==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 09-MAR-06 2CGX . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE CHK1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.FOLOPPE,L.M.FISHER,R.HOWES,A.POTTER,A.G.S.ROBERTSON, . 265 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13243.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 179 67.5 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 . 45 17.0 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 . 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 . 23 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 69 26.0 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 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 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 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 6 A V 0 0 124 0, 0.0 4,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 42.2 11.5 -10.6 33.6 2 7 A E - 0 0 36 2,-2.7 2,-0.6 0, 0.0 3,-0.1 -0.537 360.0 -52.3-156.9 76.6 14.3 -8.1 32.9 3 8 A D S S+ 0 0 127 -2,-0.1 21,-0.5 1,-0.1 2,-0.3 -0.040 139.3 61.8 69.0 -33.1 14.2 -5.0 35.3 4 9 A W E S-A 23 0A 31 -2,-0.6 -2,-2.7 19,-0.2 2,-0.4 -0.844 90.9-115.4-117.7 152.9 10.6 -5.1 33.8 5 10 A D E -A 22 0A 77 17,-2.6 17,-2.2 -2,-0.3 2,-1.2 -0.736 19.5-129.4 -91.3 137.8 7.8 -7.7 34.0 6 11 A L E +A 21 0A 60 -2,-0.4 15,-0.2 15,-0.2 3,-0.1 -0.688 36.8 170.3 -83.8 91.1 6.5 -9.4 30.8 7 12 A V E - 0 0 71 13,-1.6 2,-0.3 -2,-1.2 -1,-0.2 0.858 54.3 -0.2 -76.5 -44.3 2.8 -8.8 31.2 8 13 A Q E -A 20 0A 97 12,-0.9 12,-2.7 0, 0.0 2,-0.3 -0.995 69.9-106.7-152.2 152.0 1.2 -9.9 27.9 9 14 A T E +A 19 0A 70 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.640 31.9 179.0 -84.5 133.3 2.2 -11.4 24.5 10 15 A L - 0 0 64 8,-3.6 9,-0.2 -2,-0.3 -1,-0.1 0.762 66.7 -0.2-108.8 -33.7 2.0 -8.8 21.6 11 16 A G - 0 0 33 7,-1.3 2,-1.7 2,-0.0 5,-0.2 -0.414 57.1-163.2-169.0 76.6 3.1 -10.4 18.3 12 17 A E + 0 0 141 5,-0.2 5,-0.2 -3,-0.1 -3,-0.0 -0.514 31.7 159.8 -69.1 82.7 4.2 -14.1 18.3 13 18 A G - 0 0 48 -2,-1.7 -1,-0.1 3,-0.2 -2,-0.0 0.413 54.2 -82.2 -78.6-140.8 6.0 -14.2 14.9 14 19 A A S S+ 0 0 100 3,-0.0 3,-0.0 1,-0.0 -2,-0.0 0.837 121.5 51.5 -99.5 -49.1 8.6 -16.7 13.7 15 20 A Y S S- 0 0 106 24,-0.1 21,-0.8 20,-0.1 2,-0.2 0.902 128.2 -76.3 -53.1 -47.3 11.8 -15.4 15.2 16 21 A G E - B 0 35A 22 -5,-0.2 2,-0.3 19,-0.2 19,-0.2 -0.596 66.8 -59.9-176.6-114.3 10.2 -15.3 18.7 17 22 A E E - B 0 34A 67 17,-1.6 17,-3.3 -5,-0.2 2,-0.5 -0.978 22.9-127.4-155.0 160.9 7.8 -12.8 20.1 18 23 A V E - B 0 33A 32 -2,-0.3 -8,-3.6 15,-0.3 -7,-1.3 -0.975 32.3-169.9-111.9 128.4 7.1 -9.3 21.1 19 24 A Q E -AB 9 32A 21 13,-3.0 13,-3.1 -2,-0.5 2,-0.8 -0.901 27.0-120.4-115.9 149.4 5.9 -8.8 24.6 20 25 A L E -AB 8 31A 10 -12,-2.7 -13,-1.6 -2,-0.3 -12,-0.9 -0.833 35.9-165.1 -80.7 106.3 4.5 -5.7 26.5 21 26 A A E -AB 6 30A 0 9,-3.3 9,-2.5 -2,-0.8 2,-0.4 -0.790 5.3-163.5 -95.8 136.7 6.9 -5.1 29.4 22 27 A V E -AB 5 29A 14 -17,-2.2 -17,-2.6 -2,-0.4 2,-0.6 -0.953 20.2-128.6-118.8 137.2 6.0 -2.8 32.3 23 28 A N E > -A 4 0A 15 5,-2.1 4,-2.6 -2,-0.4 -19,-0.2 -0.773 15.8-150.4 -84.6 121.3 8.5 -1.4 34.8 24 29 A R T 4 S+ 0 0 124 -2,-0.6 -1,-0.1 -21,-0.5 -20,-0.1 0.729 91.4 44.4 -71.8 -18.4 7.2 -2.2 38.2 25 30 A V T 4 S+ 0 0 128 3,-0.1 -1,-0.2 1,-0.0 -21,-0.0 0.943 128.5 21.9 -79.0 -61.9 8.8 0.8 39.8 26 31 A T T 4 S- 0 0 91 2,-0.1 -2,-0.2 1,-0.0 -1,-0.0 0.606 94.1-130.3 -90.3 -13.9 7.9 3.6 37.3 27 32 A E < + 0 0 123 -4,-2.6 2,-0.3 1,-0.3 -3,-0.1 0.538 52.1 155.9 75.4 11.0 4.9 1.9 35.6 28 33 A E - 0 0 102 -5,-0.2 -5,-2.1 -6,-0.1 2,-0.3 -0.507 32.2-143.3 -73.9 128.5 6.4 2.6 32.2 29 34 A A E +B 22 0A 34 -2,-0.3 50,-0.4 -7,-0.2 2,-0.3 -0.712 25.8 159.8 -94.1 140.0 5.4 0.3 29.3 30 35 A V E -B 21 0A 1 -9,-2.5 -9,-3.3 -2,-0.3 2,-0.5 -0.979 37.9-112.0-147.1 163.0 7.6 -0.9 26.3 31 36 A A E -BC 20 77A 7 46,-3.0 46,-3.1 -2,-0.3 2,-0.5 -0.821 27.0-161.5 -93.8 132.6 7.6 -3.6 23.8 32 37 A V E -BC 19 76A 2 -13,-3.1 -13,-3.0 -2,-0.5 2,-0.5 -0.966 4.8-153.7-115.6 126.0 10.3 -6.2 24.1 33 38 A K E -BC 18 75A 6 42,-3.0 42,-2.0 -2,-0.5 2,-0.6 -0.871 11.6-157.7-100.9 131.4 11.2 -8.3 21.1 34 39 A I E +BC 17 74A 26 -17,-3.3 -17,-1.6 -2,-0.5 2,-0.5 -0.936 13.7 176.9-118.4 116.3 12.6 -11.6 22.1 35 40 A V E -BC 16 73A 9 38,-1.9 38,-2.3 -2,-0.6 2,-0.9 -0.988 20.6-150.4-123.0 123.6 14.7 -13.5 19.7 36 41 A D E - C 0 72A 59 -21,-0.8 3,-0.5 -2,-0.5 36,-0.2 -0.841 9.6-153.0 -90.8 103.1 16.4 -16.8 20.6 37 42 A M S S+ 0 0 30 34,-1.1 -1,-0.1 -2,-0.9 35,-0.1 0.644 92.7 55.7 -53.6 -16.8 19.5 -16.8 18.4 38 43 A K 0 0 70 3,-0.1 -1,-0.2 4,-0.0 34,-0.0 0.931 360.0 360.0 -79.8 -51.5 19.4 -20.7 18.6 39 44 A R 0 0 108 -3,-0.5 -2,-0.2 -24,-0.1 -23,-0.1 0.999 360.0 360.0 -67.2 360.0 15.8 -21.2 17.3 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 82 0, 0.0 4,-0.2 0, 0.0 -3,-0.1 0.000 360.0 360.0 360.0 144.2 19.8 -16.3 13.2 42 49 A P > + 0 0 74 0, 0.0 4,-1.1 0, 0.0 -5,-0.1 0.527 360.0 63.8 -95.6 -11.1 22.6 -14.1 14.5 43 50 A E H > S+ 0 0 160 2,-0.2 4,-0.8 1,-0.1 5,-0.1 0.962 105.3 36.3 -85.3 -57.2 23.3 -12.3 11.2 44 51 A N H > S+ 0 0 43 1,-0.2 4,-3.3 2,-0.2 -1,-0.1 0.827 114.3 59.0 -65.5 -33.0 20.0 -10.5 10.4 45 52 A I H > S+ 0 0 10 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.891 104.0 50.0 -65.8 -37.7 19.5 -9.7 14.1 46 53 A K H X S+ 0 0 98 -4,-1.1 4,-1.1 2,-0.2 -1,-0.2 0.739 113.8 47.9 -67.5 -24.9 22.8 -7.8 14.3 47 54 A K H X S+ 0 0 83 -4,-0.8 4,-3.6 2,-0.2 5,-0.3 0.909 109.5 52.7 -78.0 -46.5 21.7 -6.0 11.1 48 55 A E H X S+ 0 0 9 -4,-3.3 4,-2.8 2,-0.2 -2,-0.2 0.925 113.1 41.8 -52.7 -51.0 18.3 -5.2 12.7 49 56 A I H X S+ 0 0 15 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.923 115.1 52.3 -70.0 -36.0 19.7 -3.7 15.8 50 57 A C H X S+ 0 0 72 -4,-1.1 4,-1.0 -5,-0.3 3,-0.3 0.951 111.8 44.2 -61.3 -51.2 22.3 -1.8 13.8 51 58 A I H >X S+ 0 0 5 -4,-3.6 3,-1.1 1,-0.2 4,-0.7 0.942 111.2 57.2 -55.2 -43.0 19.7 -0.4 11.5 52 59 A N H >< S+ 0 0 4 -4,-2.8 3,-0.8 1,-0.3 11,-0.2 0.820 100.0 56.4 -63.3 -34.0 17.5 0.4 14.5 53 60 A K H 3< S+ 0 0 120 -4,-2.1 -1,-0.3 -3,-0.3 -2,-0.2 0.811 101.6 57.5 -70.4 -24.5 20.3 2.5 16.2 54 61 A M H << S+ 0 0 89 -3,-1.1 2,-0.3 -4,-1.0 -1,-0.2 0.766 92.1 101.3 -67.6 -21.3 20.4 4.8 13.1 55 62 A L << + 0 0 17 -3,-0.8 8,-0.4 -4,-0.7 2,-0.2 -0.495 32.1 148.2 -86.8 124.9 16.7 5.6 13.5 56 63 A N + 0 0 117 -2,-0.3 2,-0.3 6,-0.1 5,-0.1 -0.644 25.9 116.4-149.9 99.0 15.1 8.6 14.9 57 64 A H > - 0 0 28 3,-0.3 3,-1.5 -2,-0.2 53,-0.0 -0.996 64.7-117.3-160.0 150.0 11.8 9.9 13.7 58 65 A E T 3 S+ 0 0 120 -2,-0.3 4,-0.1 1,-0.3 52,-0.1 0.699 115.1 48.1 -66.2 -19.0 8.2 10.5 14.9 59 66 A N T 3 S+ 0 0 12 79,-0.1 80,-3.4 50,-0.1 2,-0.4 0.093 99.3 77.8-109.1 23.9 6.8 8.0 12.4 60 67 A V B < S-e 139 0B 2 -3,-1.5 2,-0.4 78,-0.3 -3,-0.3 -0.987 94.0-101.8-126.3 138.5 9.3 5.1 13.1 61 68 A V - 0 0 6 78,-3.0 -6,-0.1 -2,-0.4 -2,-0.1 -0.461 46.9-114.6 -62.6 119.7 9.0 2.9 16.2 62 69 A K - 0 0 67 -2,-0.4 16,-2.2 -4,-0.1 2,-0.5 -0.161 19.5-143.6 -55.2 141.8 11.6 4.1 18.7 63 70 A F E +D 77 0A 30 -8,-0.4 14,-0.2 -11,-0.2 3,-0.1 -0.963 20.5 175.6-104.8 125.0 14.5 1.9 19.6 64 71 A Y E - 0 0 120 12,-2.7 2,-0.3 -2,-0.5 13,-0.2 0.785 53.4 -66.5 -98.1 -32.0 15.6 2.2 23.3 65 72 A G E -D 76 0A 9 11,-1.1 11,-3.0 2,-0.0 -1,-0.3 -0.964 36.3-109.0 164.8-179.5 18.3 -0.5 23.5 66 73 A H E -D 75 0A 61 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.999 16.0-176.7-144.1 134.4 19.6 -4.2 23.4 67 74 A R E -D 74 0A 134 7,-0.6 7,-2.0 -2,-0.3 -2,-0.0 -0.961 16.5-150.6-125.4 152.4 20.9 -6.8 25.9 68 75 A R + 0 0 133 -2,-0.3 -1,-0.1 5,-0.2 0, 0.0 0.737 17.7 177.5 -99.9 -24.8 22.2 -10.3 25.0 69 76 A E S > S- 0 0 109 2,-0.1 3,-0.8 1,-0.1 2,-0.6 0.679 71.5 -47.4 23.2 57.8 21.4 -12.4 28.2 70 77 A G T 3 S- 0 0 63 1,-0.3 -1,-0.1 -34,-0.0 -34,-0.0 -0.842 119.0 -24.4 105.3-119.0 22.7 -15.7 26.8 71 78 A N T 3 S+ 0 0 88 -2,-0.6 -34,-1.1 2,-0.0 2,-0.7 0.621 118.4 102.7 -87.3 -23.8 21.5 -16.6 23.3 72 79 A I E < -C 36 0A 35 -3,-0.8 2,-0.3 -36,-0.2 -36,-0.2 -0.478 55.6-164.8 -80.5 108.4 18.5 -14.3 24.0 73 80 A Q E -C 35 0A 4 -38,-2.3 -38,-1.9 -2,-0.7 2,-0.5 -0.694 3.5-160.3 -83.1 137.5 18.5 -10.9 22.5 74 81 A Y E -CD 34 67A 35 -7,-2.0 -7,-0.6 -2,-0.3 2,-0.6 -0.848 2.2-165.7-120.5 94.6 16.0 -8.3 23.9 75 82 A L E -CD 33 66A 0 -42,-2.0 -42,-3.0 -2,-0.5 2,-0.5 -0.691 13.6-147.6 -82.0 123.6 15.2 -5.4 21.6 76 83 A F E +CD 32 65A 14 -11,-3.0 -12,-2.7 -2,-0.6 -11,-1.1 -0.827 26.9 175.7 -95.4 130.7 13.5 -2.7 23.6 77 84 A L E -CD 31 63A 20 -46,-3.1 -46,-3.0 -2,-0.5 -14,-0.2 -0.965 37.8 -84.5-144.5 140.9 11.0 -0.8 21.5 78 85 A E - 0 0 19 -16,-2.2 2,-0.4 -2,-0.3 -48,-0.1 -0.203 44.9-130.3 -42.3 127.7 8.4 1.9 21.7 79 86 A Y - 0 0 61 -50,-0.4 2,-0.6 -58,-0.1 -1,-0.1 -0.727 15.2-156.9 -77.6 133.9 5.1 0.4 22.7 80 87 A C > - 0 0 12 -2,-0.4 3,-1.2 1,-0.1 51,-0.2 -0.931 5.5-169.1-118.6 105.9 2.3 1.5 20.4 81 88 A S T 3 S+ 0 0 62 -2,-0.6 51,-0.2 1,-0.3 -1,-0.1 0.723 79.7 69.3 -72.7 -18.7 -0.9 1.1 22.4 82 89 A G T 3 S- 0 0 25 49,-1.8 -1,-0.3 1,-0.2 50,-0.2 0.673 93.0-148.7 -69.2 -21.0 -3.0 1.6 19.3 83 90 A G E < -F 131 0B 29 -3,-1.2 48,-2.6 48,-0.7 2,-0.3 -0.419 42.2 -17.3 79.8-157.3 -2.0 -1.7 17.8 84 91 A E E > -F 130 0B 66 46,-0.2 3,-2.0 1,-0.1 46,-0.2 -0.599 47.4-132.5 -89.2 138.1 -1.7 -2.5 14.0 85 92 A L G > S+ 0 0 0 44,-3.2 3,-1.7 41,-0.7 4,-0.3 0.780 105.4 77.6 -49.1 -29.2 -3.2 -0.3 11.2 86 93 A F G > S+ 0 0 97 40,-1.1 3,-0.9 43,-0.4 -1,-0.3 0.832 89.3 52.5 -54.0 -33.6 -4.2 -3.8 10.0 87 94 A D G < S+ 0 0 113 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.470 100.2 59.8 -89.0 -1.9 -7.1 -3.8 12.7 88 95 A R G < S+ 0 0 82 -3,-1.7 2,-0.8 -4,-0.2 -1,-0.2 0.238 85.4 92.3 -99.5 3.9 -8.6 -0.4 11.7 89 96 A I S < S- 0 0 23 -3,-0.9 6,-0.2 -4,-0.3 105,-0.1 -0.886 71.6-146.4-101.5 110.7 -9.2 -1.7 8.1 90 97 A E B >> -H 94 0C 121 4,-2.7 4,-2.9 -2,-0.8 3,-2.7 -0.624 30.6-107.1 -72.5 123.4 -12.7 -3.2 7.9 91 98 A P T 34 S+ 0 0 106 0, 0.0 107,-0.2 0, 0.0 106,-0.1 -0.196 101.2 4.7 -57.4 135.1 -12.7 -6.1 5.5 92 99 A D T 34 S+ 0 0 108 105,-2.9 105,-0.2 1,-0.1 106,-0.2 0.367 134.5 57.0 72.2 -5.1 -14.4 -5.2 2.2 93 100 A I T <4 S- 0 0 105 -3,-2.7 2,-0.5 104,-0.3 104,-0.3 0.747 76.3-162.8-123.1 -43.6 -14.8 -1.7 3.4 94 101 A G B < -H 90 0C 2 -4,-2.9 -4,-2.7 102,-0.2 101,-0.2 -0.833 40.3 -70.2 100.4-125.8 -11.5 -0.0 4.4 95 102 A M - 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0 0 13 -2,-2.0 3,-2.9 1,-0.1 7,-0.3 -0.873 65.2-130.9-113.9 135.8 2.4 -11.3 -12.1 206 213 A D T 3 S+ 0 0 100 -2,-0.4 -1,-0.1 1,-0.3 6,-0.1 0.792 115.1 62.1 -42.9 -30.2 1.4 -11.4 -15.7 207 214 A S T 3 S+ 0 0 111 4,-0.0 2,-0.5 5,-0.0 -1,-0.3 0.325 87.9 85.5 -79.4 4.5 0.1 -14.8 -14.6 208 215 A C <> - 0 0 12 -3,-2.9 4,-2.3 1,-0.1 5,-0.1 -0.957 68.1-152.7-118.8 122.2 -2.4 -13.2 -12.2 209 216 A Q H > S+ 0 0 122 -2,-0.5 4,-3.1 1,-0.2 5,-0.2 0.895 92.9 51.9 -65.7 -45.7 -5.7 -12.2 -13.6 210 217 A E H > S+ 0 0 96 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.861 111.8 49.2 -62.0 -33.7 -6.5 -9.3 -11.2 211 218 A Y H > S+ 0 0 1 -6,-0.2 4,-2.0 -8,-0.2 -1,-0.2 0.920 109.9 50.5 -72.3 -45.0 -3.1 -7.8 -12.0 212 219 A S H X S+ 0 0 24 -4,-2.3 4,-1.5 -7,-0.3 -2,-0.2 0.910 108.0 55.2 -53.8 -43.8 -3.7 -8.2 -15.7 213 220 A D H <>S+ 0 0 24 -4,-3.1 5,-2.5 1,-0.2 -1,-0.2 0.887 105.6 50.8 -57.6 -41.8 -7.1 -6.5 -15.3 214 221 A W H ><5S+ 0 0 10 -4,-1.6 3,-2.0 1,-0.2 -1,-0.2 0.917 107.3 51.8 -63.9 -45.7 -5.5 -3.5 -13.6 215 222 A K H 3<5S+ 0 0 73 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.839 108.2 53.4 -61.2 -30.1 -2.9 -3.0 -16.4 216 223 A E T 3<5S- 0 0 124 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.284 116.8-122.2 -82.1 5.5 -5.9 -3.1 -18.8 217 224 A K T < 5 + 0 0 143 -3,-2.0 2,-2.2 1,-0.2 -3,-0.2 0.749 52.5 161.9 58.5 33.1 -7.4 -0.3 -16.7 218 225 A K > < + 0 0 60 -5,-2.5 3,-1.3 1,-0.2 -1,-0.2 -0.467 5.4 157.7 -76.4 70.5 -10.5 -2.3 -15.9 219 226 A T T 3 + 0 0 45 -2,-2.2 -1,-0.2 1,-0.3 -5,-0.1 0.261 54.9 82.7 -90.9 16.7 -11.3 -0.1 -12.9 220 227 A Y T 3 S+ 0 0 150 4,-0.1 -1,-0.3 5,-0.0 2,-0.1 0.570 80.5 89.9 -86.6 -18.8 -14.9 -1.0 -13.1 221 228 A L S <> S- 0 0 60 -3,-1.3 4,-1.5 -8,-0.1 5,-0.1 -0.335 92.3 -76.4 -80.5-176.9 -13.9 -4.1 -11.1 222 229 A N T 4 S+ 0 0 69 1,-0.3 4,-0.1 2,-0.2 -3,-0.1 0.072 113.3 39.3 -96.0 -4.8 -13.8 -4.5 -7.4 223 230 A P T >4 S+ 0 0 13 0, 0.0 3,-1.5 0, 0.0 -1,-0.3 0.824 124.5 42.1 -72.7 -53.8 -11.0 -3.2 -5.5 224 231 A W G >> S+ 0 0 8 1,-0.3 3,-1.3 2,-0.2 4,-0.7 0.674 101.4 65.3 -71.0 -25.3 -11.0 -0.0 -7.6 225 232 A K G 3< S+ 0 0 133 -4,-1.5 -1,-0.3 1,-0.3 -3,-0.1 0.765 100.0 54.4 -71.0 -25.3 -14.7 0.6 -7.9 226 233 A K G <4 S+ 0 0 66 -3,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.526 98.3 75.4 -76.5 -7.2 -14.9 1.3 -4.2 227 234 A I T <4 S- 0 0 8 -3,-1.3 -2,-0.1 -4,-0.2 3,-0.1 0.997 84.1-121.6 -91.3 -66.2 -12.2 3.9 -4.3 228 235 A D X - 0 0 76 -4,-0.7 4,-2.4 1,-0.1 5,-0.2 -0.184 26.5 -96.3 120.3 133.2 -13.1 7.3 -5.7 229 236 A S H > S+ 0 0 83 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.645 113.7 50.4 -64.5 -30.8 -11.7 9.2 -8.5 230 237 A A H > S+ 0 0 5 2,-0.2 4,-1.0 1,-0.1 27,-0.4 0.951 116.8 37.5 -79.0 -50.1 -9.2 11.4 -6.7 231 238 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 3,-0.3 0.914 115.5 58.4 -61.1 -33.2 -7.3 8.7 -4.6 232 239 A L H X S+ 0 0 22 -4,-2.4 4,-2.6 1,-0.3 -2,-0.2 0.868 100.3 54.8 -62.0 -43.3 -7.6 6.3 -7.6 233 240 A A H X S+ 0 0 30 -4,-1.7 4,-0.6 2,-0.2 -1,-0.3 0.808 108.4 49.7 -56.3 -36.3 -5.8 8.8 -9.9 234 241 A L H >X S+ 0 0 0 -4,-1.0 4,-2.0 -3,-0.3 3,-1.5 0.955 108.4 52.0 -71.2 -43.4 -2.9 8.7 -7.3 235 242 A L H 3X S+ 0 0 0 -4,-2.5 4,-3.4 1,-0.3 -2,-0.2 0.899 102.6 60.1 -58.8 -36.3 -3.0 4.9 -7.3 236 243 A H H 3< S+ 0 0 58 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.767 109.6 43.9 -60.5 -24.2 -2.8 5.0 -11.1 237 244 A K H << S+ 0 0 80 -3,-1.5 10,-1.9 -4,-0.6 3,-0.4 0.803 117.2 43.4 -93.0 -21.5 0.5 6.8 -10.7 238 245 A I H < S+ 0 0 0 -4,-2.0 2,-1.8 1,-0.2 -2,-0.2 0.903 108.4 56.5 -82.8 -43.2 1.9 4.6 -7.8 239 246 A L S < S+ 0 0 4 -4,-3.4 2,-0.4 -5,-0.2 -1,-0.2 -0.268 73.4 139.1 -95.2 58.5 0.9 1.2 -9.2 240 247 A V - 0 0 41 -2,-1.8 6,-0.1 -3,-0.4 -55,-0.0 -0.857 50.3-140.2-101.8 128.9 2.8 1.7 -12.6 241 248 A E S S+ 0 0 67 -2,-0.4 -71,-0.2 1,-0.1 -1,-0.1 0.857 86.8 71.7 -65.7 -37.1 4.6 -1.5 -13.7 242 249 A N S >> S- 0 0 75 1,-0.2 3,-1.5 -73,-0.1 4,-1.2 -0.687 74.8-151.7 -81.9 115.3 7.8 0.2 -15.0 243 250 A P T 34 S+ 0 0 11 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.683 94.1 57.9 -60.7 -22.7 9.7 1.3 -11.9 244 251 A S T 34 S+ 0 0 100 1,-0.2 -2,-0.0 -3,-0.0 -3,-0.0 0.706 109.3 41.3 -78.9 -25.5 11.2 4.2 -13.9 245 252 A A T <4 S+ 0 0 67 -3,-1.5 -1,-0.2 2,-0.1 3,-0.1 0.541 92.3 111.5 -91.3 -12.8 7.8 5.7 -14.9 246 253 A R S < S- 0 0 9 -4,-1.2 -8,-0.2 -6,-0.1 -9,-0.1 -0.386 78.9-104.9 -63.2 141.2 6.4 5.1 -11.4 247 254 A I - 0 0 19 -10,-1.9 2,-0.2 1,-0.1 -1,-0.1 -0.250 34.3-136.2 -64.7 152.1 5.8 8.3 -9.5 248 255 A T > - 0 0 72 -3,-0.1 4,-2.0 1,-0.1 5,-0.1 -0.533 24.4-100.9-105.5 174.0 8.3 9.3 -6.8 249 256 A I H > S+ 0 0 12 2,-0.2 4,-2.5 1,-0.2 3,-0.4 0.953 119.0 54.7 -63.7 -50.6 7.6 10.6 -3.3 250 257 A P H 4 S+ 0 0 84 0, 0.0 -1,-0.2 0, 0.0 4,-0.2 0.863 114.1 45.7 -50.1 -37.1 8.4 14.3 -4.0 251 258 A D H >4 S+ 0 0 73 2,-0.2 3,-0.8 1,-0.2 -2,-0.2 0.759 106.1 58.0 -77.5 -27.9 5.7 14.0 -6.8 252 259 A I H >< S+ 0 0 0 -4,-2.0 3,-1.9 -3,-0.4 6,-0.2 0.923 100.0 59.6 -59.7 -45.6 3.3 12.1 -4.5 253 260 A K T 3< S+ 0 0 87 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.592 105.7 48.7 -57.6 -12.9 3.4 15.1 -2.2 254 261 A K T < S+ 0 0 151 -3,-0.8 -1,-0.3 -5,-0.2 -2,-0.2 0.352 83.6 120.7-107.8 -0.9 2.1 17.3 -5.1 255 262 A D <> - 0 0 3 -3,-1.9 4,-1.3 -4,-0.2 5,-0.1 -0.371 69.3-123.5 -65.5 149.8 -0.8 15.0 -6.0 256 263 A R T 4 S+ 0 0 151 1,-0.2 4,-0.5 2,-0.2 3,-0.4 0.910 109.1 42.9 -67.4 -46.3 -4.3 16.5 -5.8 257 264 A W T >4 S+ 0 0 0 -27,-0.4 3,-0.8 1,-0.2 -1,-0.2 0.862 109.0 60.1 -66.5 -35.4 -5.8 14.0 -3.4 258 265 A Y T 34 S+ 0 0 25 1,-0.2 -1,-0.2 -6,-0.2 -2,-0.2 0.851 114.9 35.3 -57.9 -30.6 -2.7 14.0 -1.3 259 266 A N T 3< S+ 0 0 99 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.322 90.4 118.4-107.5 2.7 -3.2 17.8 -0.7 260 267 A K < - 0 0 90 -3,-0.8 2,-0.2 -4,-0.5 -3,-0.0 -0.572 68.7-121.0 -74.5 125.4 -7.1 17.7 -0.7 261 268 A P + 0 0 123 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.516 53.9 140.0 -71.8 132.6 -8.5 18.8 2.7 262 269 A L + 0 0 51 -2,-0.2 2,-0.4 1,-0.2 -163,-0.1 0.587 45.1 67.6-134.3 -37.3 -10.6 16.2 4.3 263 270 A K - 0 0 106 -165,-0.1 -1,-0.2 -166,-0.1 -166,-0.0 -0.870 57.0-138.2-129.3 132.9 -10.1 16.0 8.1 264 271 A K - 0 0 195 -2,-0.4 -1,-0.0 1,-0.1 2,-0.0 -0.176 33.4-101.3 -71.5 159.4 -10.6 18.0 11.3 265 272 A G 0 0 77 1,-0.1 -1,-0.1 -2,-0.0 0, 0.0 -0.118 360.0 360.0 -77.2-176.7 -8.2 18.4 14.3 266 273 A A 0 0 149 -2,-0.0 -1,-0.1 0, 0.0 -2,-0.0 0.519 360.0 360.0 -66.0 360.0 -8.1 16.6 17.7