==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 08-MAR-10 2X8D . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE CHK1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.A.READ,J.BREED,H.HAYE,E.MCCALL,S.ROWSELL,A.VALLENTINE, A.W . 279 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15086.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 186 66.7 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 . 51 18.3 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 . 3 1.1 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 . 24 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 68 24.4 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 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 0 1 3 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 0 154 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 108.3 20.4 5.8 42.1 2 3 A V > - 0 0 97 1,-0.1 3,-1.2 2,-0.0 27,-0.1 -0.686 360.0-122.7 -80.5 115.5 16.7 4.8 42.5 3 4 A P T 3 S+ 0 0 85 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.241 87.2 13.8 -58.6 144.4 16.3 1.1 43.4 4 5 A F T > S+ 0 0 112 1,-0.1 3,-1.9 25,-0.0 24,-0.3 0.313 84.2 121.4 81.2 -5.3 14.2 -1.2 41.1 5 6 A V T < S+ 0 0 57 -3,-1.2 25,-0.1 1,-0.3 -1,-0.1 0.635 72.2 54.7 -69.1 -14.3 14.0 1.3 38.2 6 7 A E T 3 S+ 0 0 173 21,-0.1 2,-0.4 22,-0.0 -1,-0.3 0.284 88.3 102.8 -98.6 9.4 15.7 -1.1 35.7 7 8 A D < - 0 0 72 -3,-1.9 21,-2.7 2,-0.0 2,-0.4 -0.813 49.0-175.2 -97.0 132.1 13.1 -3.8 36.5 8 9 A W E -A 27 0A 71 -2,-0.4 2,-0.5 19,-0.2 19,-0.2 -0.990 17.0-144.3-128.1 129.6 10.2 -4.5 34.0 9 10 A D E -A 26 0A 94 17,-2.8 17,-2.4 -2,-0.4 2,-0.7 -0.822 16.3-137.1 -89.3 130.4 7.3 -6.9 34.4 10 11 A L E +A 25 0A 87 -2,-0.5 15,-0.2 15,-0.2 3,-0.1 -0.810 34.8 164.6 -87.4 115.9 6.2 -8.6 31.2 11 12 A V E + 0 0 86 13,-2.5 2,-0.3 -2,-0.7 -1,-0.1 0.575 52.3 18.7-115.2 -14.7 2.4 -8.4 31.3 12 13 A Q E -A 24 0A 103 12,-0.8 12,-3.4 0, 0.0 2,-0.5 -0.933 65.6-121.7-162.4 132.8 1.0 -9.2 27.8 13 14 A T E -A 23 0A 64 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.695 26.5-178.6 -74.4 122.1 2.1 -10.8 24.5 14 15 A L E - 0 0 64 8,-2.8 2,-0.3 -2,-0.5 9,-0.2 0.794 64.8 -17.7 -90.9 -37.0 1.7 -8.2 21.8 15 16 A G E -A 22 0A 23 7,-1.5 7,-2.9 2,-0.0 -1,-0.4 -0.968 59.2-167.0-165.1 159.2 2.8 -10.4 18.8 16 17 A E E +A 21 0A 142 -2,-0.3 5,-0.2 5,-0.3 2,-0.2 -0.917 26.7 109.7-161.4 129.6 4.6 -13.7 18.2 17 18 A G S S- 0 0 50 3,-1.9 -2,-0.0 -2,-0.3 0, 0.0 -0.543 73.5 -17.5-159.1-130.3 6.2 -15.5 15.2 18 19 A A S S+ 0 0 102 1,-0.2 3,-0.1 -2,-0.2 25,-0.0 0.934 128.1 45.7 -64.6 -57.8 9.5 -16.6 13.6 19 20 A Y S S- 0 0 65 1,-0.1 21,-0.7 20,-0.1 2,-0.3 0.816 121.3-102.8 -49.5 -38.2 12.0 -14.3 15.5 20 21 A G E - B 0 39A 26 19,-0.2 -3,-1.9 23,-0.0 2,-0.3 -0.892 58.3 -45.1 145.3-115.5 10.2 -15.1 18.8 21 22 A E E -AB 16 38A 64 17,-1.7 17,-3.0 -2,-0.3 2,-0.4 -0.969 30.7-131.6-152.9 162.2 7.8 -12.7 20.5 22 23 A V E -AB 15 37A 22 -7,-2.9 -8,-2.8 -2,-0.3 -7,-1.5 -0.993 28.3-165.5-119.4 126.2 7.1 -9.1 21.5 23 24 A Q E -AB 13 36A 17 13,-3.0 13,-3.0 -2,-0.4 2,-0.5 -0.868 24.7-118.6-112.4 145.5 5.9 -8.5 25.1 24 25 A L E -AB 12 35A 14 -12,-3.4 -13,-2.5 -2,-0.3 -12,-0.8 -0.740 36.1-161.7 -76.4 124.2 4.3 -5.4 26.7 25 26 A A E -AB 10 34A 0 9,-3.3 9,-2.5 -2,-0.5 2,-0.4 -0.937 8.3-164.8-114.6 135.2 6.8 -4.4 29.5 26 27 A V E -AB 9 33A 35 -17,-2.4 -17,-2.8 -2,-0.4 7,-0.2 -0.982 25.5-118.3-123.2 126.6 5.8 -2.2 32.5 27 28 A N E > -A 8 0A 5 5,-2.4 4,-1.6 -2,-0.4 -19,-0.2 -0.417 14.9-138.5 -68.3 129.9 8.4 -0.5 34.7 28 29 A R T 4 S+ 0 0 124 -21,-2.7 -1,-0.1 -24,-0.3 -23,-0.1 0.817 98.8 27.0 -55.2 -37.3 8.2 -1.6 38.3 29 30 A V T 4 S+ 0 0 62 -22,-0.4 -1,-0.1 -25,-0.3 -24,-0.1 0.926 133.6 26.5 -92.7 -58.2 8.8 1.9 39.6 30 31 A T T 4 S- 0 0 80 -25,-0.1 -2,-0.1 2,-0.1 3,-0.1 0.608 87.6-134.3 -87.2 -17.8 7.6 4.4 37.0 31 32 A E < + 0 0 152 -4,-1.6 -3,-0.1 1,-0.2 -1,-0.0 0.551 46.1 161.1 65.2 13.9 4.9 2.2 35.3 32 33 A E - 0 0 100 -6,-0.1 -5,-2.4 1,-0.1 2,-0.5 -0.392 33.5-136.3 -58.5 136.0 6.3 3.4 31.9 33 34 A A E +B 26 0A 37 -7,-0.2 52,-0.5 -3,-0.1 2,-0.3 -0.890 32.4 160.6-101.7 126.7 5.1 1.0 29.1 34 35 A V E -BC 25 84A 2 -9,-2.5 -9,-3.3 -2,-0.5 2,-0.4 -0.889 38.0-114.1-130.6 165.8 7.6 -0.2 26.4 35 36 A A E -BC 24 83A 6 48,-3.1 48,-3.6 -2,-0.3 2,-0.5 -0.881 24.6-158.1 -99.6 135.2 7.6 -3.2 24.0 36 37 A V E -BC 23 82A 4 -13,-3.0 -13,-3.0 -2,-0.4 2,-0.6 -0.973 3.3-154.3-116.4 118.2 10.3 -5.8 24.5 37 38 A K E -BC 22 81A 7 44,-2.9 44,-2.8 -2,-0.5 2,-0.6 -0.854 11.2-158.7 -92.3 120.4 11.2 -8.0 21.5 38 39 A I E -BC 21 80A 31 -17,-3.0 -17,-1.7 -2,-0.6 2,-0.5 -0.920 10.8-176.6-108.6 115.5 12.6 -11.3 22.7 39 40 A V E -BC 20 79A 2 40,-2.7 40,-2.7 -2,-0.6 2,-0.9 -0.947 17.2-153.7-121.8 110.2 14.8 -13.2 20.2 40 41 A D E > - C 0 78A 71 -21,-0.7 3,-1.7 -2,-0.5 4,-0.2 -0.750 8.8-160.6 -80.8 106.6 16.2 -16.7 21.0 41 42 A M T 3 S+ 0 0 22 36,-2.9 3,-0.5 -2,-0.9 6,-0.3 0.562 83.7 67.1 -69.9 -10.4 19.3 -16.8 18.7 42 43 A K T 3 S+ 0 0 74 35,-0.3 -1,-0.3 1,-0.2 36,-0.1 0.603 78.2 84.0 -82.1 -12.7 19.6 -20.6 18.9 43 44 A R S < S+ 0 0 75 -3,-1.7 2,-0.3 -24,-0.1 -1,-0.2 0.782 104.7 13.1 -61.9 -30.7 16.3 -20.9 17.0 44 45 A A > - 0 0 53 -3,-0.5 3,-0.7 -4,-0.2 -1,-0.1 -0.989 68.8-126.3-146.5 154.2 18.2 -20.6 13.6 45 46 A V T 3 S+ 0 0 151 -2,-0.3 4,-0.3 1,-0.2 -1,-0.1 0.843 113.9 43.8 -66.9 -36.3 21.8 -20.7 12.4 46 47 A D T 3> S+ 0 0 38 1,-0.2 4,-2.3 2,-0.1 -1,-0.2 0.448 89.5 92.8 -87.3 -2.9 21.5 -17.3 10.7 47 48 A C H <> S+ 0 0 14 -3,-0.7 4,-3.0 -6,-0.3 5,-0.4 0.892 77.4 57.8 -64.7 -43.4 19.6 -15.7 13.6 48 49 A P H > S+ 0 0 62 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.905 115.7 36.4 -49.9 -46.9 22.7 -14.2 15.4 49 50 A E H > S+ 0 0 137 -4,-0.3 4,-2.2 -3,-0.2 -2,-0.2 0.835 115.8 55.4 -75.9 -36.5 23.7 -12.2 12.3 50 51 A N H X S+ 0 0 96 -4,-2.3 4,-2.0 2,-0.2 -3,-0.2 0.942 111.8 41.4 -60.0 -52.1 20.1 -11.4 11.4 51 52 A I H X S+ 0 0 4 -4,-3.0 4,-2.4 1,-0.2 5,-0.2 0.863 111.0 58.4 -67.9 -35.3 19.2 -9.9 14.8 52 53 A K H X S+ 0 0 76 -4,-1.4 4,-2.6 -5,-0.4 -1,-0.2 0.931 107.8 46.5 -54.9 -47.8 22.6 -8.1 14.8 53 54 A K H X S+ 0 0 94 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.910 110.5 52.2 -63.6 -43.4 21.7 -6.4 11.5 54 55 A E H X S+ 0 0 13 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.884 111.8 46.6 -58.4 -41.1 18.2 -5.4 12.8 55 56 A I H X S+ 0 0 9 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.934 111.2 52.7 -66.2 -47.5 19.8 -3.9 15.9 56 57 A C H < S+ 0 0 71 -4,-2.6 4,-0.4 1,-0.2 -2,-0.2 0.883 111.3 45.2 -52.4 -47.6 22.4 -2.0 13.7 57 58 A I H >< S+ 0 0 4 -4,-2.5 3,-1.6 1,-0.2 4,-0.4 0.926 109.5 55.7 -66.3 -43.8 19.7 -0.5 11.5 58 59 A N H >< S+ 0 0 6 -4,-2.2 3,-1.3 1,-0.3 11,-0.3 0.827 99.9 60.0 -56.8 -34.6 17.5 0.5 14.5 59 60 A K T 3< S+ 0 0 144 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.650 101.2 56.3 -70.3 -15.7 20.5 2.4 16.0 60 61 A M T < S+ 0 0 86 -3,-1.6 2,-0.4 -4,-0.4 -1,-0.3 0.568 94.0 92.5 -84.4 -12.8 20.4 4.6 12.9 61 62 A L < + 0 0 18 -3,-1.3 8,-0.4 -4,-0.4 2,-0.2 -0.718 31.8 150.4-104.1 134.6 16.8 5.6 13.3 62 63 A N + 0 0 124 -2,-0.4 2,-0.3 6,-0.1 5,-0.1 -0.670 28.4 124.0-155.5 94.9 15.1 8.6 15.0 63 64 A H > - 0 0 35 3,-0.4 3,-1.8 -2,-0.2 53,-0.0 -0.984 62.1-122.1-154.4 144.8 11.8 9.7 13.5 64 65 A E T 3 S+ 0 0 127 -2,-0.3 4,-0.1 1,-0.3 52,-0.1 0.633 113.6 49.3 -62.7 -16.8 8.2 10.3 14.9 65 66 A N T 3 S+ 0 0 12 79,-0.1 80,-2.4 50,-0.1 2,-0.4 0.050 99.6 77.0-112.6 23.2 6.8 7.8 12.3 66 67 A V B < S-e 145 0B 1 -3,-1.8 -3,-0.4 78,-0.3 80,-0.2 -1.000 96.0-100.7-129.3 132.1 9.3 5.0 13.0 67 68 A V - 0 0 8 78,-2.5 -6,-0.1 -2,-0.4 -2,-0.1 -0.303 47.7-116.9 -52.3 119.2 9.0 2.8 16.1 68 69 A K - 0 0 106 -4,-0.1 16,-2.5 -2,-0.1 2,-0.6 -0.343 18.7-144.0 -67.1 138.1 11.6 4.2 18.5 69 70 A F E +D 83 0A 30 -8,-0.4 14,-0.2 -11,-0.3 3,-0.1 -0.922 17.5 179.9-104.2 117.8 14.5 1.9 19.5 70 71 A Y E - 0 0 101 12,-3.0 2,-0.3 -2,-0.6 13,-0.2 0.717 53.7 -83.0 -89.9 -26.2 15.5 2.4 23.2 71 72 A G E -D 82 0A 22 11,-1.0 11,-2.7 2,-0.0 -1,-0.3 -0.902 40.7-105.1 148.1-173.7 18.4 -0.1 23.2 72 73 A H E -D 81 0A 86 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.984 13.0-158.2-149.1 159.3 19.1 -3.8 23.7 73 74 A R E -D 80 0A 130 7,-1.9 7,-2.4 -2,-0.3 2,-0.4 -0.999 7.6-155.3-139.6 132.0 20.5 -6.4 26.1 74 75 A R E +D 79 0A 151 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.891 10.6 179.1-104.4 138.3 21.9 -9.8 25.5 75 76 A E E > -D 78 0A 87 3,-2.2 3,-1.8 -2,-0.4 2,-0.5 -0.877 68.1 -53.1-134.6 108.6 21.9 -12.6 28.2 76 77 A G T 3 S- 0 0 44 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.537 123.5 -17.2 63.2-115.9 23.4 -15.8 26.9 77 78 A N T 3 S+ 0 0 105 -2,-0.5 -36,-2.9 -3,-0.1 2,-0.5 0.258 115.9 96.5-106.7 10.1 21.6 -16.6 23.6 78 79 A I E < -CD 40 75A 38 -3,-1.8 -3,-2.2 -38,-0.2 2,-0.4 -0.899 56.4-158.3-104.3 125.2 18.6 -14.3 24.2 79 80 A Q E -CD 39 74A 18 -40,-2.7 -40,-2.7 -2,-0.5 2,-0.5 -0.859 4.0-160.5 -97.2 135.8 18.5 -10.8 22.7 80 81 A Y E -CD 38 73A 51 -7,-2.4 -7,-1.9 -2,-0.4 2,-0.6 -0.954 4.3-168.4-119.4 110.5 16.1 -8.2 24.2 81 82 A L E -CD 37 72A 0 -44,-2.8 -44,-2.9 -2,-0.5 2,-0.6 -0.884 11.9-148.1-101.7 123.6 15.2 -5.2 22.1 82 83 A F E +CD 36 71A 42 -11,-2.7 -12,-3.0 -2,-0.6 -11,-1.0 -0.828 28.7 173.9 -94.1 118.8 13.5 -2.3 23.9 83 84 A L E -CD 35 69A 18 -48,-3.6 -48,-3.1 -2,-0.6 -14,-0.2 -0.832 38.5 -81.8-128.6 156.3 11.0 -0.6 21.5 84 85 A E E -C 34 0A 31 -16,-2.5 2,-0.5 -2,-0.3 -50,-0.1 -0.343 45.3-126.7 -56.0 130.2 8.4 2.1 21.6 85 86 A Y - 0 0 58 -52,-0.5 2,-0.7 -60,-0.1 -1,-0.1 -0.747 18.9-162.7 -84.4 127.7 5.0 0.8 22.8 86 87 A C > - 0 0 11 -2,-0.5 3,-1.4 1,-0.1 51,-0.3 -0.900 6.0-174.5-115.4 96.8 2.2 1.6 20.4 87 88 A S T 3 S+ 0 0 56 -2,-0.7 51,-0.2 1,-0.3 -1,-0.1 0.666 75.9 68.3 -75.5 -17.7 -1.0 1.1 22.3 88 89 A G T 3 S- 0 0 19 49,-1.9 -1,-0.3 1,-0.2 50,-0.2 0.426 95.9-146.6 -79.1 -1.1 -3.4 1.6 19.3 89 90 A G E < -F 137 0B 29 -3,-1.4 48,-2.6 48,-0.5 2,-0.3 -0.241 40.8 -14.8 74.8-158.4 -2.2 -1.6 17.8 90 91 A E E > -F 136 0B 64 46,-0.2 3,-1.2 1,-0.1 46,-0.2 -0.607 48.2-132.9 -84.4 141.7 -1.7 -2.5 14.2 91 92 A L G > S+ 0 0 0 44,-3.1 3,-2.3 41,-0.8 4,-0.4 0.828 105.4 73.4 -55.5 -35.5 -3.2 -0.5 11.3 92 93 A F G > S+ 0 0 93 40,-1.2 3,-1.2 43,-0.3 -1,-0.3 0.861 91.5 54.2 -45.7 -42.8 -4.3 -3.9 10.0 93 94 A D G < S+ 0 0 117 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.491 101.4 59.1 -80.5 -1.8 -7.0 -4.0 12.7 94 95 A R G < S+ 0 0 89 -3,-2.3 2,-0.7 -4,-0.2 -1,-0.2 0.379 85.1 90.4 -97.4 -4.0 -8.4 -0.6 11.6 95 96 A I S < S- 0 0 24 -3,-1.2 6,-0.2 -4,-0.4 105,-0.1 -0.872 72.6-146.6 -95.8 113.2 -9.2 -1.8 8.1 96 97 A E B >> -H 100 0C 117 4,-2.4 4,-2.5 -2,-0.7 3,-2.1 -0.695 30.8-101.1 -79.0 127.4 -12.7 -3.2 8.0 97 98 A P T 34 S- 0 0 105 0, 0.0 107,-0.2 0, 0.0 106,-0.1 -0.215 101.9 -2.2 -52.4 132.6 -13.0 -6.2 5.6 98 99 A D T 34 S+ 0 0 100 105,-2.6 105,-0.2 1,-0.2 106,-0.1 0.326 134.5 59.3 65.2 -0.8 -14.6 -5.1 2.2 99 100 A I T <4 S- 0 0 101 -3,-2.1 2,-0.6 104,-0.2 104,-0.2 0.742 74.9-165.7-116.9 -52.8 -15.1 -1.6 3.5 100 101 A G B < -H 96 0C 2 -4,-2.5 -4,-2.4 102,-0.3 101,-0.2 -0.892 40.6 -69.0 97.2-122.0 -11.7 -0.1 4.5 101 102 A M - 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0 0 81 -2,-0.3 4,-0.6 -22,-0.2 -22,-0.1 -0.561 31.0-138.8 -74.7 139.3 16.0 -0.1 -7.4 185 186 A A H >> S+ 0 0 0 -24,-0.3 4,-1.3 -2,-0.2 3,-0.6 0.881 90.5 58.9 -66.6 -43.3 15.0 -0.2 -3.7 186 187 A E H 3> S+ 0 0 63 1,-0.2 4,-2.2 2,-0.2 3,-0.3 0.904 99.8 52.2 -66.7 -44.3 12.9 3.0 -3.5 187 188 A P H 3> S+ 0 0 27 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.813 104.7 60.5 -61.6 -25.0 10.2 2.2 -6.1 188 189 A V H S- 0 0 22 -2,-1.8 3,-1.6 1,-0.1 7,-0.3 -0.924 74.6-116.2-128.3 155.1 2.1 -11.2 -12.3 212 213 A D T 3 S+ 0 0 87 -2,-0.3 6,-0.2 1,-0.3 -1,-0.1 0.758 114.2 65.6 -60.8 -26.7 0.2 -11.6 -15.7 213 214 A S T 3 S+ 0 0 105 1,-0.1 2,-0.8 4,-0.1 -1,-0.3 0.726 85.3 84.4 -65.8 -24.9 -0.9 -15.1 -14.6 214 215 A C S X> S- 0 0 11 -3,-1.6 4,-2.3 1,-0.2 3,-0.6 -0.757 72.7-156.1 -82.3 108.4 -2.9 -13.3 -11.9 215 216 A Q H 3> S+ 0 0 104 -2,-0.8 4,-2.6 1,-0.2 -1,-0.2 0.841 91.2 55.6 -52.9 -40.6 -6.2 -12.3 -13.6 216 217 A E H 3> S+ 0 0 95 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.868 109.7 46.1 -63.4 -38.5 -6.8 -9.4 -11.2 217 218 A Y H <> S+ 0 0 1 -3,-0.6 4,-2.2 -6,-0.3 -2,-0.2 0.915 111.6 51.8 -69.8 -44.0 -3.4 -7.8 -12.0 218 219 A S H X S+ 0 0 26 -4,-2.3 4,-1.6 -7,-0.3 -2,-0.2 0.914 108.1 52.3 -54.2 -45.9 -4.0 -8.3 -15.7 219 220 A D H <>S+ 0 0 26 -4,-2.6 5,-2.3 1,-0.2 -1,-0.2 0.891 107.8 52.0 -59.2 -43.7 -7.4 -6.5 -15.3 220 221 A W H ><5S+ 0 0 11 -4,-1.7 3,-2.0 1,-0.2 -2,-0.2 0.932 107.8 50.1 -58.9 -48.3 -5.7 -3.6 -13.6 221 222 A K H 3<5S+ 0 0 73 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.826 109.0 53.7 -63.0 -28.5 -3.2 -3.1 -16.4 222 223 A E T 3<5S- 0 0 118 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.308 117.8-117.4 -86.4 6.5 -6.1 -3.2 -18.9 223 224 A K T < 5 + 0 0 154 -3,-2.0 2,-1.9 1,-0.2 -3,-0.2 0.766 55.8 158.6 66.6 33.0 -7.7 -0.4 -16.8 224 225 A K > < + 0 0 59 -5,-2.3 3,-1.3 1,-0.2 -1,-0.2 -0.466 7.2 153.7 -84.7 67.6 -10.9 -2.3 -15.7 225 226 A T T 3 + 0 0 42 -2,-1.9 -1,-0.2 1,-0.3 -5,-0.1 0.335 56.1 80.3 -86.4 6.4 -11.5 0.1 -12.8 226 227 A Y T 3 S+ 0 0 149 -3,-0.1 -1,-0.3 4,-0.1 2,-0.2 0.460 86.4 78.5 -81.3 -7.5 -15.3 -0.7 -12.9 227 228 A L S <> S- 0 0 55 -3,-1.3 4,-1.5 1,-0.1 3,-0.3 -0.635 91.7 -59.1 -93.6 160.0 -14.3 -3.9 -11.0 228 229 A N T 4 S+ 0 0 73 1,-0.3 -1,-0.1 2,-0.2 -2,-0.1 -0.453 113.5 25.1 -71.0 151.5 -13.4 -4.2 -7.2 229 230 A P T >4 S+ 0 0 4 0, 0.0 3,-1.5 0, 0.0 -1,-0.3 -0.993 125.8 50.8 -75.1 -11.7 -11.4 -3.0 -5.4 230 231 A W G >4 S+ 0 0 8 -3,-0.3 3,-1.5 1,-0.3 -2,-0.2 0.743 99.9 61.5 -66.3 -32.3 -11.2 0.0 -7.7 231 232 A K G 3< S+ 0 0 125 -4,-1.5 -1,-0.3 1,-0.3 -3,-0.1 0.737 100.6 57.2 -68.2 -21.4 -14.9 0.8 -8.0 232 233 A K G < S+ 0 0 71 -3,-1.5 2,-0.5 -5,-0.2 -1,-0.3 0.518 93.3 85.5 -80.6 -7.7 -15.0 1.4 -4.2 233 234 A I S < S- 0 0 11 -3,-1.5 -31,-0.1 -4,-0.2 -35,-0.0 -0.842 82.2-120.1-106.9 126.4 -12.3 4.1 -4.5 234 235 A D > - 0 0 95 -2,-0.5 4,-2.2 1,-0.1 5,-0.2 -0.154 31.5-105.2 -62.2 159.5 -13.2 7.7 -5.3 235 236 A S H > S+ 0 0 84 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.827 112.5 54.7 -61.6 -39.8 -11.7 9.3 -8.4 236 237 A A H > S+ 0 0 2 2,-0.2 4,-1.4 1,-0.2 27,-0.4 0.965 114.2 38.2 -62.8 -55.3 -9.0 11.5 -6.8 237 238 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.873 113.9 57.4 -64.3 -32.8 -7.3 8.7 -4.8 238 239 A L H X S+ 0 0 20 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.898 102.3 55.7 -59.8 -40.8 -7.8 6.3 -7.7 239 240 A A H X S+ 0 0 44 -4,-2.2 4,-0.8 2,-0.2 -1,-0.2 0.868 108.5 47.6 -57.2 -41.3 -5.8 8.8 -9.9 240 241 A L H >X S+ 0 0 0 -4,-1.4 4,-1.8 2,-0.2 3,-1.0 0.932 109.8 52.4 -64.8 -46.6 -2.9 8.6 -7.3 241 242 A L H 3X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.3 -2,-0.2 0.854 103.0 58.5 -60.0 -34.1 -3.1 4.8 -7.3 242 243 A H H 3< S+ 0 0 64 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.803 109.7 45.4 -62.9 -28.6 -2.9 4.8 -11.2 243 244 A K H << S+ 0 0 84 -3,-1.0 10,-2.3 -4,-0.8 3,-0.3 0.766 118.1 41.5 -83.6 -30.5 0.5 6.7 -10.7 244 245 A I H < S+ 0 0 0 -4,-1.8 2,-1.9 1,-0.2 -2,-0.2 0.920 107.2 57.9 -80.6 -50.6 1.8 4.4 -8.0 245 246 A L S < S+ 0 0 5 -4,-2.7 2,-0.5 -5,-0.2 -1,-0.2 -0.301 73.7 139.7 -87.0 58.3 0.8 1.0 -9.3 246 247 A V - 0 0 38 -2,-1.9 6,-0.2 -3,-0.3 -3,-0.1 -0.871 51.3-141.5-103.3 127.6 2.7 1.4 -12.5 247 248 A E S S+ 0 0 63 -2,-0.5 -71,-0.2 4,-0.1 -1,-0.1 0.891 86.8 73.2 -61.3 -44.8 4.5 -1.8 -13.7 248 249 A N S >> S- 0 0 88 1,-0.2 4,-1.3 -73,-0.1 3,-0.9 -0.623 71.5-157.6 -72.8 110.9 7.6 -0.1 -15.0 249 250 A P T 34 S+ 0 0 33 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.770 91.6 56.9 -64.4 -23.4 9.5 1.1 -11.8 250 251 A S T 34 S+ 0 0 102 1,-0.2 -2,-0.1 -3,-0.0 -3,-0.0 0.778 111.6 41.6 -75.5 -27.9 11.3 3.8 -13.8 251 252 A A T <4 S+ 0 0 67 -3,-0.9 -1,-0.2 2,-0.1 3,-0.1 0.593 92.9 112.6 -91.4 -15.1 8.0 5.3 -14.9 252 253 A R S < S- 0 0 9 -4,-1.3 -8,-0.2 -6,-0.2 -9,-0.1 -0.261 80.2 -97.4 -59.3 142.0 6.4 4.8 -11.4 253 254 A I - 0 0 20 -10,-2.3 2,-0.2 -13,-0.1 -1,-0.1 -0.275 38.2-136.9 -60.4 142.9 5.7 8.0 -9.4 254 255 A T > - 0 0 69 -3,-0.1 4,-2.2 1,-0.1 3,-0.4 -0.580 23.8-105.6 -96.5 167.1 8.3 9.1 -6.9 255 256 A I H > S+ 0 0 14 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.921 118.9 57.2 -64.4 -41.5 7.6 10.3 -3.4 256 257 A P H 4 S+ 0 0 87 0, 0.0 -1,-0.2 0, 0.0 4,-0.2 0.859 112.2 43.6 -54.2 -35.7 8.5 14.0 -4.2 257 258 A D H >4 S+ 0 0 71 -3,-0.4 3,-1.1 2,-0.2 4,-0.4 0.819 106.7 59.1 -78.9 -32.3 5.7 13.8 -6.9 258 259 A I H >< S+ 0 0 0 -4,-2.2 3,-1.5 1,-0.2 6,-0.2 0.913 101.3 57.8 -57.2 -42.0 3.3 11.9 -4.6 259 260 A K T 3< S+ 0 0 93 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.650 106.7 48.1 -63.3 -16.8 3.6 14.9 -2.3 260 261 A K T < S+ 0 0 149 -3,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.439 84.9 122.9-100.2 -2.5 2.4 17.1 -5.2 261 262 A D <> - 0 0 7 -3,-1.5 4,-1.4 -4,-0.4 5,-0.1 -0.272 67.9-126.4 -64.7 144.3 -0.6 14.9 -6.0 262 263 A R T 4 S+ 0 0 152 1,-0.2 3,-0.4 2,-0.2 4,-0.3 0.912 108.7 43.6 -60.8 -48.0 -4.0 16.5 -6.0 263 264 A W T >4 S+ 0 0 1 -27,-0.4 3,-1.4 1,-0.2 -1,-0.2 0.899 108.6 58.6 -65.7 -42.3 -5.7 14.0 -3.6 264 265 A Y T 34 S+ 0 0 24 1,-0.2 -1,-0.2 -6,-0.2 -2,-0.2 0.841 113.1 41.0 -51.0 -34.9 -2.6 14.0 -1.4 265 266 A N T 3< S+ 0 0 101 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.341 86.1 119.2-101.6 6.8 -3.2 17.8 -0.9 266 267 A K < - 0 0 63 -3,-1.4 2,-0.6 -4,-0.3 -3,-0.0 -0.561 69.2-121.2 -75.8 128.1 -7.0 17.8 -0.6 267 268 A P + 0 0 127 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.650 62.6 130.6 -68.8 115.8 -8.4 19.2 2.7 268 269 A L + 0 0 59 -2,-0.6 2,-0.5 1,-0.2 -163,-0.1 0.578 44.8 69.6-134.2 -35.8 -10.4 16.3 4.0 269 270 A K - 0 0 92 -165,-0.2 -1,-0.2 -166,-0.1 2,-0.1 -0.864 62.5-143.5-115.2 122.3 -9.6 15.5 7.7 270 271 A K - 0 0 182 -2,-0.5 3,-0.1 1,-0.1 -2,-0.0 -0.479 32.7-100.9 -73.7 149.3 -10.4 17.6 10.8 271 272 A G - 0 0 70 1,-0.2 -1,-0.1 -2,-0.1 3,-0.1 -0.213 59.4 -69.9 -59.5 159.2 -7.9 17.9 13.7 272 273 A A - 0 0 88 1,-0.1 -1,-0.2 -132,-0.1 -132,-0.0 -0.256 62.7 -95.5 -56.5 139.3 -8.6 15.7 16.7 273 274 A K - 0 0 108 -3,-0.1 -1,-0.1 1,-0.0 3,-0.0 -0.346 45.0-159.6 -59.7 132.4 -11.7 16.9 18.7 274 275 A R - 0 0 214 -3,-0.1 -1,-0.0 1,-0.0 -3,-0.0 -0.890 29.7 -85.8-116.0 149.7 -10.6 19.2 21.6 275 276 A P + 0 0 141 0, 0.0 2,-0.3 0, 0.0 -1,-0.0 -0.248 57.3 163.4 -56.1 133.0 -12.6 20.1 24.7 276 277 A R - 0 0 155 2,-0.0 2,-0.3 -3,-0.0 -3,-0.0 -0.945 19.3-165.8-144.8 162.4 -15.0 23.0 24.3 277 278 A V - 0 0 138 -2,-0.3 2,-0.3 0, 0.0 0, 0.0 -0.944 13.7-134.8-142.0 164.8 -18.0 24.7 25.9 278 279 A T 0 0 137 -2,-0.3 -2,-0.0 1,-0.0 0, 0.0 -0.879 360.0 360.0-120.7 157.6 -20.6 27.2 25.0 279 280 A S 0 0 172 -2,-0.3 -1,-0.0 0, 0.0 0, 0.0 -0.350 360.0 360.0-118.3 360.0 -22.0 30.2 27.0