==== 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 2BRO . 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, . 272 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14337.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 178 65.4 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 . 47 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 . 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 . 20 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 68 25.0 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 1 1 0 1 0 0 1 0 1 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 3 1 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 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 2 A A 0 0 158 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -23.8 21.5 9.4 40.2 2 3 A V - 0 0 112 1,-0.2 0, 0.0 2,-0.0 0, 0.0 -0.852 360.0-129.8 -97.2 132.7 18.6 7.4 38.7 3 4 A P - 0 0 93 0, 0.0 2,-1.4 0, 0.0 3,-0.2 0.460 54.1 -52.0 -56.8-158.4 16.8 5.0 41.2 4 5 A F S > S+ 0 0 155 1,-0.2 3,-0.6 2,-0.1 24,-0.1 -0.189 91.1 132.8 -69.2 45.2 15.9 1.2 40.7 5 6 A V T 3 + 0 0 37 -2,-1.4 -1,-0.2 1,-0.2 25,-0.2 0.319 48.7 61.8 -96.6 7.4 14.3 2.2 37.4 6 7 A E T 3 + 0 0 116 -3,-0.2 2,-0.8 2,-0.1 -1,-0.2 0.082 60.4 116.6-127.2 26.1 15.7 -0.4 34.8 7 8 A D < - 0 0 81 -3,-0.6 21,-0.8 2,-0.0 2,-0.7 -0.858 56.9-146.5 -92.8 110.2 14.5 -3.9 36.0 8 9 A W E -A 27 0A 64 -2,-0.8 2,-0.4 19,-0.2 19,-0.2 -0.692 15.6-171.4 -89.3 113.7 12.2 -5.1 33.1 9 10 A D E -A 26 0A 77 17,-2.4 17,-2.1 -2,-0.7 2,-1.1 -0.890 24.4-126.2-105.5 133.4 9.3 -7.3 34.2 10 11 A L E +A 25 0A 80 -2,-0.4 15,-0.2 15,-0.2 3,-0.1 -0.642 30.2 175.2 -85.6 95.2 7.1 -9.0 31.6 11 12 A V E - 0 0 90 13,-1.5 2,-0.3 -2,-1.1 -1,-0.2 0.979 61.0 -20.4 -59.8 -65.5 3.4 -8.0 32.3 12 13 A Q E -A 24 0A 97 12,-0.8 12,-3.3 0, 0.0 2,-0.3 -0.971 65.4 -99.6-147.0 159.0 1.7 -9.7 29.3 13 14 A T E -A 23 0A 62 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.618 20.5-162.5 -79.5 142.7 2.3 -11.1 25.8 14 15 A L E - 0 0 70 8,-3.0 2,-0.2 1,-0.4 9,-0.2 0.411 56.0 -86.3-102.1 -6.2 1.3 -8.7 23.0 15 16 A G E -A 22 0A 29 7,-1.0 7,-2.8 0, 0.0 -1,-0.4 -0.662 58.3 -26.0 132.1 177.6 1.3 -11.5 20.4 16 17 A E - 0 0 147 5,-0.2 5,-0.2 -2,-0.2 -3,-0.0 -0.647 24.5-171.6 -96.5 162.0 3.4 -13.6 18.0 17 18 A G - 0 0 24 -2,-0.2 2,-1.9 3,-0.2 4,-0.2 0.149 26.6-143.4 151.2-110.4 5.7 -13.7 16.3 18 19 A A S S+ 0 0 101 2,-0.5 3,-0.0 1,-0.2 -2,-0.0 -0.488 115.0 44.3 73.7 -62.6 7.1 -16.0 13.7 19 20 A Y S S- 0 0 110 -2,-1.9 21,-1.4 24,-0.1 -1,-0.2 0.677 140.5 -72.8 -80.3 -22.0 10.6 -15.3 15.0 20 21 A G E S- B 0 39A 28 19,-0.2 -2,-0.5 23,-0.1 2,-0.3 -0.610 71.7 -51.0 173.4 -99.3 9.2 -15.7 18.6 21 22 A E E - B 0 38A 70 17,-1.6 17,-2.9 -4,-0.2 2,-0.4 -0.982 32.1-128.7-163.7 158.3 6.9 -13.4 20.6 22 23 A V E -AB 15 37A 43 -7,-2.8 -8,-3.0 -2,-0.3 -7,-1.0 -0.966 25.0-168.6-118.6 137.5 6.5 -9.8 21.8 23 24 A Q E -AB 13 36A 29 13,-2.1 13,-2.4 -2,-0.4 2,-0.7 -0.895 26.9-119.1-124.2 150.0 5.8 -8.9 25.4 24 25 A L E -AB 12 35A 17 -12,-3.3 -13,-1.5 -2,-0.3 -12,-0.8 -0.834 33.9-164.8 -83.7 112.2 4.8 -5.8 27.2 25 26 A A E -AB 10 34A 0 9,-2.9 9,-2.5 -2,-0.7 2,-0.3 -0.915 7.6-176.5-106.2 116.9 7.7 -5.0 29.6 26 27 A V E -AB 9 33A 24 -17,-2.1 -17,-2.4 -2,-0.6 2,-0.5 -0.776 25.4-128.9-102.7 150.0 7.0 -2.5 32.4 27 28 A N E > -A 8 0A 0 5,-0.7 4,-1.9 -2,-0.3 5,-0.4 -0.912 19.5-135.5 -94.9 132.7 9.5 -1.2 34.9 28 29 A R T 4 S+ 0 0 131 -21,-0.8 -23,-0.1 -2,-0.5 -1,-0.1 0.403 96.4 44.0 -72.5 2.6 8.0 -1.6 38.4 29 30 A V T 4 S+ 0 0 61 -22,-0.1 -1,-0.2 -24,-0.1 -24,-0.1 0.807 126.2 21.9-108.4 -58.0 9.1 1.9 39.5 30 31 A T T 4 S- 0 0 77 -25,-0.2 -2,-0.2 2,-0.1 3,-0.1 0.639 93.2-130.1 -82.1 -17.4 8.2 4.4 36.7 31 32 A E < + 0 0 157 -4,-1.9 2,-0.8 1,-0.2 -3,-0.2 0.895 45.6 172.7 52.8 45.0 5.6 2.1 35.2 32 33 A E - 0 0 118 -5,-0.4 -5,-0.7 -27,-0.1 2,-0.4 -0.763 20.0-147.7 -86.7 111.1 7.5 2.9 32.0 33 34 A A E +B 26 0A 42 -2,-0.8 50,-0.5 -7,-0.2 2,-0.3 -0.636 26.4 159.7 -86.2 128.6 6.1 0.6 29.2 34 35 A V E -B 25 0A 8 -9,-2.5 -9,-2.9 -2,-0.4 2,-0.3 -0.913 35.3-119.4-132.1 167.4 8.2 -0.8 26.4 35 36 A A E -BC 24 81A 11 46,-3.1 46,-2.9 -2,-0.3 2,-0.5 -0.801 21.5-152.3-105.4 151.1 7.7 -3.7 24.0 36 37 A V E -BC 23 80A 0 -13,-2.4 -13,-2.1 -2,-0.3 2,-0.6 -0.963 3.0-155.5-132.8 110.5 10.2 -6.5 23.9 37 38 A K E -BC 22 79A 17 42,-2.7 42,-2.8 -2,-0.5 2,-0.5 -0.780 15.6-161.6 -83.0 123.2 10.7 -8.6 20.8 38 39 A I E -BC 21 78A 19 -17,-2.9 -17,-1.6 -2,-0.6 2,-0.4 -0.953 9.4-175.7-111.4 123.4 12.1 -12.0 21.9 39 40 A V E -BC 20 77A 15 38,-2.1 38,-1.3 -2,-0.5 2,-0.8 -0.955 23.7-136.9-123.6 136.8 13.8 -14.1 19.3 40 41 A D E - C 0 76A 80 -21,-1.4 36,-0.2 -2,-0.4 -2,-0.0 -0.817 10.4-165.6 -91.0 106.5 15.2 -17.7 19.5 41 42 A M S S+ 0 0 66 34,-1.4 -1,-0.2 -2,-0.8 35,-0.1 0.738 92.3 57.3 -65.9 -23.2 18.6 -17.6 17.7 42 43 A K 0 0 77 33,-0.4 -1,-0.2 -3,-0.1 34,-0.1 0.937 360.0 360.0 -64.6 -50.0 18.4 -21.4 17.8 43 44 A R 0 0 111 -24,-0.1 -2,-0.1 0, 0.0 -24,-0.1 0.793 360.0 360.0 -71.0 360.0 15.1 -21.3 15.9 44 ! 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 45 48 A C > 0 0 140 0, 0.0 3,-1.2 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 89.8 22.1 -17.3 11.3 46 49 A P T 3> + 0 0 72 0, 0.0 4,-1.4 0, 0.0 5,-0.1 0.111 360.0 90.6 -67.0 20.1 22.3 -14.2 13.5 47 50 A E H 3> S+ 0 0 121 2,-0.2 4,-1.5 3,-0.2 5,-0.2 0.787 80.2 57.8 -83.9 -33.3 22.7 -11.9 10.4 48 51 A N H <4 S+ 0 0 63 -3,-1.2 4,-0.5 1,-0.2 -1,-0.1 0.810 120.0 29.3 -61.5 -31.8 18.9 -11.4 10.2 49 52 A I H > S+ 0 0 16 -4,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.703 114.1 57.9-104.8 -28.4 18.9 -10.0 13.7 50 53 A K H X S+ 0 0 146 -4,-1.4 4,-1.9 2,-0.2 -3,-0.2 0.865 113.7 43.6 -68.5 -36.3 22.4 -8.4 14.1 51 54 A K H X S+ 0 0 59 -4,-1.5 4,-3.3 2,-0.2 5,-0.3 0.878 109.5 56.6 -72.6 -40.2 21.5 -6.3 11.1 52 55 A E H > S+ 0 0 9 -4,-0.5 4,-1.7 -5,-0.2 -2,-0.2 0.881 111.6 42.9 -56.8 -40.4 18.0 -5.6 12.5 53 56 A I H X S+ 0 0 7 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.917 114.7 51.2 -69.7 -44.2 19.7 -4.2 15.7 54 57 A C H X S+ 0 0 74 -4,-1.9 4,-0.5 2,-0.2 3,-0.2 0.937 112.9 43.0 -59.5 -52.6 22.2 -2.3 13.6 55 58 A I H >X S+ 0 0 4 -4,-3.3 3,-1.3 1,-0.2 4,-0.7 0.906 111.4 57.3 -59.5 -39.9 19.6 -0.7 11.3 56 59 A N H >< S+ 0 0 5 -4,-1.7 3,-0.7 -5,-0.3 11,-0.4 0.837 98.9 59.4 -63.4 -31.8 17.4 0.0 14.4 57 60 A K H 3< S+ 0 0 139 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.660 102.6 54.2 -71.0 -18.2 20.3 2.0 16.1 58 61 A M H << S+ 0 0 84 -3,-1.3 2,-0.3 -4,-0.5 -1,-0.2 0.719 89.9 96.9 -81.0 -24.0 20.3 4.4 13.2 59 62 A L << + 0 0 13 -3,-0.7 8,-0.4 -4,-0.7 2,-0.1 -0.508 32.9 153.9 -88.2 135.2 16.6 5.3 13.3 60 63 A N + 0 0 121 -2,-0.3 2,-0.3 6,-0.1 5,-0.1 -0.566 27.4 121.8-156.3 82.3 15.2 8.3 15.1 61 64 A H > - 0 0 29 3,-0.4 3,-1.4 -2,-0.1 53,-0.0 -0.993 62.9-121.8-146.1 148.9 11.9 9.6 13.8 62 65 A E T 3 S+ 0 0 132 -2,-0.3 4,-0.1 1,-0.2 52,-0.1 0.709 113.9 46.7 -59.3 -29.6 8.3 10.2 15.1 63 66 A N T 3 S+ 0 0 13 79,-0.1 80,-3.3 50,-0.1 2,-0.4 0.076 103.1 77.1-102.4 26.4 6.7 7.8 12.5 64 67 A V B < S-e 143 0B 1 -3,-1.4 -3,-0.4 78,-0.3 80,-0.2 -1.000 93.0-104.5-136.4 126.5 9.3 5.0 13.1 65 68 A V - 0 0 8 78,-2.2 -6,-0.1 -2,-0.4 2,-0.1 -0.335 42.6-121.2 -53.8 120.1 9.3 2.7 16.2 66 69 A K - 0 0 80 -2,-0.1 16,-2.5 -4,-0.1 2,-0.4 -0.367 16.7-139.1 -68.4 140.8 12.0 3.8 18.6 67 70 A F E +D 81 0A 33 -8,-0.4 14,-0.2 -11,-0.4 3,-0.1 -0.876 21.5 176.8-101.1 134.4 14.8 1.4 19.5 68 71 A Y E - 0 0 117 12,-2.6 2,-0.3 -2,-0.4 13,-0.2 0.688 52.6 -69.6-111.4 -24.6 15.9 1.4 23.2 69 72 A G E -D 80 0A 19 11,-1.0 11,-2.4 2,-0.0 -1,-0.4 -0.947 41.9-107.7 157.4-174.7 18.5 -1.4 23.4 70 73 A H E -D 79 0A 47 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.946 11.4-141.2-147.3 167.1 19.1 -5.1 23.3 71 74 A R E -D 78 0A 66 7,-1.4 7,-1.6 -2,-0.3 -2,-0.0 -0.996 6.3-168.0-139.0 128.9 20.0 -8.1 25.4 72 75 A R > + 0 0 139 -2,-0.4 4,-0.6 5,-0.2 -1,-0.2 0.960 21.2 166.5 -78.1 -58.9 22.3 -11.1 24.7 73 76 A E T >4 - 0 0 109 2,-0.1 3,-1.2 1,-0.1 2,-0.6 0.892 70.0 -65.8 38.0 64.3 21.3 -13.3 27.7 74 77 A G T 34 S- 0 0 75 1,-0.2 -1,-0.1 0, 0.0 0, 0.0 -0.555 115.5 -10.4 72.1-112.9 22.9 -16.5 26.4 75 78 A N T 34 S+ 0 0 80 -2,-0.6 -34,-1.4 1,-0.0 2,-0.5 0.297 117.3 85.8-103.4 6.2 21.2 -17.7 23.2 76 79 A I E << -C 40 0A 55 -3,-1.2 2,-0.3 -4,-0.6 -36,-0.2 -0.936 62.2-152.0-119.9 115.2 18.1 -15.4 23.3 77 80 A Q E -C 39 0A 15 -38,-1.3 -38,-2.1 -2,-0.5 2,-0.5 -0.675 7.8-159.6 -85.5 137.9 18.1 -11.8 21.9 78 81 A Y E -CD 38 71A 60 -7,-1.6 -7,-1.4 -2,-0.3 2,-0.5 -0.980 1.7-163.9-118.3 117.7 15.8 -9.2 23.4 79 82 A L E -CD 37 70A 1 -42,-2.8 -42,-2.7 -2,-0.5 2,-0.5 -0.924 8.4-153.9-102.8 125.8 14.9 -6.1 21.4 80 83 A F E +CD 36 69A 16 -11,-2.4 -12,-2.6 -2,-0.5 -11,-1.0 -0.865 25.0 174.0-103.8 129.2 13.4 -3.3 23.5 81 84 A L E -CD 35 67A 26 -46,-2.9 -46,-3.1 -2,-0.5 -14,-0.2 -0.986 40.0 -80.9-148.2 140.9 11.1 -1.0 21.4 82 85 A E - 0 0 19 -16,-2.5 2,-0.4 -2,-0.3 -48,-0.1 -0.145 54.0-122.2 -36.2 121.0 8.7 1.9 21.6 83 86 A Y - 0 0 58 -50,-0.5 2,-0.7 -18,-0.0 -1,-0.1 -0.653 21.1-162.9 -79.4 130.5 5.4 0.5 22.7 84 87 A C > - 0 0 14 -2,-0.4 3,-1.1 1,-0.1 51,-0.2 -0.909 5.7-175.3-116.8 100.5 2.5 1.0 20.4 85 88 A S T 3 S+ 0 0 60 -2,-0.7 51,-0.2 1,-0.3 -1,-0.1 0.743 75.1 68.6 -75.1 -24.9 -0.7 0.4 22.4 86 89 A G T 3 S- 0 0 20 49,-1.3 -1,-0.3 1,-0.2 50,-0.2 0.510 92.6-146.7 -66.8 -5.3 -3.0 0.9 19.4 87 90 A G E < -F 135 0B 30 -3,-1.1 48,-2.0 48,-0.5 2,-0.2 -0.309 44.2 -14.1 66.5-154.4 -1.9 -2.3 17.7 88 91 A E E > -F 134 0B 64 46,-0.2 3,-1.7 1,-0.1 4,-0.2 -0.572 47.2-131.0 -93.5 141.7 -1.7 -2.7 13.9 89 92 A L G > S+ 0 0 0 44,-2.7 3,-1.6 41,-0.8 4,-0.3 0.762 106.6 73.9 -53.8 -31.7 -3.1 -0.6 11.1 90 93 A F G > S+ 0 0 95 40,-1.2 3,-1.1 43,-0.3 -1,-0.3 0.856 90.4 54.6 -49.5 -42.1 -4.3 -3.9 9.8 91 94 A D G < S+ 0 0 116 -3,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.526 100.0 60.6 -77.5 -4.5 -7.0 -4.1 12.6 92 95 A R G < S+ 0 0 88 -3,-1.6 2,-0.7 -4,-0.2 -1,-0.2 0.377 86.6 90.1 -94.3 -0.1 -8.5 -0.7 11.6 93 96 A I S < S- 0 0 26 -3,-1.1 6,-0.2 -4,-0.3 105,-0.1 -0.869 70.3-147.4-103.7 116.0 -9.3 -1.9 8.2 94 97 A E B >> -H 98 0C 124 4,-2.3 4,-2.1 -2,-0.7 3,-1.8 -0.679 32.0-105.0 -77.1 122.5 -12.8 -3.4 7.9 95 98 A P T 34 S+ 0 0 97 0, 0.0 107,-0.2 0, 0.0 106,-0.1 -0.183 101.0 2.1 -48.7 134.9 -12.8 -6.2 5.3 96 99 A D T 34 S+ 0 0 98 105,-2.3 105,-0.2 1,-0.2 106,-0.1 0.210 133.3 57.2 73.4 -13.2 -14.5 -5.1 2.0 97 100 A I T <4 S- 0 0 112 -3,-1.8 2,-0.5 104,-0.2 104,-0.2 0.808 77.4-163.7-109.9 -59.4 -15.1 -1.5 3.4 98 101 A G B < -H 94 0C 3 -4,-2.1 -4,-2.3 102,-0.2 101,-0.2 -0.914 38.7 -66.4 107.1-121.1 -11.7 -0.0 4.4 99 102 A M - 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0 0 10 -3,-0.8 -5,-0.1 -4,-0.7 16,-0.0 -0.423 69.2-120.3 -81.5 143.1 5.7 -6.5 -3.8 172 175 A A >> - 0 0 0 -2,-0.1 3,-1.3 1,-0.1 4,-0.7 -0.576 22.2-115.2 -85.6 154.9 6.3 -4.5 -6.9 173 176 A P H >> S+ 0 0 0 0, 0.0 4,-0.9 0, 0.0 3,-0.8 0.794 108.0 62.2 -63.6 -35.0 6.5 -6.2 -10.4 174 177 A E H 3> S+ 0 0 6 71,-0.3 4,-2.4 1,-0.2 72,-0.0 0.722 94.9 62.4 -63.3 -25.0 10.2 -5.4 -11.1 175 178 A L H <4 S+ 0 0 9 -3,-1.3 -1,-0.2 1,-0.2 6,-0.0 0.844 109.8 39.8 -74.7 -25.1 11.3 -7.4 -8.1 176 179 A L H << S+ 0 0 56 -3,-0.8 -2,-0.2 -4,-0.7 -1,-0.2 0.599 125.5 37.8 -87.0 -15.0 9.8 -10.5 -9.7 177 180 A K H < S+ 0 0 74 -4,-0.9 2,-0.3 1,-0.1 -2,-0.2 0.871 106.9 60.5-101.8 -38.9 10.9 -9.7 -13.2 178 181 A R < - 0 0 150 -4,-2.4 -1,-0.1 -5,-0.1 3,-0.1 -0.631 63.7-141.3-104.7 144.3 14.4 -8.1 -12.9 179 182 A R S S+ 0 0 199 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.903 95.3 15.7 -61.6 -47.5 17.7 -9.4 -11.6 180 183 A E S S+ 0 0 84 -3,-0.0 2,-0.3 -6,-0.0 -18,-0.2 -0.925 73.6 166.2-128.8 156.4 18.5 -6.0 -10.1 181 184 A F B -K 161 0F 12 -20,-1.7 -20,-2.5 -2,-0.3 2,-0.2 -0.977 40.4 -86.2-166.4 155.3 16.3 -3.0 -9.4 182 185 A H - 0 0 89 -2,-0.3 4,-0.5 -22,-0.2 -22,-0.1 -0.513 31.0-140.2 -73.7 143.0 16.2 0.4 -7.4 183 186 A A S >> S+ 0 0 0 -24,-0.4 4,-1.5 -2,-0.2 3,-0.9 0.898 89.3 58.8 -71.5 -43.2 15.0 0.2 -3.8 184 187 A E H 3> S+ 0 0 68 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.894 99.7 53.0 -66.4 -45.3 12.9 3.3 -3.5 185 188 A P H 3> S+ 0 0 25 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 0.748 106.4 57.6 -57.9 -24.0 10.2 2.7 -6.2 186 189 A V H <> S+ 0 0 15 -3,-0.9 4,-1.8 -4,-0.5 -2,-0.2 0.906 106.5 46.6 -76.4 -45.5 9.6 -0.7 -4.5 187 190 A D H X S+ 0 0 1 -4,-1.5 4,-1.9 1,-0.2 -1,-0.2 0.911 111.0 53.2 -57.1 -41.4 8.8 1.0 -1.2 188 191 A V H X S+ 0 0 5 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.901 106.2 53.3 -61.9 -40.8 6.5 3.5 -3.0 189 192 A W H X S+ 0 0 0 -4,-1.8 4,-1.9 1,-0.2 3,-0.4 0.923 106.9 50.6 -60.4 -47.8 4.6 0.6 -4.7 190 193 A S H X S+ 0 0 7 -4,-1.8 4,-2.4 1,-0.3 -1,-0.2 0.861 106.2 55.3 -66.6 -30.7 3.9 -1.1 -1.4 191 194 A C H X S+ 0 0 1 -4,-1.9 4,-2.1 2,-0.2 -1,-0.3 0.852 105.8 54.8 -63.9 -33.3 2.6 2.2 0.1 192 195 A G H X S+ 0 0 0 -4,-1.5 4,-2.1 -3,-0.4 -2,-0.2 0.892 108.2 46.9 -61.9 -42.9 0.2 2.2 -2.9 193 196 A I H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.918 110.1 53.0 -69.2 -39.9 -1.0 -1.2 -2.0 194 197 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.929 109.3 49.2 -59.1 -43.2 -1.4 -0.1 1.6 195 198 A L H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.863 110.0 51.1 -62.2 -43.5 -3.6 2.9 0.5 196 199 A T H X S+ 0 0 0 -4,-2.1 4,-1.7 2,-0.2 6,-0.4 0.927 110.4 49.2 -56.6 -50.2 -5.7 0.7 -1.7 197 200 A A H X S+ 0 0 5 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.919 111.2 50.7 -55.3 -43.7 -6.2 -1.7 1.3 198 201 A M H < S+ 0 0 1 -4,-2.5 -99,-1.1 1,-0.2 -1,-0.2 0.822 117.5 37.8 -66.7 -32.7 -7.2 1.3 3.5 199 202 A L H < S+ 0 0 14 -4,-1.7 -1,-0.2 -101,-0.2 -2,-0.2 0.602 131.2 25.7 -93.7 -17.0 -9.7 2.7 1.1 200 203 A A H < S- 0 0 0 -4,-1.7 -102,-0.2 2,-0.2 -3,-0.2 0.573 89.4-129.8-123.8 -17.4 -11.2 -0.6 -0.2 201 204 A G S < S+ 0 0 12 -4,-2.5 -105,-2.3 -5,-0.4 2,-0.3 0.715 80.1 79.6 71.1 20.3 -10.7 -3.1 2.5 202 205 A E S S- 0 0 59 -6,-0.4 -1,-0.2 -107,-0.2 -2,-0.2 -0.990 78.8-115.3-157.1 152.1 -9.2 -5.6 0.1 203 206 A L - 0 0 67 -2,-0.3 3,-0.1 1,-0.1 -33,-0.1 -0.747 22.6-137.5 -88.9 135.3 -6.0 -6.3 -1.8 204 207 A P S S- 0 0 7 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.855 75.3 -4.4 -66.7 -35.0 -6.1 -5.9 -5.6 205 208 A W - 0 0 6 -36,-0.2 7,-0.0 1,-0.1 8,-0.0 -0.992 57.6-118.9-156.0 158.2 -4.1 -9.1 -6.5 206 209 A D S S- 0 0 120 -2,-0.3 -36,-0.1 1,-0.3 -1,-0.1 0.835 100.8 -12.7 -64.6 -35.8 -2.1 -12.0 -5.1 207 210 A Q S S- 0 0 66 2,-0.1 2,-1.7 -38,-0.1 -1,-0.3 -0.959 71.1-106.6-165.5 147.3 1.0 -10.8 -6.9 208 211 A P S S+ 0 0 0 0, 0.0 2,-0.3 0, 0.0 -32,-0.1 -0.363 70.9 131.8 -79.0 59.2 1.8 -8.3 -9.7 209 212 A S S > S- 0 0 19 -2,-1.7 3,-1.5 1,-0.1 7,-0.2 -0.847 70.3-122.1-110.2 149.4 2.4 -10.9 -12.4 210 213 A D T 3 S+ 0 0 101 -2,-0.3 6,-0.1 1,-0.3 -1,-0.1 0.710 113.6 66.3 -54.1 -20.9 1.2 -11.2 -16.0 211 214 A S T 3 S+ 0 0 106 1,-0.1 2,-0.5 4,-0.0 -1,-0.3 0.124 86.4 84.5 -86.8 21.2 -0.2 -14.6 -14.8 212 215 A C <> - 0 0 11 -3,-1.5 4,-2.2 1,-0.1 3,-0.5 -0.942 64.5-159.7-133.8 107.8 -2.6 -12.8 -12.5 213 216 A Q H > S+ 0 0 106 -2,-0.5 4,-1.9 1,-0.3 5,-0.1 0.836 92.1 55.8 -63.9 -34.1 -5.8 -11.6 -14.1 214 217 A E H > S+ 0 0 93 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.910 110.8 47.2 -63.4 -38.6 -6.6 -9.0 -11.4 215 218 A Y H > S+ 0 0 1 -3,-0.5 4,-1.7 -8,-0.2 -2,-0.2 0.902 111.4 49.1 -69.6 -40.2 -3.2 -7.5 -12.2 216 219 A S H X S+ 0 0 15 -4,-2.2 4,-1.3 -7,-0.2 -1,-0.2 0.774 106.1 58.7 -66.3 -27.8 -3.8 -7.6 -16.0 217 220 A D H <>S+ 0 0 27 -4,-1.9 5,-2.0 -5,-0.2 -1,-0.2 0.924 105.6 49.3 -69.6 -41.5 -7.2 -6.0 -15.4 218 221 A W H ><5S+ 0 0 6 -4,-1.5 3,-1.6 2,-0.2 -2,-0.2 0.874 107.0 52.3 -59.1 -47.7 -5.4 -3.0 -13.7 219 222 A K H 3<5S+ 0 0 57 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.851 110.2 53.1 -59.6 -29.1 -2.9 -2.6 -16.5 220 223 A E T 3<5S- 0 0 117 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.387 114.0-119.9 -88.6 1.8 -6.0 -2.5 -18.8 221 224 A K T < 5 + 0 0 131 -3,-1.6 2,-2.2 1,-0.2 -3,-0.2 0.728 54.3 157.2 67.4 30.0 -7.7 0.3 -16.8 222 225 A K > < + 0 0 50 -5,-2.0 3,-1.4 1,-0.2 -1,-0.2 -0.433 5.1 157.1 -82.0 69.1 -10.8 -1.7 -15.9 223 226 A T T 3 + 0 0 45 -2,-2.2 -1,-0.2 1,-0.3 -5,-0.1 0.312 56.3 81.3 -82.6 10.3 -11.5 0.5 -12.8 224 227 A Y T 3 S+ 0 0 150 -3,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.493 84.2 78.1 -84.8 -9.4 -15.1 -0.6 -12.9 225 228 A L S X> S- 0 0 54 -3,-1.4 4,-1.3 1,-0.1 3,-0.6 -0.614 90.8 -55.5 -93.6 162.7 -14.1 -3.7 -11.1 226 229 A N T 34 S+ 0 0 70 1,-0.3 -1,-0.1 2,-0.2 -2,-0.1 -0.428 112.6 21.2 -68.9 150.1 -13.2 -4.2 -7.4 227 230 A P T >4 S+ 0 0 3 0, 0.0 3,-1.6 0, 0.0 -1,-0.3 -0.998 122.8 53.8 -85.8 -1.0 -11.4 -2.9 -5.6 228 231 A W G X> S+ 0 0 10 -3,-0.6 3,-1.3 1,-0.3 4,-0.5 0.716 98.5 64.4 -71.2 -25.1 -11.1 0.2 -7.6 229 232 A K G 3< S+ 0 0 134 -4,-1.3 -1,-0.3 1,-0.3 -3,-0.1 0.746 97.8 56.5 -69.9 -24.8 -14.8 0.9 -7.9 230 233 A K G <4 S+ 0 0 63 -3,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.588 95.9 76.1 -75.5 -6.6 -15.0 1.4 -4.1 231 234 A I T <4 S- 0 0 6 -3,-1.3 -2,-0.1 -4,-0.2 -1,-0.1 0.946 84.4-117.4 -87.3 -55.0 -12.3 4.2 -4.1 232 235 A D X - 0 0 77 -4,-0.5 4,-2.1 1,-0.1 5,-0.2 0.047 30.0 -99.6 112.2 133.4 -13.2 7.8 -5.4 233 236 A S H > S+ 0 0 83 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.806 114.0 55.1 -57.2 -42.0 -11.6 9.5 -8.3 234 237 A A H > S+ 0 0 0 2,-0.2 4,-1.4 1,-0.2 3,-0.4 0.960 115.3 34.4 -59.2 -63.0 -9.1 11.7 -6.4 235 238 A P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.805 116.3 59.3 -60.3 -28.6 -7.2 8.9 -4.4 236 239 A L H X S+ 0 0 22 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.854 101.6 53.3 -66.4 -33.8 -7.7 6.6 -7.4 237 240 A A H X S+ 0 0 36 -4,-1.8 4,-0.8 -3,-0.4 -1,-0.2 0.866 109.2 49.0 -71.8 -34.7 -5.8 9.1 -9.6 238 241 A L H >X S+ 0 0 0 -4,-1.4 4,-1.9 2,-0.2 3,-0.9 0.934 108.8 52.8 -62.9 -46.6 -3.0 9.0 -7.0 239 242 A L H 3X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.3 -2,-0.2 0.882 102.6 58.5 -59.8 -35.4 -3.1 5.2 -7.2 240 243 A H H 3< S+ 0 0 67 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.794 109.8 45.2 -64.2 -26.5 -2.8 5.4 -11.0 241 244 A K H << S+ 0 0 86 -3,-0.9 10,-2.0 -4,-0.8 3,-0.4 0.791 117.1 43.5 -83.0 -29.0 0.5 7.2 -10.5 242 245 A I H < S+ 0 0 0 -4,-1.9 2,-1.5 1,-0.2 -2,-0.2 0.895 106.7 57.8 -84.3 -44.8 1.8 4.9 -7.8 243 246 A L S < S+ 0 0 5 -4,-3.0 2,-0.5 -5,-0.2 -1,-0.2 -0.350 72.0 141.3 -91.0 59.1 0.9 1.5 -9.3 244 247 A V - 0 0 41 -2,-1.5 6,-0.2 -3,-0.4 5,-0.1 -0.877 49.3-141.9-103.2 124.7 2.8 2.0 -12.5 245 248 A E S S+ 0 0 73 -2,-0.5 -71,-0.3 4,-0.1 -1,-0.1 0.911 86.4 70.0 -58.6 -48.9 4.5 -1.2 -13.8 246 249 A N S >> S- 0 0 92 1,-0.2 4,-1.3 -73,-0.1 3,-1.1 -0.609 74.6-151.8 -71.6 113.8 7.8 0.6 -15.0 247 250 A P T 34 S+ 0 0 36 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.687 93.8 57.3 -65.5 -18.7 9.6 1.7 -11.9 248 251 A S T 34 S+ 0 0 104 1,-0.2 -2,-0.1 -63,-0.0 -3,-0.0 0.707 110.1 43.3 -82.7 -26.4 11.2 4.6 -13.8 249 252 A A T <4 S+ 0 0 66 -3,-1.1 -1,-0.2 2,-0.1 3,-0.1 0.638 92.6 109.2 -82.4 -19.8 7.8 6.0 -14.8 250 253 A R S < S- 0 0 10 -4,-1.3 -8,-0.2 -6,-0.2 -9,-0.1 -0.241 80.4-101.2 -62.6 141.2 6.4 5.4 -11.2 251 254 A I - 0 0 20 -10,-2.0 2,-0.2 1,-0.1 -1,-0.1 -0.324 34.8-134.3 -59.5 145.1 5.8 8.6 -9.2 252 255 A T > - 0 0 75 -3,-0.1 4,-1.7 1,-0.1 3,-0.2 -0.571 24.7-104.4 -95.8 165.3 8.3 9.5 -6.6 253 256 A I H > S+ 0 0 11 2,-0.2 4,-2.2 1,-0.2 3,-0.4 0.928 118.8 56.3 -57.6 -49.0 7.6 10.7 -3.0 254 257 A P H 4 S+ 0 0 77 0, 0.0 4,-0.3 0, 0.0 -1,-0.2 0.897 111.2 46.4 -50.2 -40.5 8.3 14.4 -3.7 255 258 A D H >4 S+ 0 0 75 1,-0.2 3,-0.7 2,-0.2 -2,-0.2 0.785 105.8 58.1 -73.5 -29.2 5.7 14.2 -6.5 256 259 A I H >< S+ 0 0 1 -4,-1.7 3,-1.6 -3,-0.4 6,-0.2 0.896 101.1 57.4 -63.5 -40.2 3.2 12.3 -4.2 257 260 A K T 3< S+ 0 0 88 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.637 106.3 50.8 -64.1 -13.4 3.4 15.3 -1.8 258 261 A K T < S+ 0 0 143 -3,-0.7 -1,-0.3 -4,-0.3 -2,-0.2 0.386 86.7 119.3-100.4 -1.6 2.2 17.5 -4.7 259 262 A D <> - 0 0 3 -3,-1.6 4,-1.7 -4,-0.2 5,-0.1 -0.361 69.3-125.4 -73.2 150.0 -0.7 15.3 -5.6 260 263 A R T 4 S+ 0 0 146 1,-0.2 4,-0.1 2,-0.2 -1,-0.1 0.868 107.5 42.2 -67.6 -46.6 -4.2 16.6 -5.4 261 264 A W T >4 S+ 0 0 0 -27,-0.4 3,-1.4 2,-0.2 -1,-0.2 0.885 110.3 58.6 -63.3 -42.5 -5.8 14.1 -3.1 262 265 A Y T 34 S+ 0 0 23 1,-0.3 -2,-0.2 -6,-0.2 -1,-0.2 0.852 113.7 39.1 -55.3 -36.6 -2.7 14.1 -0.8 263 266 A N T 3< S+ 0 0 97 -4,-1.7 -1,-0.3 2,-0.1 -2,-0.2 0.278 88.5 120.1 -97.6 7.5 -3.3 17.9 -0.3 264 267 A K < - 0 0 86 -3,-1.4 2,-0.3 -5,-0.1 -3,-0.0 -0.598 67.4-122.5 -75.5 128.6 -7.1 17.8 -0.1 265 268 A P + 0 0 122 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.585 56.6 137.4 -70.7 127.9 -8.6 19.1 3.1 266 269 A L + 0 0 56 -2,-0.3 2,-0.4 1,-0.3 -163,-0.1 0.516 48.8 58.9-138.7 -38.8 -10.7 16.3 4.6 267 270 A K - 0 0 100 -165,-0.2 -1,-0.3 -166,-0.1 2,-0.1 -0.912 67.1-132.6-123.4 130.2 -10.1 16.0 8.3 268 271 A K - 0 0 199 -2,-0.4 3,-0.1 1,-0.1 0, 0.0 -0.343 42.7 -86.3 -72.1 152.3 -10.6 18.4 11.2 269 272 A G S S- 0 0 70 1,-0.1 -1,-0.1 -2,-0.1 0, 0.0 0.002 74.8 -39.2 -56.3 165.9 -7.9 18.9 13.8 270 273 A A - 0 0 89 1,-0.1 -1,-0.1 3,-0.0 0, 0.0 0.237 54.2-118.3 -34.1 138.5 -7.5 16.7 16.9 271 274 A K S S+ 0 0 122 -3,-0.1 -1,-0.1 2,-0.1 -2,-0.1 0.804 99.1 53.6 -46.1 -39.1 -10.6 15.6 18.8 272 275 A R 0 0 75 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.382 360.0 360.0 -93.7 173.7 -9.4 17.5 21.9 273 276 A P 0 0 156 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.002 360.0 360.0 47.8 360.0 -8.4 21.1 22.4