -0.6 11.2 86 93 A F G > S+ 0 0 90 40,-1.3 3,-0.9 43,-0.3 -1,-0.2 0.855 91.3 51.3 -55.8 -37.1 -4.4 -3.9 9.8 87 94 A D G < S+ 0 0 108 -3,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.533 100.7 61.0 -85.4 -7.6 -7.1 -3.9 12.5 88 95 A R G < S+ 0 0 76 -3,-0.8 2,-0.6 -4,-0.2 -1,-0.2 0.319 89.2 85.3 -95.2 5.3 -8.3 -0.4 11.7 89 96 A I S < S- 0 0 20 -3,-0.9 6,-0.2 -4,-0.2 105,-0.1 -0.919 72.1-150.5-109.4 106.8 -9.2 -1.7 8.1 90 97 A E B >> -I 94 0D 90 4,-2.2 4,-2.4 -2,-0.6 3,-1.6 -0.597 32.9 -99.4 -74.9 130.4 -12.6 -3.3 8.0 91 98 A P T 34 S+ 0 0 102 0, 0.0 107,-0.2 0, 0.0 106,-0.1 -0.265 101.3 3.0 -50.7 135.2 -12.8 -6.1 5.3 92 99 A D T 34 S+ 0 0 95 105,-1.5 105,-0.2 1,-0.2 106,-0.1 0.381 133.5 52.3 64.3 2.5 -14.5 -4.9 2.0 93 100 A I T <4 S- 0 0 119 -3,-1.6 2,-0.7 104,-0.1 104,-0.3 0.611 78.3-163.4-122.7 -48.9 -14.9 -1.3 3.2 94 101 A G B < -I 90 0D 1 -4,-2.4 -4,-2.2 102,-0.3 101,-0.3 -0.888 41.5 -60.5 101.7-111.0 -11.6 -0.1 4.4 95 102 A M - 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0 0 0 -2,-0.1 3,-1.0 1,-0.1 4,-0.6 -0.499 20.5-118.4 -84.7 153.5 6.4 -4.5 -6.7 169 176 A P H >> S+ 0 0 0 0, 0.0 4,-1.8 0, 0.0 3,-0.7 0.779 111.3 59.8 -62.4 -30.5 6.4 -6.1 -10.2 170 177 A E H 34 S+ 0 0 4 1,-0.2 4,-0.5 2,-0.2 12,-0.0 0.722 93.8 66.8 -69.7 -24.1 10.2 -5.4 -10.9 171 178 A L H <4 S+ 0 0 12 -3,-1.0 -1,-0.2 1,-0.2 6,-0.0 0.830 109.9 36.7 -62.4 -34.0 11.0 -7.5 -7.8 172 179 A L H << S+ 0 0 58 -3,-0.7 -2,-0.2 -4,-0.6 -1,-0.2 0.831 126.5 32.8 -88.5 -38.9 9.7 -10.6 -9.7 173 180 A K S < S+ 0 0 100 -4,-1.8 -3,-0.2 3,-0.0 -2,-0.1 0.972 103.6 66.6 -84.1 -65.7 10.9 -9.8 -13.3 174 181 A R - 0 0 111 -4,-0.5 3,-0.1 -5,-0.1 0, 0.0 -0.134 66.7-140.0 -67.1 149.8 14.2 -7.9 -13.1 175 182 A R S S+ 0 0 198 1,-0.2 2,-0.3 -16,-0.0 -1,-0.1 0.857 92.1 16.4 -68.8 -39.3 17.5 -9.3 -11.9 176 183 A E S S+ 0 0 77 -20,-0.0 2,-0.3 -6,-0.0 -18,-0.2 -0.958 72.0 166.7-139.4 155.9 18.2 -6.0 -10.2 177 184 A F B -L 157 0G 5 -20,-1.6 -20,-2.5 -2,-0.3 2,-0.2 -0.985 37.2 -85.6-163.3 162.6 16.2 -2.9 -9.2 178 185 A H - 0 0 87 -2,-0.3 4,-0.4 -22,-0.2 -22,-0.1 -0.497 28.5-143.0 -80.5 152.4 16.0 0.3 -7.3 179 186 A A S >> S+ 0 0 0 -24,-0.3 4,-1.3 -2,-0.2 3,-0.7 0.916 88.7 58.6 -81.8 -48.7 14.9 0.3 -3.6 180 187 A E H 3> S+ 0 0 64 1,-0.3 4,-1.9 2,-0.2 3,-0.4 0.864 103.8 49.2 -58.2 -48.5 12.9 3.4 -3.3 181 188 A P H 3> S+ 0 0 24 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 0.766 105.7 59.6 -63.9 -24.8 10.2 2.7 -6.0 182 189 A V H <> S+ 0 0 14 -3,-0.7 4,-1.5 -4,-0.4 -2,-0.2 0.851 107.6 46.1 -67.9 -35.1 9.7 -0.8 -4.4 183 190 A D H X S+ 0 0 1 -4,-1.3 4,-1.8 -3,-0.4 -1,-0.2 0.872 109.2 54.5 -72.7 -38.4 8.7 1.0 -1.2 184 191 A V H X S+ 0 0 5 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.901 106.5 52.8 -60.5 -41.8 6.5 3.4 -3.0 185 192 A W H X S+ 0 0 0 -4,-1.8 4,-1.4 1,-0.2 3,-0.3 0.931 108.8 48.1 -59.8 -49.5 4.6 0.5 -4.6 186 193 A S H X S+ 0 0 6 -4,-1.5 4,-1.8 1,-0.2 -1,-0.2 0.812 109.1 54.2 -63.2 -32.6 4.0 -1.2 -1.2 187 194 A C H X S+ 0 0 1 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.825 106.9 52.0 -68.5 -34.0 2.7 2.1 0.2 188 195 A G H X S+ 0 0 0 -4,-1.6 4,-1.5 -3,-0.3 -2,-0.2 0.766 107.6 51.2 -72.6 -28.5 0.3 2.3 -2.7 189 196 A I H X S+ 0 0 0 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.873 108.4 52.8 -71.9 -38.9 -1.0 -1.2 -1.9 190 197 A V H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.887 106.9 52.0 -62.7 -39.1 -1.4 -0.0 1.7 191 198 A L H X S+ 0 0 0 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.907 108.0 52.3 -63.4 -41.3 -3.5 3.0 0.5 192 199 A T H X S+ 0 0 0 -4,-1.5 4,-1.8 1,-0.2 6,-0.4 0.894 109.4 49.1 -60.2 -41.9 -5.7 0.6 -1.5 193 200 A A H X S+ 0 0 5 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.909 110.6 50.0 -66.2 -43.7 -6.3 -1.6 1.6 194 201 A M H < S+ 0 0 1 -4,-2.2 -99,-1.1 1,-0.2 -1,-0.2 0.795 119.8 36.9 -62.8 -30.2 -7.2 1.4 3.7 195 202 A L H < S+ 0 0 13 -4,-1.6 -2,-0.2 -101,-0.3 -1,-0.2 0.628 131.1 24.2-100.5 -16.9 -9.7 2.7 1.1 196 203 A A H < S- 0 0 0 -4,-1.8 -102,-0.3 2,-0.2 -3,-0.2 0.574 88.6-129.8-125.0 -22.3 -11.2 -0.6 -0.2 197 204 A G S < S+ 0 0 13 -4,-2.0 -105,-1.5 -5,-0.4 2,-0.3 0.504 80.0 78.9 78.0 4.8 -10.8 -3.1 2.6 198 205 A E S S- 0 0 50 -6,-0.4 -1,-0.2 -107,-0.2 -2,-0.2 -0.975 80.1-114.8-138.7 157.0 -9.3 -5.6 0.2 199 206 A L - 0 0 68 -2,-0.3 3,-0.1 1,-0.1 -33,-0.1 -0.678 24.8-135.3 -83.6 142.5 -6.0 -6.3 -1.6 200 207 A P S S- 0 0 8 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.843 74.9 -9.3 -69.3 -34.7 -6.1 -6.0 -5.4 201 208 A W - 0 0 4 -36,-0.2 7,-0.0 1,-0.1 0, 0.0 -0.972 57.4-114.9-158.4 166.0 -4.1 -9.2 -6.2 202 209 A D S S- 0 0 114 1,-0.3 -36,-0.1 -2,-0.3 -1,-0.1 0.763 100.2 -12.7 -77.3 -27.6 -2.0 -12.1 -4.8 203 210 A Q - 0 0 64 2,-0.1 2,-2.0 -38,-0.1 -1,-0.3 -0.923 68.8-107.0-170.5 147.0 1.1 -10.8 -6.8 204 211 A P S S+ 0 0 0 0, 0.0 2,-0.3 0, 0.0 -32,-0.2 -0.406 73.1 127.7 -81.2 64.7 1.9 -8.3 -9.6 205 212 A S S > S- 0 0 16 -2,-2.0 3,-2.4 1,-0.1 6,-0.3 -0.920 70.1-124.5-121.1 144.9 2.5 -11.0 -12.2 206 213 A D T 3 S+ 0 0 95 -2,-0.3 6,-0.2 1,-0.3 -1,-0.1 0.798 111.5 68.7 -58.8 -27.9 1.0 -11.3 -15.7 207 214 A S T 3 S+ 0 0 110 4,-0.1 2,-0.6 5,-0.0 -1,-0.3 0.451 85.8 86.5 -65.8 -1.2 -0.1 -14.8 -14.6 208 215 A C <> - 0 0 11 -3,-2.4 4,-1.6 1,-0.2 3,-0.4 -0.925 67.8-157.2-106.8 117.2 -2.5 -12.9 -12.2 209 216 A Q H > S+ 0 0 116 -2,-0.6 4,-1.9 1,-0.2 5,-0.2 0.903 91.6 55.0 -59.0 -44.7 -5.8 -11.9 -13.8 210 217 A E H > S+ 0 0 88 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.796 107.4 50.0 -65.0 -30.5 -6.5 -9.1 -11.3 211 218 A Y H > S+ 0 0 1 -3,-0.4 4,-1.7 -6,-0.3 -1,-0.2 0.854 109.5 50.9 -73.5 -36.6 -3.2 -7.5 -12.1 212 219 A S H X S+ 0 0 20 -4,-1.6 4,-1.3 -7,-0.2 -2,-0.2 0.817 107.5 54.2 -68.3 -32.3 -3.8 -7.6 -15.9 213 220 A D H <>S+ 0 0 21 -4,-1.9 5,-2.5 2,-0.2 -1,-0.2 0.845 107.6 50.0 -69.0 -36.6 -7.2 -6.0 -15.3 214 221 A W H ><5S+ 0 0 8 -4,-1.1 3,-1.3 1,-0.2 -2,-0.2 0.880 109.5 50.8 -67.5 -39.6 -5.6 -3.1 -13.5 215 222 A K H 3<5S+ 0 0 70 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.772 107.3 54.2 -67.8 -27.5 -3.1 -2.7 -16.3 216 223 A E T 3<5S- 0 0 121 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.318 116.2-118.9 -87.3 5.6 -6.0 -2.6 -18.8 217 224 A K T < 5 + 0 0 142 -3,-1.3 2,-2.2 1,-0.2 -3,-0.2 0.717 57.1 157.4 64.5 25.6 -7.5 0.2 -16.7 218 225 A K > < + 0 0 57 -5,-2.5 3,-1.4 1,-0.2 -1,-0.2 -0.452 3.7 157.7 -78.4 69.7 -10.7 -1.8 -15.8 219 226 A T T 3 + 0 0 42 -2,-2.2 -1,-0.2 1,-0.3 -5,-0.1 0.210 55.9 81.4 -87.2 16.3 -11.4 0.3 -12.7 220 227 A Y T 3 S+ 0 0 143 4,-0.1 -1,-0.3 5,-0.1 2,-0.1 0.463 77.1 93.0 -90.5 -9.0 -15.0 -0.8 -12.8 221 228 A L S <> S- 0 0 57 -3,-1.4 4,-1.8 -8,-0.1 5,-0.2 -0.349 94.7 -81.3 -85.7 175.2 -14.0 -4.0 -11.1 222 229 A N H > S+ 0 0 64 1,-0.2 4,-1.1 2,-0.2 3,-0.2 0.773 113.4 42.1 -64.6 -57.7 -14.0 -4.4 -7.3 223 230 A P H >4 S+ 0 0 15 0, 0.0 3,-0.8 0, 0.0 -1,-0.2 0.953 123.9 39.0 -51.2 -50.3 -11.0 -3.0 -5.4 224 231 A W H >> S+ 0 0 8 1,-0.2 3,-1.2 2,-0.2 4,-0.5 0.705 103.8 65.7 -78.5 -25.4 -10.9 0.2 -7.5 225 232 A K H 3< S+ 0 0 133 -4,-1.8 -1,-0.2 1,-0.2 -3,-0.1 0.768 99.8 54.5 -70.1 -23.7 -14.7 0.8 -7.9 226 233 A K T << S+ 0 0 61 -4,-1.1 -1,-0.2 -3,-0.8 -2,-0.2 0.504 98.9 71.9 -80.7 -5.6 -15.0 1.4 -4.1 227 234 A I T <4 S- 0 0 12 -3,-1.2 2,-0.1 -4,-0.1 -2,-0.1 0.985 85.8-118.0 -86.0 -83.0 -12.3 4.1 -4.1 228 235 A D X - 0 0 77 -4,-0.5 4,-2.8 1,-0.1 5,-0.3 -0.367 25.2 -96.6 139.3 140.6 -13.0 7.6 -5.7 229 236 A S H > S+ 0 0 83 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.869 115.8 52.0 -50.5 -51.7 -11.5 9.5 -8.6 230 237 A A H > S+ 0 0 5 1,-0.2 4,-0.9 2,-0.2 27,-0.4 0.929 118.6 32.7 -57.0 -59.3 -9.1 11.7 -6.5 231 238 A P H > S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 3,-0.3 0.842 115.9 59.4 -64.6 -33.4 -7.3 8.9 -4.5 232 239 A L H X S+ 0 0 20 -4,-2.8 4,-1.5 1,-0.2 -2,-0.2 0.809 100.9 56.0 -63.3 -31.7 -7.7 6.4 -7.5 233 240 A A H X S+ 0 0 32 -4,-2.1 4,-0.9 -3,-0.3 -1,-0.2 0.797 106.0 50.3 -71.4 -31.8 -5.7 8.9 -9.6 234 241 A L H X S+ 0 0 0 -4,-0.9 4,-1.7 -3,-0.3 3,-0.4 0.898 109.9 49.8 -67.5 -43.5 -2.8 8.8 -7.1 235 242 A L H X S+ 0 0 0 -4,-1.9 4,-2.9 1,-0.2 -2,-0.2 0.797 105.9 57.8 -65.8 -29.5 -2.9 4.9 -7.2 236 243 A H H < S+ 0 0 65 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.821 110.8 42.8 -65.9 -34.6 -2.8 5.2 -11.0 237 244 A K H < S+ 0 0 86 -4,-0.9 10,-2.1 -3,-0.4 3,-0.3 0.734 119.7 43.0 -83.6 -24.8 0.5 7.1 -10.6 238 245 A I H < S+ 0 0 0 -4,-1.7 2,-1.6 1,-0.2 -2,-0.2 0.889 107.0 57.1 -85.7 -45.9 1.9 4.8 -7.9 239 246 A L S < S+ 0 0 7 -4,-2.9 2,-0.5 -5,-0.2 -1,-0.2 -0.389 72.6 140.7 -91.7 59.8 0.9 1.4 -9.3 240 247 A V - 0 0 38 -2,-1.6 6,-0.2 -3,-0.3 -3,-0.1 -0.892 51.0-139.4-104.2 128.4 2.8 1.9 -12.6 241 248 A E S S+ 0 0 60 -2,-0.5 -71,-0.2 4,-0.1 -1,-0.1 0.874 87.7 69.8 -62.8 -42.9 4.5 -1.3 -13.7 242 249 A N S >> S- 0 0 74 1,-0.2 4,-1.1 -73,-0.1 3,-0.7 -0.686 74.1-152.5 -76.1 112.6 7.7 0.4 -15.0 243 250 A P T 34 S+ 0 0 19 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.685 95.4 58.3 -61.9 -18.2 9.5 1.7 -11.8 244 251 A S T 34 S+ 0 0 100 1,-0.2 -3,-0.0 -63,-0.0 -2,-0.0 0.849 109.2 43.3 -73.7 -39.4 11.1 4.5 -13.9 245 252 A A T <4 S+ 0 0 66 -3,-0.7 -1,-0.2 2,-0.1 -4,-0.1 0.602 94.6 110.0 -77.8 -15.4 7.7 5.8 -14.9 246 253 A R S < S- 0 0 9 -4,-1.1 -8,-0.2 -6,-0.2 -9,-0.1 -0.304 78.5-102.7 -65.5 145.3 6.4 5.3 -11.3 247 254 A I - 0 0 18 -10,-2.1 2,-0.2 -13,-0.1 -1,-0.1 -0.335 33.6-137.3 -66.0 147.9 5.7 8.4 -9.2 248 255 A T >> - 0 0 72 1,-0.1 4,-1.2 -64,-0.0 3,-0.6 -0.632 24.4-105.1-103.3 166.5 8.3 9.4 -6.6 249 256 A I H 3> S+ 0 0 11 1,-0.2 4,-1.7 2,-0.2 3,-0.4 0.877 117.9 57.3 -65.1 -41.1 7.6 10.6 -3.1 250 257 A P H 34 S+ 0 0 79 0, 0.0 4,-0.3 0, 0.0 -1,-0.2 0.857 112.2 44.9 -54.3 -35.1 8.3 14.3 -3.7 251 258 A D H <4 S+ 0 0 76 -3,-0.6 -2,-0.2 2,-0.2 4,-0.1 0.651 104.7 60.2 -84.0 -20.0 5.6 14.1 -6.5 252 259 A I H >< S+ 0 0 0 -4,-1.2 3,-0.9 -3,-0.4 -1,-0.2 0.807 101.7 56.4 -69.0 -30.9 3.2 12.2 -4.2 253 260 A K T 3< S+ 0 0 97 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.707 106.0 49.9 -73.3 -21.2 3.4 15.3 -2.0 254 261 A K T 3 S+ 0 0 149 -4,-0.3 -1,-0.2 -5,-0.2 -2,-0.2 0.396 86.7 122.3 -94.0 0.5 2.3 17.4 -4.9 255 262 A D <> - 0 0 3 -3,-0.9 4,-1.4 -4,-0.1 5,-0.1 -0.260 67.6-125.9 -67.6 150.7 -0.7 15.1 -5.7 256 263 A R T 4 S+ 0 0 149 1,-0.2 3,-0.4 2,-0.2 4,-0.2 0.961 108.3 39.1 -61.7 -57.5 -4.3 16.5 -5.7 257 264 A W T >4 S+ 0 0 0 -27,-0.4 3,-0.8 1,-0.2 -1,-0.2 0.824 109.8 61.6 -63.9 -36.5 -5.8 14.1 -3.2 258 265 A Y T 34 S+ 0 0 22 1,-0.2 -1,-0.2 -6,-0.2 -2,-0.2 0.873 114.8 34.3 -55.4 -40.6 -2.7 14.1 -1.0 259 266 A N T 3< S+ 0 0 96 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.256 90.1 119.5-101.5 8.8 -3.2 17.8 -0.4 260 267 A K < - 0 0 88 -3,-0.8 2,-0.4 -4,-0.2 -3,-0.0 -0.640 68.7-123.5 -72.4 124.2 -7.1 17.7 -0.5 261 268 A P + 0 0 121 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.613 56.0 136.1 -73.4 125.5 -8.4 18.9 2.9 262 269 A L + 0 0 49 -2,-0.4 2,-0.3 1,-0.2 -163,-0.1 0.550 47.0 69.8-134.5 -34.7 -10.6 16.3 4.5 263 270 A K - 0 0 96 -165,-0.2 -1,-0.2 -166,-0.1 2,-0.0 -0.784 62.0-139.7-111.3 141.0 -9.8 15.9 8.2 264 271 A K - 0 0 194 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 -0.185 30.1 -95.4 -82.7 176.1 -10.3 18.2 11.2 265 272 A G - 0 0 74 1,-0.2 2,-0.2 4,-0.0 -1,-0.2 -0.023 59.0 -58.5 -79.3-171.1 -8.0 18.9 14.2 266 273 A A - 0 0 70 1,-0.1 2,-0.7 3,-0.0 -1,-0.2 -0.513 58.6-106.6 -74.9 139.5 -8.0 17.2 17.6 267 274 A K S S- 0 0 100 1,-0.3 -1,-0.1 -2,-0.2 -3,-0.0 -0.561 96.1 -15.0 -72.6 109.3 -11.2 17.5 19.7 268 275 A R 0 0 113 -2,-0.7 -1,-0.3 1,-0.2 -2,-0.0 0.884 360.0 360.0 65.6 43.7 -10.5 20.0 22.5 269 276 A P 0 0 121 0, 0.0 -1,-0.2 0, 0.0 -4,-0.0 -0.675 360.0 360.0-163.0 360.0 -6.7 20.0 22.1