==== 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 2CGU . 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, . 263 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13136.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 183 69.6 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 . 44 16.7 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 . 22 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 14.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 68 25.9 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 1 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 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 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 0 117 0, 0.0 4,-0.2 0, 0.0 20,-0.0 0.000 360.0 360.0 360.0 70.4 11.4 -10.4 33.7 2 7 A E - 0 0 46 2,-1.2 2,-2.1 0, 0.0 3,-0.0 -0.077 360.0 -50.4 168.0 78.7 14.5 -8.1 33.3 3 8 A D S S+ 0 0 130 20,-0.0 21,-0.5 21,-0.0 2,-0.3 0.034 140.3 59.1 60.6 -35.6 14.3 -4.9 35.5 4 9 A W S S- 0 0 35 -2,-2.1 -2,-1.2 19,-0.2 2,-0.3 -0.899 91.0-121.9-115.5 149.4 10.8 -4.6 33.8 5 10 A D E -A 22 0A 81 17,-2.5 17,-1.5 -2,-0.3 2,-0.9 -0.689 16.6-126.0 -89.0 144.3 8.1 -7.3 34.0 6 11 A L E +A 21 0A 62 -2,-0.3 15,-0.2 15,-0.2 3,-0.1 -0.777 34.1 173.6 -90.2 96.6 6.6 -9.1 30.8 7 12 A V E - 0 0 71 13,-1.9 2,-0.3 -2,-0.9 -1,-0.2 0.836 56.3 -3.8 -78.6 -43.3 2.8 -8.5 31.2 8 13 A Q E -A 20 0A 103 12,-0.8 12,-2.7 0, 0.0 -1,-0.2 -0.992 69.2-105.2-152.7 149.8 1.2 -9.8 27.9 9 14 A T E +A 19 0A 70 -2,-0.3 10,-0.2 10,-0.2 8,-0.0 -0.406 37.3 175.3 -71.4 151.9 2.3 -11.3 24.6 10 15 A L + 0 0 71 8,-1.9 9,-0.2 -2,-0.1 -1,-0.1 0.692 63.5 8.1-135.2 -39.9 1.9 -8.7 21.7 11 16 A G - 0 0 32 7,-1.2 2,-2.0 2,-0.0 5,-0.1 -0.546 60.9-165.5-156.6 77.5 3.1 -9.9 18.3 12 17 A E + 0 0 134 5,-0.2 5,-0.2 -2,-0.1 3,-0.1 -0.466 29.1 161.2 -69.5 75.7 4.0 -13.6 18.2 13 18 A G - 0 0 56 -2,-2.0 2,-0.5 1,-0.1 3,-0.3 0.026 49.7 -72.4 -78.3-170.9 6.0 -13.7 14.9 14 19 A A S S+ 0 0 96 1,-0.2 -1,-0.1 3,-0.0 3,-0.0 -0.812 119.9 28.4 -84.9 130.9 8.5 -16.3 13.5 15 20 A Y S S- 0 0 120 -2,-0.5 21,-1.2 -3,-0.1 2,-0.3 0.015 131.1 -36.8 104.6 -23.3 11.8 -16.0 15.4 16 21 A G E - B 0 35A 25 -3,-0.3 2,-0.3 19,-0.2 19,-0.2 -0.965 67.9 -85.3 171.4-152.5 10.4 -14.7 18.6 17 22 A E E - B 0 34A 70 17,-0.9 17,-3.1 -2,-0.3 2,-0.5 -0.883 20.1-126.4-137.9 168.1 7.7 -12.5 20.1 18 23 A V E - B 0 33A 34 -2,-0.3 -8,-1.9 15,-0.3 -7,-1.2 -0.994 33.2-165.8-117.1 127.5 7.1 -8.9 21.1 19 24 A Q E -AB 9 32A 21 13,-3.7 13,-2.4 -2,-0.5 2,-0.6 -0.780 25.2-118.1-111.5 157.2 5.9 -8.4 24.7 20 25 A L E -AB 8 31A 11 -12,-2.7 -13,-1.9 -2,-0.3 -12,-0.8 -0.850 36.4-167.9 -87.2 123.3 4.4 -5.6 26.6 21 26 A A E -AB 6 30A 0 9,-3.5 9,-1.7 -2,-0.6 2,-0.4 -0.950 8.0-170.4-121.4 116.1 6.9 -4.7 29.4 22 27 A V E -AB 5 29A 13 -17,-1.5 -17,-2.5 -2,-0.5 2,-0.5 -0.839 22.4-133.0 -98.1 136.7 6.0 -2.4 32.3 23 28 A N > - 0 0 12 5,-2.2 4,-1.8 -2,-0.4 -19,-0.2 -0.824 15.2-149.9 -80.7 129.5 8.6 -1.1 34.7 24 29 A R T 4 S+ 0 0 123 -21,-0.5 -1,-0.1 -2,-0.5 -20,-0.1 0.730 92.0 48.1 -77.4 -25.6 7.2 -1.8 38.3 25 30 A V T 4 S+ 0 0 125 1,-0.1 -1,-0.1 3,-0.1 -21,-0.1 0.974 129.0 19.0 -68.1 -67.3 8.9 1.2 39.8 26 31 A T T 4 S- 0 0 93 2,-0.1 -2,-0.2 1,-0.0 -1,-0.1 0.655 93.0-134.4 -89.5 -20.3 8.1 3.9 37.2 27 32 A E < + 0 0 117 -4,-1.8 -3,-0.1 1,-0.3 -1,-0.0 0.439 50.6 152.9 81.7 2.0 5.1 2.2 35.6 28 33 A E - 0 0 95 -6,-0.1 -5,-2.2 1,-0.1 2,-0.3 -0.294 35.3-136.3 -66.2 141.7 6.4 3.0 32.1 29 34 A A E +B 22 0A 37 -7,-0.2 50,-0.4 50,-0.1 2,-0.3 -0.770 26.9 163.5-103.6 148.3 5.5 0.7 29.2 30 35 A V E -B 21 0A 1 -9,-1.7 -9,-3.5 -2,-0.3 2,-0.6 -0.960 36.8-114.5-147.0 165.9 7.6 -0.7 26.3 31 36 A A E -BC 20 77A 7 46,-2.9 46,-2.7 -2,-0.3 2,-0.7 -0.926 26.3-159.7-101.0 120.8 7.6 -3.4 23.7 32 37 A V E -BC 19 76A 3 -13,-2.4 -13,-3.7 -2,-0.6 2,-0.4 -0.937 3.2-158.1-100.3 116.7 10.3 -6.0 24.2 33 38 A K E -BC 18 75A 33 42,-2.4 42,-2.2 -2,-0.7 2,-0.5 -0.839 11.6-154.2 -90.6 139.6 11.0 -7.9 21.0 34 39 A I E +BC 17 74A 24 -17,-3.1 -17,-0.9 -2,-0.4 2,-0.6 -0.919 15.1 179.5-127.0 103.5 12.6 -11.2 21.9 35 40 A V E -BC 16 73A 7 38,-2.1 38,-2.6 -2,-0.5 2,-0.8 -0.921 16.8-155.0-113.4 120.5 14.8 -13.0 19.5 36 41 A D E > - C 0 72A 51 -21,-1.2 3,-0.5 -2,-0.6 36,-0.2 -0.816 11.0-152.0 -92.2 101.1 16.5 -16.4 20.4 37 42 A M T 3 S+ 0 0 32 34,-1.4 -1,-0.1 -2,-0.8 35,-0.1 0.573 93.2 53.5 -59.8 -13.1 19.6 -16.5 18.1 38 43 A K T 3 0 0 70 3,-0.1 -1,-0.3 4,-0.1 34,-0.0 0.896 360.0 360.0 -81.3 -50.7 19.4 -20.3 18.1 39 44 A R < 0 0 80 -3,-0.5 -2,-0.2 -24,-0.1 -23,-0.1 0.972 360.0 360.0 -80.3 360.0 15.8 -20.7 17.0 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 42 0, 0.0 -3,-0.1 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 138.4 19.8 -16.0 13.0 42 49 A P + 0 0 76 0, 0.0 4,-0.2 0, 0.0 -5,-0.1 0.342 360.0 57.0 -99.1 2.8 22.6 -13.9 14.5 43 50 A E S > S+ 0 0 159 2,-0.2 4,-1.2 3,-0.1 5,-0.1 0.862 105.0 42.1-105.0 -52.7 23.3 -11.9 11.2 44 51 A N H > S+ 0 0 46 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.719 116.1 55.0 -68.6 -21.0 19.9 -10.4 10.2 45 52 A I H > S+ 0 0 8 2,-0.2 4,-1.4 1,-0.2 5,-0.2 0.791 100.4 55.1 -85.0 -26.2 19.6 -9.5 13.9 46 53 A K H > S+ 0 0 98 -4,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.873 111.7 48.2 -71.0 -28.7 22.9 -7.6 14.1 47 54 A K H X S+ 0 0 86 -4,-1.2 4,-4.2 2,-0.2 5,-0.2 0.915 104.4 57.5 -72.9 -50.4 21.6 -5.5 11.2 48 55 A E H X S+ 0 0 14 -4,-1.7 4,-3.2 2,-0.2 -1,-0.2 0.905 113.4 39.3 -45.2 -50.2 18.1 -4.8 12.7 49 56 A I H X S+ 0 0 18 -4,-1.4 4,-3.0 2,-0.2 -1,-0.2 0.910 114.7 52.6 -78.4 -38.3 19.6 -3.2 15.8 50 57 A C H X S+ 0 0 78 -4,-1.6 4,-0.9 -5,-0.2 -2,-0.2 0.935 113.8 43.8 -61.7 -43.2 22.3 -1.5 13.9 51 58 A I H >X S+ 0 0 5 -4,-4.2 3,-2.3 1,-0.2 4,-0.8 0.992 111.3 56.1 -58.5 -53.9 19.7 -0.0 11.6 52 59 A N H >< S+ 0 0 6 -4,-3.2 3,-0.9 1,-0.3 11,-0.2 0.818 100.6 57.6 -49.5 -41.9 17.5 0.8 14.6 53 60 A K H 3< S+ 0 0 120 -4,-3.0 -1,-0.3 1,-0.2 -2,-0.2 0.818 103.3 54.2 -62.1 -28.0 20.3 2.8 16.3 54 61 A M H << S+ 0 0 90 -3,-2.3 2,-0.3 -4,-0.9 -1,-0.2 0.773 92.9 97.7 -69.2 -24.8 20.4 5.1 13.2 55 62 A L << + 0 0 13 -3,-0.9 8,-0.4 -4,-0.8 2,-0.2 -0.499 33.5 147.6 -83.8 126.1 16.7 5.8 13.4 56 63 A N + 0 0 117 -2,-0.3 2,-0.3 6,-0.1 5,-0.1 -0.695 25.4 115.6-154.2 99.7 15.1 8.9 15.0 57 64 A H > - 0 0 29 3,-0.4 3,-1.5 -2,-0.2 53,-0.0 -0.983 66.1-112.0-158.3 152.7 11.8 10.4 13.7 58 65 A E T 3 S+ 0 0 127 -2,-0.3 4,-0.1 1,-0.2 52,-0.1 0.622 116.3 47.5 -68.4 -12.5 8.2 10.9 14.9 59 66 A N T 3 S+ 0 0 11 79,-0.1 80,-3.9 2,-0.1 2,-0.4 0.253 99.2 77.0-111.2 12.2 6.8 8.4 12.4 60 67 A V B < S-e 139 0B 2 -3,-1.5 -3,-0.4 78,-0.3 80,-0.2 -0.988 94.1-100.4-121.5 131.4 9.3 5.5 13.1 61 68 A V - 0 0 10 78,-2.1 -2,-0.1 -2,-0.4 -6,-0.1 -0.274 46.4-109.2 -49.6 128.1 9.0 3.3 16.2 62 69 A K - 0 0 70 -4,-0.1 16,-2.6 17,-0.1 2,-0.6 -0.317 23.1-146.5 -65.7 135.3 11.5 4.5 18.9 63 70 A F E +D 77 0A 28 -8,-0.4 14,-0.2 -11,-0.2 3,-0.1 -0.955 20.9 173.2-102.2 118.7 14.6 2.3 19.6 64 71 A Y E - 0 0 116 12,-4.0 2,-0.3 -2,-0.6 13,-0.2 0.805 51.4 -71.2 -93.5 -36.2 15.7 2.5 23.3 65 72 A G E -D 76 0A 8 11,-1.0 11,-2.7 2,-0.0 2,-0.3 -0.966 34.9-100.9 165.8-176.2 18.4 -0.2 23.4 66 73 A H E -D 75 0A 65 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.993 16.8-177.9-138.7 138.0 19.7 -3.8 23.4 67 74 A R E -D 74 0A 152 7,-0.9 7,-2.0 -2,-0.3 -2,-0.0 -0.976 17.3-149.8-126.8 149.3 20.9 -6.4 25.9 68 75 A R + 0 0 140 -2,-0.3 -1,-0.1 5,-0.2 0, 0.0 0.823 18.5 176.8 -92.3 -32.5 22.2 -10.0 25.1 69 76 A E > - 0 0 106 2,-0.1 3,-0.9 5,-0.1 2,-0.4 0.715 68.0 -55.3 30.1 53.3 21.3 -12.2 28.1 70 77 A G T 3 S- 0 0 60 1,-0.3 0, 0.0 -34,-0.0 0, 0.0 -0.785 118.9 -16.1 97.3-134.4 22.6 -15.5 26.8 71 78 A N T 3 S+ 0 0 90 -2,-0.4 -34,-1.4 1,-0.1 2,-0.7 0.774 118.8 103.1 -62.0 -28.0 21.2 -16.6 23.4 72 79 A I E < -C 36 0A 39 -3,-0.9 2,-0.4 -36,-0.2 -36,-0.2 -0.444 53.7-166.8 -80.0 103.6 18.5 -14.0 24.0 73 80 A Q E -C 35 0A 4 -38,-2.6 -38,-2.1 -2,-0.7 2,-0.5 -0.665 8.4-163.4 -78.4 129.9 18.5 -10.6 22.2 74 81 A Y E -CD 34 67A 33 -7,-2.0 -7,-0.9 -2,-0.4 2,-0.6 -0.953 2.6-163.9-117.8 114.2 16.1 -8.0 23.7 75 82 A L E -CD 33 66A 1 -42,-2.2 -42,-2.4 -2,-0.5 2,-0.7 -0.866 12.4-146.0-101.1 125.4 15.2 -5.0 21.6 76 83 A F E +CD 32 65A 19 -11,-2.7 -12,-4.0 -2,-0.6 -11,-1.0 -0.816 30.4 174.7-100.0 110.9 13.6 -2.2 23.6 77 84 A L E -CD 31 63A 21 -46,-2.7 -46,-2.9 -2,-0.7 -14,-0.2 -0.884 39.0 -89.0-130.8 140.0 11.1 -0.5 21.4 78 85 A E - 0 0 25 -16,-2.6 2,-0.5 -2,-0.3 -48,-0.1 -0.108 42.8-132.9 -43.1 135.0 8.4 2.1 21.6 79 86 A Y - 0 0 65 -50,-0.4 2,-0.8 -58,-0.1 -1,-0.1 -0.862 13.4-151.8 -90.9 133.2 5.2 0.5 22.6 80 87 A C > - 0 0 12 -2,-0.5 3,-1.2 1,-0.1 51,-0.3 -0.887 6.3-165.6-110.8 104.7 2.4 1.8 20.4 81 88 A S T 3 S+ 0 0 60 -2,-0.8 51,-0.2 1,-0.3 -1,-0.1 0.614 84.6 66.1 -70.2 -7.0 -0.9 1.6 22.4 82 89 A G T 3 S- 0 0 24 49,-2.3 -1,-0.3 1,-0.2 2,-0.2 0.830 91.3-156.7 -74.4 -33.8 -2.9 2.0 19.2 83 90 A G E < -F 131 0B 28 -3,-1.2 48,-3.1 48,-1.0 2,-0.3 -0.572 42.1 -10.9 84.7-152.5 -1.7 -1.3 17.7 84 91 A E E > -F 130 0B 65 46,-0.2 3,-1.6 -2,-0.2 46,-0.2 -0.646 45.5-139.9 -91.9 137.6 -1.7 -2.1 14.0 85 92 A L G > S+ 0 0 0 44,-2.9 3,-2.0 41,-0.6 4,-0.2 0.727 101.5 77.6 -53.3 -28.9 -3.2 -0.0 11.3 86 93 A F G > S+ 0 0 95 40,-1.2 3,-1.2 43,-0.3 -1,-0.3 0.883 90.1 54.3 -51.3 -37.5 -4.2 -3.4 10.0 87 94 A D G < S+ 0 0 113 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.549 97.6 60.7 -80.5 -5.6 -6.9 -3.4 12.6 88 95 A R G < S+ 0 0 80 -3,-2.0 2,-0.7 -4,-0.1 -1,-0.3 0.244 83.3 95.0-101.4 12.7 -8.5 -0.1 11.6 89 96 A I S < S- 0 0 21 -3,-1.2 6,-0.2 -4,-0.2 105,-0.1 -0.906 71.0-145.0-103.9 109.4 -9.3 -1.4 8.1 90 97 A E B >> -H 94 0C 118 4,-2.5 3,-3.3 -2,-0.7 4,-2.1 -0.659 32.2-107.0 -72.5 114.2 -12.8 -2.8 8.0 91 98 A P T 34 S+ 0 0 108 0, 0.0 107,-0.2 0, 0.0 106,-0.1 -0.095 101.4 3.7 -44.2 132.3 -12.7 -5.8 5.6 92 99 A D T 34 S+ 0 0 105 105,-2.2 105,-0.2 1,-0.2 106,-0.2 0.311 135.7 52.3 72.0 -9.9 -14.4 -4.8 2.3 93 100 A I T <4 S- 0 0 114 -3,-3.3 2,-0.6 104,-0.2 104,-0.2 0.736 77.2-163.8-124.6 -49.1 -15.0 -1.2 3.4 94 101 A G B < -H 90 0C 2 -4,-2.1 -4,-2.5 102,-0.2 101,-0.2 -0.853 37.3 -60.6 112.7-113.5 -11.8 0.4 4.7 95 102 A M - 0 0 19 99,-0.7 -6,-0.1 -2,-0.6 102,-0.0 -0.946 65.1 -65.3-167.1 157.8 -11.9 3.6 6.7 96 103 A P >> - 0 0 80 0, 0.0 4,-1.7 0, 0.0 3,-0.6 -0.320 49.3-119.3 -47.3 131.5 -13.2 7.1 6.2 97 104 A E H 3> S+ 0 0 51 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.895 110.6 58.7 -41.5 -51.0 -11.2 8.9 3.5 98 105 A P H 3> S+ 0 0 36 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.867 106.0 46.4 -55.8 -42.2 -9.9 11.6 6.0 99 106 A D H <> S+ 0 0 49 -3,-0.6 4,-2.9 2,-0.2 5,-0.2 0.917 111.7 52.8 -61.1 -42.7 -8.3 9.1 8.3 100 107 A A H X S+ 0 0 0 -4,-1.7 4,-3.1 1,-0.2 5,-0.2 0.946 108.1 50.4 -59.5 -46.0 -6.6 7.3 5.3 101 108 A Q H X S+ 0 0 13 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.865 111.3 49.2 -59.8 -35.5 -5.2 10.6 4.1 102 109 A R H X S+ 0 0 56 -4,-1.6 4,-2.5 -5,-0.3 -2,-0.2 0.942 111.8 46.5 -68.9 -45.9 -3.8 11.3 7.5 103 110 A F H X S+ 0 0 3 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.912 113.0 51.8 -64.4 -38.8 -2.2 7.9 7.9 104 111 A F H X S+ 0 0 0 -4,-3.1 4,-3.3 -5,-0.2 -1,-0.2 0.891 107.1 52.0 -62.3 -44.2 -0.8 8.3 4.3 105 112 A H H X S+ 0 0 58 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.948 114.6 44.5 -53.7 -49.1 0.7 11.8 5.2 106 113 A Q H X S+ 0 0 28 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.884 111.3 50.8 -67.0 -35.3 2.3 10.1 8.1 107 114 A L H X S+ 0 0 1 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.959 110.9 50.6 -68.2 -46.8 3.5 7.1 6.3 108 115 A M H X S+ 0 0 0 -4,-3.3 4,-3.7 2,-0.2 5,-0.3 0.936 108.9 50.4 -47.7 -58.4 5.0 9.4 3.6 109 116 A A H X S+ 0 0 33 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.946 112.2 48.9 -42.1 -58.2 6.9 11.5 6.3 110 117 A G H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.910 113.6 45.1 -52.2 -45.3 8.3 8.2 7.7 111 118 A V H X S+ 0 0 0 -4,-2.2 4,-3.1 2,-0.2 5,-0.3 0.907 109.5 54.1 -72.9 -40.2 9.4 6.9 4.3 112 119 A V H X S+ 0 0 55 -4,-3.7 4,-3.2 1,-0.2 5,-0.2 0.964 110.3 51.1 -54.8 -49.0 11.0 10.2 3.2 113 120 A Y H X S+ 0 0 49 -4,-2.5 4,-1.5 -5,-0.3 -2,-0.2 0.929 111.4 43.1 -52.5 -56.9 12.9 10.0 6.4 114 121 A L H ><>S+ 0 0 0 -4,-2.3 5,-2.0 1,-0.2 3,-0.8 0.958 116.2 49.6 -54.0 -53.8 14.2 6.5 6.0 115 122 A H H ><5S+ 0 0 5 -4,-3.1 3,-1.1 1,-0.3 -1,-0.2 0.828 105.7 56.5 -57.3 -39.1 15.0 7.2 2.3 116 123 A G H 3<5S+ 0 0 59 -4,-3.2 -1,-0.3 -5,-0.3 -2,-0.2 0.828 109.9 45.3 -65.7 -30.6 16.8 10.4 3.2 117 124 A I T <<5S- 0 0 57 -4,-1.5 -1,-0.3 -3,-0.8 -2,-0.2 0.413 122.8-107.6 -93.6 9.8 19.1 8.4 5.5 118 125 A G T < 5S+ 0 0 0 -3,-1.1 30,-2.0 -4,-0.4 31,-0.9 0.787 76.0 128.9 83.7 30.7 19.5 5.6 2.8 119 126 A I E < -I 147 0D 0 -5,-2.0 2,-0.4 28,-0.2 -1,-0.2 -0.966 40.4-162.2-121.7 128.1 17.5 3.0 4.4 120 127 A T E -I 146 0D 1 26,-2.4 26,-1.4 -2,-0.5 60,-0.1 -0.921 9.7-155.0-106.7 135.0 14.7 1.0 2.7 121 128 A H - 0 0 1 -2,-0.4 23,-0.3 24,-0.2 -1,-0.1 0.874 17.1-163.7 -74.3 -41.4 12.2 -0.8 5.0 122 129 A R S S+ 0 0 25 57,-0.1 41,-0.2 1,-0.1 -1,-0.1 0.329 71.3 61.1 79.9 -2.7 11.3 -3.4 2.3 123 130 A D + 0 0 22 39,-0.1 2,-0.6 18,-0.1 5,-0.1 -0.138 59.2 162.7-150.6 45.2 8.2 -4.7 4.0 124 131 A I + 0 0 0 42,-0.1 39,-0.1 3,-0.1 66,-0.1 -0.567 21.1 136.3 -70.1 114.2 5.6 -1.8 4.4 125 132 A K > - 0 0 37 -2,-0.6 3,-1.2 64,-0.0 -40,-0.1 -0.942 69.0 -96.8-149.4 169.0 2.2 -3.3 5.1 126 133 A P G > S+ 0 0 1 0, 0.0 3,-1.6 0, 0.0 -40,-1.2 0.839 121.4 61.5 -62.8 -27.8 -0.5 -2.5 7.5 127 134 A E G 3 S+ 0 0 58 1,-0.3 -3,-0.1 -42,-0.2 -40,-0.0 0.802 105.7 50.4 -62.7 -28.7 0.7 -5.1 10.0 128 135 A N G < S+ 0 0 14 -3,-1.2 12,-2.0 -5,-0.1 2,-0.6 0.093 90.9 87.7 -96.5 17.5 3.9 -3.1 10.1 129 136 A L E < - G 0 139B 0 -3,-1.6 -44,-2.9 10,-0.2 -43,-0.3 -0.889 62.7-166.8-122.7 103.7 2.3 0.2 10.8 130 137 A L E -FG 84 138B 36 8,-2.3 8,-2.6 -2,-0.6 2,-0.4 -0.562 9.9-142.1 -93.3 149.8 1.8 0.8 14.4 131 138 A L E -FG 83 137B 0 -48,-3.1 -49,-2.3 -51,-0.3 -48,-1.0 -0.910 12.7-147.1-108.4 137.1 -0.4 3.6 15.9 132 139 A D > - 0 0 13 4,-2.5 3,-2.0 -2,-0.4 -52,-0.1 -0.241 42.6 -76.1 -87.1-171.1 0.6 5.4 19.1 133 140 A E T 3 S+ 0 0 122 1,-0.3 -53,-0.0 2,-0.1 -1,-0.0 0.771 134.5 41.8 -57.1 -35.1 -1.8 6.9 21.9 134 141 A R T 3 S- 0 0 185 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.031 125.6-101.8-100.8 28.3 -2.9 9.9 19.8 135 142 A D < + 0 0 53 -3,-2.0 2,-0.3 1,-0.2 -2,-0.1 0.727 66.4 159.0 60.7 27.9 -3.2 7.6 16.7 136 143 A N - 0 0 35 1,-0.0 -4,-2.5 -30,-0.0 2,-0.2 -0.662 40.7-121.4 -79.1 134.5 0.1 8.7 15.1 137 144 A L E - G 0 131B 2 -2,-0.3 2,-0.4 -6,-0.2 -6,-0.2 -0.581 28.6-171.5 -83.5 139.2 1.4 6.2 12.6 138 145 A K E - G 0 130B 9 -8,-2.6 -8,-2.3 -2,-0.2 2,-0.3 -0.999 24.8-123.6-133.6 130.2 4.9 4.7 13.2 139 146 A I E -eG 60 129B 0 -80,-3.9 -78,-2.1 -2,-0.4 2,-0.3 -0.575 39.4-167.0 -73.6 131.8 6.9 2.5 10.8 140 147 A S + 0 0 18 -12,-2.0 -12,-0.1 -2,-0.3 -1,-0.0 -0.759 39.7 32.4-124.7 156.7 7.8 -0.7 12.5 141 148 A D > - 0 0 62 -2,-0.3 3,-0.5 1,-0.1 -1,-0.2 0.988 40.2-170.7 64.5 90.0 10.0 -3.8 12.1 142 149 A F G > + 0 0 4 1,-0.2 3,-0.9 2,-0.1 -1,-0.1 0.153 50.8 119.8 -96.9 19.3 13.4 -3.2 10.5 143 150 A G G 3 S+ 0 0 20 1,-0.3 -1,-0.2 -20,-0.1 -95,-0.2 0.708 86.3 29.8 -51.6 -29.0 14.1 -6.9 10.2 144 151 A L G < S+ 0 0 54 -3,-0.5 -1,-0.3 -23,-0.3 -2,-0.1 0.384 94.2 122.6-114.9 0.4 14.3 -6.8 6.4 145 152 A A < + 0 0 2 -3,-0.9 2,-0.3 -26,-0.1 -24,-0.2 -0.075 36.0 174.2 -59.3 163.0 15.5 -3.2 6.2 146 153 A T E -I 120 0D 18 -26,-1.4 -26,-2.4 -95,-0.0 2,-0.4 -0.970 34.1 -96.3-166.3 165.5 18.9 -2.6 4.4 147 154 A V E +I 119 0D 40 -2,-0.3 -28,-0.2 -28,-0.2 3,-0.1 -0.769 35.0 166.4 -98.8 135.1 21.2 0.3 3.2 148 155 A F + 0 0 0 -30,-2.0 7,-2.2 -2,-0.4 2,-0.4 0.364 69.3 45.1-133.0 -7.6 20.8 1.4 -0.4 149 156 A R E +J 154 0E 67 -31,-0.9 -1,-0.4 5,-0.2 2,-0.3 -0.972 61.6 164.5-135.5 129.0 22.7 4.7 -0.3 150 157 A Y E > S-J 153 0E 142 3,-1.9 3,-2.4 -2,-0.4 -32,-0.1 -0.981 74.0 -1.5-137.9 137.5 26.1 4.9 1.5 151 158 A N T 3 S- 0 0 142 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.846 131.0 -60.0 49.6 40.4 28.5 7.8 1.0 152 159 A N T 3 S+ 0 0 140 1,-0.2 2,-0.5 -3,-0.0 -1,-0.3 0.709 111.3 120.3 56.9 25.0 26.1 9.3 -1.5 153 160 A R E < -J 150 0E 187 -3,-2.4 -3,-1.9 2,-0.0 2,-0.2 -0.984 54.3-143.0-117.2 128.2 26.2 6.3 -3.8 154 161 A E E -J 149 0E 75 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.557 12.9-163.2 -80.9 150.0 23.1 4.3 -4.5 155 162 A R - 0 0 132 -7,-2.2 24,-0.3 -2,-0.2 2,-0.1 -0.998 18.6-123.0-130.6 138.1 23.2 0.6 -4.9 156 163 A L - 0 0 66 -2,-0.4 2,-0.3 22,-0.1 22,-0.2 -0.370 25.7-122.9 -69.9 151.0 20.6 -1.6 -6.5 157 164 A L B +K 177 0F 13 20,-2.6 20,-1.9 1,-0.1 -1,-0.1 -0.685 28.6 174.7 -89.5 155.3 19.0 -4.4 -4.5 158 165 A N + 0 0 109 -2,-0.3 2,-0.4 18,-0.2 -1,-0.1 0.414 52.1 93.6-132.9 -14.9 19.1 -8.0 -5.7 159 166 A K S S- 0 0 102 1,-0.0 2,-0.5 2,-0.0 -2,-0.0 -0.695 73.0-130.9 -79.3 130.9 17.6 -10.0 -2.8 160 167 A M + 0 0 128 -2,-0.4 2,-0.3 12,-0.0 12,-0.0 -0.723 42.4 153.9 -78.4 124.6 13.8 -10.6 -3.1 161 168 A C + 0 0 19 -2,-0.5 2,-0.3 -39,-0.1 -39,-0.1 -0.971 16.5 43.6-152.8 178.0 11.9 -9.7 0.1 162 169 A G S S- 0 0 32 -2,-0.3 2,-0.5 -39,-0.1 -39,-0.1 -0.745 87.7 -34.9 97.6-145.4 8.7 -8.6 1.8 163 170 A T >> - 0 0 35 -2,-0.3 3,-2.3 -41,-0.2 4,-0.7 -0.981 49.7-128.8-133.7 117.9 5.2 -9.8 1.3 164 171 A L G >4 S+ 0 0 90 -2,-0.5 3,-1.1 1,-0.3 -1,-0.1 0.716 103.7 50.3 -46.0 -48.3 3.8 -10.8 -2.1 165 172 A P G 34 S+ 0 0 31 0, 0.0 -1,-0.3 0, 0.0 38,-0.2 0.793 119.1 42.0 -64.8 -17.8 0.6 -8.7 -2.3 166 173 A Y G <4 S+ 0 0 12 -3,-2.3 -2,-0.2 36,-0.1 23,-0.2 0.543 93.0 105.1 -99.1 -9.4 2.7 -5.6 -1.3 167 174 A V S << S- 0 0 9 -3,-1.1 -5,-0.1 -4,-0.7 -44,-0.0 -0.262 72.7-111.6 -83.2 156.6 5.7 -6.2 -3.5 168 175 A A >> - 0 0 0 1,-0.1 3,-1.7 35,-0.1 4,-1.0 -0.720 22.5-120.7 -93.3 148.4 6.5 -4.3 -6.7 169 176 A P H 3> S+ 0 0 1 0, 0.0 4,-1.9 0, 0.0 3,-0.2 0.761 109.7 60.1 -52.7 -30.8 6.4 -6.1 -10.0 170 177 A E H 3> S+ 0 0 4 1,-0.2 4,-2.5 2,-0.2 6,-0.0 0.840 93.9 62.8 -76.2 -27.4 10.0 -5.3 -10.7 171 178 A L H <4 S+ 0 0 9 -3,-1.7 -1,-0.2 1,-0.2 6,-0.0 0.924 109.5 42.4 -65.2 -32.9 11.2 -7.2 -7.7 172 179 A L H < S+ 0 0 55 -4,-1.0 -2,-0.2 -3,-0.2 -1,-0.2 0.914 123.6 37.2 -67.0 -40.9 9.6 -10.3 -9.4 173 180 A K H < S+ 0 0 98 -4,-1.9 2,-0.2 2,-0.0 -2,-0.2 0.692 105.4 57.6 -94.5 -21.6 10.9 -9.5 -12.8 174 181 A R < - 0 0 114 -4,-2.5 3,-0.1 1,-0.1 0, 0.0 -0.677 62.9-138.5-120.1 163.4 14.4 -8.0 -12.7 175 182 A R S S+ 0 0 200 1,-0.4 2,-0.3 -2,-0.2 -1,-0.1 0.753 97.0 21.6 -94.9 -31.5 17.7 -9.2 -11.2 176 183 A E S S+ 0 0 81 -6,-0.0 -1,-0.4 -3,-0.0 2,-0.3 -0.997 71.8 167.4-135.9 142.5 18.5 -5.8 -9.9 177 184 A F B -K 157 0F 4 -20,-1.9 -20,-2.6 -2,-0.3 2,-0.3 -0.923 40.3 -91.9-143.7 165.6 16.1 -2.9 -9.1 178 185 A H > - 0 0 83 -2,-0.3 4,-0.6 -22,-0.2 -22,-0.1 -0.637 29.8-138.5 -80.8 141.0 16.1 0.5 -7.2 179 186 A A H > S+ 0 0 0 -24,-0.3 4,-1.3 -2,-0.3 3,-0.5 0.883 91.0 58.7 -69.8 -43.0 15.1 0.3 -3.6 180 187 A E H >> S+ 0 0 63 1,-0.2 4,-2.1 2,-0.2 3,-1.0 0.949 99.7 52.4 -60.2 -55.9 13.0 3.5 -3.4 181 188 A P H 3> S+ 0 0 29 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.817 105.7 56.7 -50.6 -33.7 10.3 2.8 -6.0 182 189 A V H 3X S+ 0 0 9 -4,-0.6 4,-2.1 -3,-0.5 5,-0.2 0.890 107.3 49.4 -67.4 -36.4 9.5 -0.6 -4.4 183 190 A D H X S+ 0 0 0 -4,-2.6 4,-1.4 1,-0.2 3,-0.7 0.971 110.6 52.4 -59.5 -50.1 -5.7 0.8 -1.7 193 200 A A H >X S+ 0 0 4 -4,-3.1 4,-2.2 1,-0.2 3,-0.6 0.930 111.2 46.0 -46.0 -53.2 -6.0 -1.3 1.4 194 201 A M H 3< S+ 0 0 1 -4,-3.0 -99,-0.7 1,-0.2 -1,-0.2 0.752 115.8 44.3 -63.1 -25.3 -7.2 1.7 3.5 195 202 A L H << S+ 0 0 15 -4,-1.6 -1,-0.2 -3,-0.7 -2,-0.2 0.687 129.2 20.3-101.5 -11.0 -9.7 3.0 1.0 196 203 A A H << S- 0 0 0 -4,-1.4 -102,-0.2 -3,-0.6 -2,-0.2 0.430 90.9-126.6-134.6 -24.1 -11.4 -0.2 -0.1 197 204 A G S < S+ 0 0 12 -4,-2.2 -105,-2.2 -5,-0.5 2,-0.3 0.644 80.2 84.4 79.7 14.8 -10.7 -2.7 2.7 198 205 A E S S- 0 0 61 -6,-0.4 -1,-0.2 -5,-0.2 -2,-0.2 -0.993 77.9-116.2-144.3 157.7 -9.3 -5.3 0.3 199 206 A L - 0 0 68 -2,-0.3 3,-0.1 1,-0.1 -33,-0.1 -0.697 23.1-138.6 -86.2 137.4 -6.0 -6.1 -1.5 200 207 A P S S- 0 0 6 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.672 74.9 -6.4 -73.0 -19.7 -6.2 -5.8 -5.3 201 208 A W - 0 0 5 -36,-0.1 7,-0.0 9,-0.1 8,-0.0 -0.962 61.2-115.3-167.0 164.7 -4.2 -9.0 -6.2 202 209 A D S S- 0 0 112 1,-0.4 -36,-0.1 -2,-0.3 -1,-0.0 0.734 99.4 -14.9 -85.9 -23.3 -2.1 -11.8 -4.7 203 210 A Q S S- 0 0 70 -38,-0.2 2,-1.8 2,-0.1 -1,-0.4 -0.873 75.8-100.6-170.2 146.3 1.1 -10.7 -6.4 204 211 A P + 0 0 1 0, 0.0 2,-0.4 0, 0.0 -32,-0.1 -0.476 68.8 143.8 -73.4 68.1 1.8 -8.3 -9.3 205 212 A S > - 0 0 13 -2,-1.8 3,-3.1 1,-0.1 7,-0.2 -0.865 62.3-134.5-109.3 137.8 2.2 -11.1 -12.0 206 213 A D T 3 S+ 0 0 94 -2,-0.4 6,-0.1 1,-0.3 -1,-0.1 0.849 115.4 62.5 -47.7 -31.7 1.2 -11.1 -15.6 207 214 A S T 3 S+ 0 0 112 4,-0.1 2,-0.6 1,-0.0 -1,-0.3 0.544 87.3 89.7 -71.1 -5.0 -0.0 -14.5 -14.5 208 215 A C <> - 0 0 11 -3,-3.1 4,-2.1 1,-0.2 3,-0.4 -0.863 67.3-154.2-106.5 118.6 -2.4 -12.8 -12.0 209 216 A Q H > S+ 0 0 122 -2,-0.6 4,-2.1 1,-0.3 3,-0.5 0.906 92.8 47.8 -57.0 -56.9 -5.8 -12.0 -13.4 210 217 A E H > S+ 0 0 99 1,-0.3 4,-1.0 2,-0.2 -1,-0.3 0.796 111.1 53.0 -56.0 -35.1 -6.6 -9.0 -11.2 211 218 A Y H > S+ 0 0 2 -3,-0.4 4,-1.6 -6,-0.2 3,-0.5 0.901 106.7 53.1 -68.2 -37.3 -3.2 -7.5 -11.9 212 219 A S H X S+ 0 0 26 -4,-2.1 4,-1.3 -3,-0.5 -2,-0.2 0.907 106.1 53.8 -65.2 -38.4 -3.8 -7.8 -15.6 213 220 A D H <>S+ 0 0 19 -4,-2.1 5,-2.3 1,-0.2 -1,-0.2 0.725 104.5 53.7 -65.3 -27.7 -7.1 -6.0 -15.3 214 221 A W H ><5S+ 0 0 10 -4,-1.0 3,-1.7 -3,-0.5 -1,-0.2 0.878 106.2 51.4 -74.8 -40.1 -5.5 -3.0 -13.6 215 222 A K H 3<5S+ 0 0 82 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.812 108.9 53.5 -65.1 -29.6 -2.9 -2.6 -16.3 216 223 A E T 3<5S- 0 0 120 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.280 114.8-123.3 -84.0 7.4 -5.8 -2.6 -18.7 217 224 A K T < 5 + 0 0 140 -3,-1.7 2,-2.6 1,-0.2 -3,-0.2 0.665 54.1 157.0 60.1 23.6 -7.5 0.2 -16.6 218 225 A K > < + 0 0 58 -5,-2.3 3,-1.3 1,-0.2 -1,-0.2 -0.467 5.9 158.7 -72.0 69.3 -10.6 -1.7 -15.9 219 226 A T T 3 + 0 0 45 -2,-2.6 -1,-0.2 1,-0.3 -5,-0.1 0.246 52.7 87.7 -85.4 15.8 -11.2 0.4 -12.9 220 227 A Y T 3 S+ 0 0 147 4,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.582 80.0 70.7 -87.2 -15.7 -14.9 -0.6 -13.1 221 228 A L S X> S- 0 0 62 -3,-1.3 4,-1.0 -8,-0.1 3,-0.5 -0.629 91.2 -67.0 -90.4 158.0 -14.1 -3.6 -11.0 222 229 A N T 34 S+ 0 0 68 1,-0.3 -1,-0.1 2,-0.3 -2,-0.1 -0.421 108.6 38.0 -80.7 166.4 -13.2 -3.4 -7.3 223 230 A P T >4 S+ 0 0 2 0, 0.0 3,-1.0 0, 0.0 -1,-0.3 -0.998 124.9 52.8 -74.1 0.5 -11.4 -2.6 -5.2 224 231 A W G X> S+ 0 0 10 -3,-0.5 3,-2.5 1,-0.2 4,-0.7 0.879 99.7 59.5 -65.6 -38.9 -11.1 0.3 -7.6 225 232 A K G 3< S+ 0 0 139 -4,-1.0 -1,-0.2 1,-0.3 -3,-0.2 0.729 102.4 56.7 -64.5 -20.7 -14.9 1.1 -7.9 226 233 A K G <4 S+ 0 0 69 -3,-1.0 -1,-0.3 1,-0.1 -2,-0.2 0.503 97.5 71.6 -79.0 -9.1 -15.0 1.7 -4.2 227 234 A I T <4 S- 0 0 4 -3,-2.5 -2,-0.2 -4,-0.2 -1,-0.1 0.951 84.6-126.5 -96.2 -54.1 -12.2 4.3 -4.3 228 235 A D X - 0 0 83 -4,-0.7 4,-2.4 1,-0.1 5,-0.2 0.095 26.7 -91.7 106.1 138.5 -13.1 7.6 -5.8 229 236 A S H > S+ 0 0 83 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.694 113.4 51.5 -71.4 -31.5 -11.6 9.6 -8.5 230 237 A A H > S+ 0 0 4 2,-0.2 4,-1.4 1,-0.2 27,-0.4 0.994 118.3 34.9 -68.7 -59.3 -9.2 11.8 -6.6 231 238 A P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 -2,-0.2 0.839 116.1 57.7 -60.2 -30.9 -7.3 9.1 -4.6 232 239 A L H X S+ 0 0 21 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.886 100.5 57.1 -69.0 -34.3 -7.7 6.7 -7.5 233 240 A A H X S+ 0 0 32 -4,-1.9 4,-0.7 -3,-0.3 -1,-0.2 0.890 108.4 47.4 -61.5 -38.0 -5.9 9.2 -9.7 234 241 A L H >X S+ 0 0 0 -4,-1.4 4,-2.0 2,-0.2 3,-1.5 0.950 108.5 52.9 -65.7 -50.3 -3.0 9.1 -7.2 235 242 A L H 3X S+ 0 0 0 -4,-2.6 4,-3.6 1,-0.3 -2,-0.2 0.919 103.4 59.4 -50.8 -45.5 -3.1 5.2 -7.2 236 243 A H H 3< S+ 0 0 53 -4,-2.9 -1,-0.3 1,-0.2 -2,-0.2 0.804 108.8 44.6 -49.3 -31.4 -2.8 5.4 -11.0 237 244 A K H << S+ 0 0 79 -3,-1.5 10,-2.2 -4,-0.7 3,-0.4 0.757 118.0 42.3 -89.1 -23.7 0.5 7.3 -10.5 238 245 A I H < S+ 0 0 0 -4,-2.0 2,-1.6 1,-0.2 -2,-0.2 0.882 107.1 56.7 -86.3 -45.9 1.9 5.0 -7.9 239 246 A L S < S+ 0 0 6 -4,-3.6 2,-0.3 -5,-0.2 -1,-0.2 -0.275 74.6 137.3 -89.7 56.5 0.9 1.6 -9.2 240 247 A V - 0 0 40 -2,-1.6 6,-0.1 -3,-0.4 -3,-0.1 -0.778 50.2-140.8 -94.7 139.8 2.8 2.2 -12.5 241 248 A E S S+ 0 0 63 -2,-0.3 -71,-0.2 -72,-0.1 -1,-0.1 0.878 83.2 72.5 -78.9 -41.9 4.8 -0.9 -13.7 242 249 A N S >> S- 0 0 77 1,-0.2 3,-1.5 -73,-0.1 4,-1.1 -0.674 78.2-145.4 -75.7 117.2 7.9 0.5 -15.1 243 250 A P T 34 S+ 0 0 12 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.715 95.2 59.6 -59.0 -19.2 9.7 1.6 -11.9 244 251 A S T 34 S+ 0 0 95 1,-0.2 -2,-0.0 -3,-0.0 -3,-0.0 0.705 105.8 42.7 -83.7 -23.8 11.1 4.6 -13.9 245 252 A A T <4 S+ 0 0 68 -3,-1.5 -1,-0.2 2,-0.1 2,-0.1 0.537 91.1 111.9 -95.4 -12.4 7.8 6.2 -14.8 246 253 A R S < S- 0 0 8 -4,-1.1 -8,-0.2 1,-0.1 -9,-0.1 -0.428 79.2 -99.7 -65.2 134.2 6.4 5.6 -11.4 247 254 A I - 0 0 20 -10,-2.2 2,-0.2 -2,-0.1 -1,-0.1 -0.102 35.7-135.6 -53.8 146.9 5.7 8.7 -9.3 248 255 A T >> - 0 0 70 1,-0.1 4,-2.1 -3,-0.1 3,-0.8 -0.650 23.1-105.6-103.1 165.3 8.3 9.7 -6.7 249 256 A I H >> S+ 0 0 11 1,-0.3 4,-2.3 -2,-0.2 3,-0.6 0.928 118.4 55.7 -57.5 -49.0 7.7 10.9 -3.2 250 257 A P H 34 S+ 0 0 78 0, 0.0 -1,-0.3 0, 0.0 4,-0.1 0.846 113.4 45.2 -51.9 -34.6 8.4 14.6 -3.8 251 258 A D H X4 S+ 0 0 71 -3,-0.8 3,-0.7 2,-0.2 4,-0.3 0.750 104.9 58.8 -78.4 -32.9 5.7 14.4 -6.6 252 259 A I H X< S+ 0 0 1 -4,-2.1 3,-1.6 -3,-0.6 6,-0.2 0.900 101.0 59.5 -56.5 -40.9 3.2 12.4 -4.4 253 260 A K T 3< S+ 0 0 90 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.685 106.4 46.5 -62.9 -16.0 3.5 15.5 -2.1 254 261 A K T < S+ 0 0 146 -3,-0.7 -1,-0.3 -5,-0.2 -2,-0.2 0.436 86.3 119.5-105.4 2.2 2.3 17.6 -5.0 255 262 A D <> - 0 0 3 -3,-1.6 4,-1.3 -4,-0.3 5,-0.1 -0.352 69.4-123.4 -68.4 148.5 -0.6 15.3 -6.0 256 263 A R T >4 S+ 0 0 150 1,-0.2 3,-0.7 2,-0.2 4,-0.2 0.924 107.8 45.9 -62.7 -50.2 -4.2 16.8 -5.8 257 264 A W G >4 S+ 0 0 0 -27,-0.4 3,-0.9 1,-0.2 -1,-0.2 0.837 110.2 55.4 -62.4 -35.7 -5.8 14.3 -3.4 258 265 A Y G 34 S+ 0 0 23 1,-0.2 -1,-0.2 -6,-0.2 -2,-0.2 0.765 111.9 44.2 -62.0 -32.0 -2.8 14.4 -1.1 259 266 A N G << S+ 0 0 101 -4,-1.3 -1,-0.2 -3,-0.7 -2,-0.2 0.258 90.3 114.5-100.0 8.6 -3.2 18.2 -0.9 260 267 A K < - 0 0 90 -3,-0.9 2,-0.3 -4,-0.2 -3,-0.0 -0.664 67.4-125.4 -83.5 126.8 -7.0 18.0 -0.5 261 268 A P + 0 0 123 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.596 52.4 136.1 -73.5 133.3 -8.6 19.2 2.9 262 269 A L + 0 0 51 -2,-0.3 2,-0.4 1,-0.2 -163,-0.1 0.538 47.6 68.5-137.6 -45.9 -10.8 16.5 4.4 263 270 A K 0 0 98 -165,-0.2 -1,-0.2 -166,-0.1 -166,-0.0 -0.813 360.0 360.0-119.7 129.3 -10.1 16.3 8.2 264 271 A K 0 0 248 -2,-0.4 -1,-0.1 -3,-0.1 -2,-0.0 -0.073 360.0 360.0 -66.9 360.0 -10.7 18.4 11.4