==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 27-JUN-12 4FTR . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE CHK1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.N.KANG,J.A.STUCKEY,P.CHANG,A.J.RUSSELL . 258 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13105.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 175 67.8 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 . 47 18.2 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 . 2 0.8 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 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 67 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 2 0 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 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 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 3 A V > 0 0 148 0, 0.0 3,-0.9 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 121.3 3.2 4.9 -13.1 2 4 A P T 3 + 0 0 94 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.257 360.0 10.4 -68.0 155.9 3.7 1.2 -14.0 3 5 A F T > S+ 0 0 111 1,-0.1 3,-1.5 24,-0.0 24,-0.4 0.342 86.3 119.4 61.0 2.8 5.9 -1.3 -11.9 4 6 A V T < S+ 0 0 66 -3,-0.9 24,-0.1 1,-0.3 -1,-0.1 0.688 74.3 54.6 -66.2 -19.3 6.2 1.3 -9.0 5 7 A E T 3 S+ 0 0 78 -4,-0.2 2,-0.5 20,-0.1 -1,-0.3 0.488 87.5 100.9 -91.3 -6.9 4.4 -1.3 -6.7 6 8 A D < - 0 0 71 -3,-1.5 20,-2.6 2,-0.0 2,-0.4 -0.728 51.1-173.7 -89.7 126.0 7.0 -4.1 -7.5 7 9 A W E -A 25 0A 75 -2,-0.5 2,-0.5 18,-0.2 18,-0.2 -0.956 15.6-144.7-118.9 134.5 9.7 -4.8 -4.9 8 10 A D E -A 24 0A 91 16,-3.1 16,-2.5 -2,-0.4 2,-0.7 -0.871 14.6-137.7 -99.0 129.3 12.7 -7.1 -5.3 9 11 A L E +A 23 0A 96 -2,-0.5 14,-0.2 14,-0.2 3,-0.1 -0.799 30.0 171.7 -85.0 112.4 13.8 -8.9 -2.1 10 12 A V E - 0 0 80 12,-2.7 2,-0.3 -2,-0.7 -1,-0.2 0.773 53.9 -3.3-100.0 -29.9 17.6 -8.7 -2.2 11 13 A Q E -A 22 0A 116 11,-0.9 11,-3.2 0, 0.0 -1,-0.3 -0.975 68.7 -99.5-164.3 153.5 18.9 -10.0 1.2 12 14 A T E +A 21 0A 81 -2,-0.3 9,-0.3 9,-0.2 3,-0.1 -0.546 27.0 176.8 -76.7 130.8 17.8 -11.4 4.6 13 15 A L E S- 0 0 64 7,-3.3 2,-0.3 1,-0.5 8,-0.2 0.658 72.3 -11.6-102.9 -28.6 17.9 -8.9 7.5 14 16 A G E A 20 0A 22 6,-1.6 6,-3.4 0, 0.0 -1,-0.5 -0.948 360.0 360.0-167.3 158.1 16.4 -11.3 10.1 15 17 A E 0 0 92 4,-0.3 4,-0.3 -2,-0.3 -3,-0.0 -0.979 360.0 360.0-150.8 360.0 14.7 -14.7 10.3 16 ! 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 17 20 A Y 0 0 155 0, 0.0 2,-0.3 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 -38.8 8.0 -15.5 13.7 18 21 A G - 0 0 38 19,-0.2 2,-0.3 2,-0.0 19,-0.2 -0.989 360.0 -54.2 142.3-131.8 9.2 -15.8 10.1 19 22 A E E - B 0 36A 69 17,-1.7 17,-3.5 -2,-0.3 2,-0.4 -0.921 26.3-138.8-144.6 165.4 11.7 -13.5 8.3 20 23 A V E -AB 14 35A 24 -6,-3.4 -7,-3.3 -2,-0.3 -6,-1.6 -0.999 24.0-170.1-126.4 125.3 12.7 -9.9 7.4 21 24 A Q E -AB 12 34A 17 13,-2.7 13,-3.2 -2,-0.4 2,-0.5 -0.892 27.1-120.1-117.8 149.6 14.0 -9.0 3.9 22 25 A L E -AB 11 33A 12 -11,-3.2 -12,-2.7 -2,-0.3 -11,-0.9 -0.780 36.7-160.8 -82.8 119.7 15.6 -5.9 2.5 23 26 A A E -AB 9 32A 0 9,-4.0 9,-2.9 -2,-0.5 2,-0.4 -0.910 8.3-163.0-109.7 137.0 13.3 -4.8 -0.4 24 27 A V E -AB 8 31A 35 -16,-2.5 -16,-3.1 -2,-0.4 2,-0.2 -0.973 25.1-117.3-120.7 129.1 14.3 -2.5 -3.3 25 28 A N E > -A 7 0A 3 5,-2.1 4,-1.4 -2,-0.4 -18,-0.2 -0.503 14.7-140.1 -69.5 132.3 11.7 -0.8 -5.5 26 29 A R T 4 S+ 0 0 126 -20,-2.6 -22,-0.1 -23,-0.3 -1,-0.1 0.824 98.9 27.5 -57.7 -39.6 12.0 -1.9 -9.2 27 30 A V T 4 S+ 0 0 65 -24,-0.4 -1,-0.1 -21,-0.4 -23,-0.1 0.930 134.0 26.3 -91.8 -57.2 11.4 1.7 -10.5 28 31 A T T 4 S- 0 0 66 -24,-0.1 -2,-0.1 2,-0.1 3,-0.1 0.607 88.1-134.2 -87.3 -17.4 12.6 4.2 -7.7 29 32 A E < + 0 0 154 -4,-1.4 2,-0.2 1,-0.2 -3,-0.1 0.627 46.3 162.2 64.6 22.1 15.3 1.9 -6.1 30 33 A E - 0 0 121 -6,-0.1 -5,-2.1 1,-0.1 2,-0.4 -0.496 34.6-133.2 -68.8 132.8 13.9 3.0 -2.6 31 34 A A E +B 24 0A 42 -7,-0.2 44,-0.6 -2,-0.2 2,-0.3 -0.806 33.1 164.7 -94.0 130.7 15.0 0.5 0.1 32 35 A V E -BC 23 74A 10 -9,-2.9 -9,-4.0 -2,-0.4 2,-0.4 -0.953 34.3-121.1-137.1 156.8 12.4 -0.8 2.6 33 36 A A E -BC 22 73A 9 40,-3.1 40,-2.9 -2,-0.3 2,-0.6 -0.860 23.0-157.6-100.6 131.2 12.4 -3.7 5.1 34 37 A V E -BC 21 72A 4 -13,-3.2 -13,-2.7 -2,-0.4 2,-0.5 -0.951 0.5-157.9-116.7 116.8 9.6 -6.4 4.7 35 38 A K E -BC 20 71A 14 36,-2.5 36,-2.9 -2,-0.6 2,-0.6 -0.835 7.4-158.6 -94.9 123.7 8.7 -8.5 7.7 36 39 A I E BC 19 70A 25 -17,-3.5 -17,-1.7 -2,-0.5 34,-0.2 -0.937 360.0 360.0-110.6 110.0 7.0 -11.8 6.7 37 40 A V 0 0 51 32,-2.3 32,-2.8 -2,-0.6 -19,-0.2 -0.969 360.0 360.0-122.4 360.0 4.8 -13.4 9.4 38 ! 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 39 50 A E >> 0 0 211 0, 0.0 4,-1.3 0, 0.0 3,-0.7 0.000 360.0 360.0 360.0 5.7 -2.4 -12.7 17.7 40 51 A N H 3> + 0 0 92 1,-0.2 4,-1.8 2,-0.2 101,-0.1 0.642 360.0 62.3 -68.0 -14.6 0.7 -10.5 18.5 41 52 A I H 3> S+ 0 0 34 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.852 102.3 49.1 -76.5 -36.7 1.0 -9.8 14.7 42 53 A K H <> S+ 0 0 65 -3,-0.7 4,-1.7 2,-0.2 -2,-0.2 0.865 115.1 45.1 -66.6 -38.0 -2.5 -8.2 14.7 43 54 A K H X S+ 0 0 86 -4,-1.3 4,-2.9 2,-0.2 -2,-0.2 0.838 109.1 56.8 -72.7 -37.8 -1.3 -6.1 17.7 44 55 A E H X S+ 0 0 7 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.873 111.1 42.4 -59.7 -44.7 2.1 -5.3 16.0 45 56 A I H X S+ 0 0 10 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.915 116.0 49.5 -68.2 -47.5 0.3 -3.8 12.9 46 57 A C H X S+ 0 0 75 -4,-1.7 4,-0.8 2,-0.2 -2,-0.2 0.893 114.1 44.0 -58.9 -48.0 -2.2 -1.9 15.1 47 58 A I H >< S+ 0 0 2 -4,-2.9 3,-1.0 1,-0.2 4,-0.5 0.942 113.4 52.3 -66.5 -42.3 0.5 -0.5 17.4 48 59 A N H >< S+ 0 0 4 -4,-2.1 3,-1.0 1,-0.3 11,-0.3 0.806 102.4 58.7 -61.2 -36.1 2.7 0.4 14.3 49 60 A K H 3< S+ 0 0 138 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.735 104.0 53.4 -65.2 -26.1 -0.3 2.3 12.7 50 61 A M T << S+ 0 0 86 -3,-1.0 2,-0.3 -4,-0.8 -1,-0.2 0.633 94.2 97.0 -78.6 -20.8 -0.3 4.6 15.8 51 62 A L < + 0 0 16 -3,-1.0 8,-0.4 -4,-0.5 2,-0.2 -0.635 31.0 150.2 -90.6 134.6 3.5 5.4 15.4 52 63 A N + 0 0 119 -2,-0.3 2,-0.3 6,-0.1 5,-0.1 -0.721 27.6 123.0-158.4 93.8 5.1 8.5 13.8 53 64 A H > - 0 0 33 3,-0.4 3,-1.8 -2,-0.2 53,-0.0 -0.963 62.4-123.1-156.9 144.0 8.4 9.6 15.3 54 65 A E T 3 S+ 0 0 128 -2,-0.3 4,-0.1 1,-0.3 52,-0.1 0.651 114.5 47.4 -62.1 -21.7 12.0 10.2 13.9 55 66 A N T 3 S+ 0 0 13 79,-0.1 80,-2.7 2,-0.1 2,-0.4 0.120 100.6 78.2-109.1 20.5 13.5 7.7 16.5 56 67 A V B < S-e 135 0B 2 -3,-1.8 -3,-0.4 78,-0.3 80,-0.2 -0.997 94.8-102.9-128.6 130.6 10.8 5.0 15.8 57 68 A V - 0 0 8 78,-2.5 2,-0.1 -2,-0.4 -6,-0.1 -0.354 46.9-118.8 -55.0 119.0 11.1 2.6 12.7 58 69 A K - 0 0 100 -2,-0.1 16,-2.5 -4,-0.1 2,-0.5 -0.378 17.2-140.6 -67.4 137.3 8.4 4.1 10.3 59 70 A F E +D 73 0A 27 -8,-0.4 14,-0.2 -11,-0.3 3,-0.1 -0.904 19.3 179.5 -99.6 124.3 5.5 1.8 9.3 60 71 A Y E - 0 0 117 12,-3.1 2,-0.2 -2,-0.5 13,-0.2 0.688 55.5 -78.0 -97.0 -24.4 4.5 2.2 5.6 61 72 A G E -D 72 0A 19 11,-1.1 11,-3.0 2,-0.0 -1,-0.4 -0.871 38.8 -97.7 149.4 179.4 1.7 -0.3 5.6 62 73 A H E -D 71 0A 74 -2,-0.2 2,-0.4 9,-0.2 9,-0.2 -0.978 17.9-159.8-134.5 147.0 0.8 -4.0 5.5 63 74 A R E -D 70 0A 44 7,-2.0 7,-2.5 -2,-0.3 2,-0.5 -0.996 9.7-150.5-128.0 130.5 -0.3 -6.5 2.7 64 75 A R E +D 69 0A 79 -2,-0.4 2,-0.5 5,-0.2 5,-0.2 -0.920 15.2 177.0-106.4 120.0 -2.2 -9.7 3.4 65 76 A E E > -D 68 0A 61 3,-2.2 3,-1.5 -2,-0.5 2,-0.8 -0.827 63.9 -67.9-123.6 85.8 -1.6 -12.6 0.9 66 77 A G T 3 S- 0 0 88 -2,-0.5 -2,-0.0 1,-0.3 3,-0.0 -0.587 116.1 -12.3 74.1-103.9 -3.6 -15.6 2.2 67 78 A N T 3 S+ 0 0 104 -2,-0.8 2,-0.5 -3,-0.1 -1,-0.3 0.553 119.3 86.3-104.5 -15.6 -1.9 -16.8 5.5 68 79 A I E < - D 0 65A 33 -3,-1.5 -3,-2.2 -32,-0.0 2,-0.4 -0.811 63.8-152.8 -96.5 125.5 1.4 -14.7 5.1 69 80 A Q E - D 0 64A 49 -32,-2.8 -32,-2.3 -2,-0.5 2,-0.5 -0.812 3.9-154.3 -97.5 133.2 1.4 -11.1 6.5 70 81 A Y E -CD 36 63A 81 -7,-2.5 -7,-2.0 -2,-0.4 2,-0.6 -0.951 5.3-164.4-112.2 117.5 3.8 -8.5 4.9 71 82 A L E -CD 35 62A 0 -36,-2.9 -36,-2.5 -2,-0.5 2,-0.7 -0.924 8.6-151.4-106.5 116.4 4.9 -5.6 7.1 72 83 A F E +CD 34 61A 47 -11,-3.0 -12,-3.1 -2,-0.6 -11,-1.1 -0.810 28.5 170.2 -91.5 112.7 6.5 -2.6 5.1 73 84 A L E -CD 33 59A 21 -40,-2.9 -40,-3.1 -2,-0.7 -14,-0.2 -0.889 39.9 -83.9-128.1 157.5 8.9 -0.8 7.4 74 85 A E E -C 32 0A 31 -16,-2.5 2,-0.5 -2,-0.3 -42,-0.2 -0.324 44.1-129.3 -58.2 127.9 11.6 1.8 7.3 75 86 A Y - 0 0 59 -44,-0.6 2,-0.7 -52,-0.1 -44,-0.1 -0.745 15.4-160.3 -88.0 128.4 15.0 0.4 6.2 76 87 A C > - 0 0 8 -2,-0.5 3,-1.2 52,-0.1 51,-0.2 -0.930 3.8-169.9-111.9 100.4 17.9 1.4 8.5 77 88 A S T 3 S+ 0 0 63 -2,-0.7 51,-0.2 1,-0.2 -1,-0.1 0.699 79.6 68.1 -66.7 -22.8 21.2 0.9 6.5 78 89 A G T 3 S- 0 0 21 49,-1.8 -1,-0.2 1,-0.2 50,-0.2 0.508 94.3-150.1 -75.0 -7.1 23.4 1.3 9.6 79 90 A G E < -F 127 0B 30 -3,-1.2 48,-2.6 48,-0.6 2,-0.3 -0.352 42.3 -10.4 72.5-148.9 22.2 -2.0 11.0 80 91 A E E > -F 126 0B 66 46,-0.2 3,-1.6 1,-0.1 46,-0.2 -0.677 46.9-134.8 -93.8 141.5 21.9 -2.7 14.7 81 92 A L G >> S+ 0 0 0 44,-3.5 3,-2.5 41,-0.6 4,-0.6 0.842 105.1 73.9 -53.5 -35.2 23.3 -0.7 17.7 82 93 A F G >4 S+ 0 0 96 40,-1.4 3,-1.0 43,-0.3 -1,-0.3 0.843 92.9 51.9 -46.4 -42.4 24.4 -4.1 18.9 83 94 A D G <4 S+ 0 0 116 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.447 100.7 61.0 -81.7 0.8 27.2 -4.1 16.2 84 95 A R G <4 S+ 0 0 87 -3,-2.5 2,-0.6 -4,-0.2 -1,-0.2 0.497 86.4 90.2 -97.8 -8.7 28.5 -0.7 17.3 85 96 A I S << S- 0 0 24 -3,-1.0 6,-0.2 -4,-0.6 105,-0.1 -0.821 73.4-145.1 -92.6 114.0 29.3 -2.1 20.8 86 97 A E B >> -H 90 0C 113 4,-3.0 4,-2.8 -2,-0.6 3,-2.1 -0.703 33.5-103.3 -78.6 122.5 32.9 -3.5 20.9 87 98 A P T 34 S- 0 0 95 0, 0.0 107,-0.2 0, 0.0 106,-0.1 -0.243 101.0 -0.9 -53.4 132.5 32.9 -6.5 23.3 88 99 A D T 34 S+ 0 0 100 105,-2.9 105,-0.2 1,-0.2 106,-0.1 0.377 136.0 57.3 66.9 2.3 34.4 -5.7 26.7 89 100 A I T <4 S- 0 0 114 -3,-2.1 2,-0.5 104,-0.2 104,-0.3 0.696 78.6-163.2-121.6 -50.9 35.1 -2.1 25.5 90 101 A G B < -H 86 0C 2 -4,-2.8 -4,-3.0 102,-0.3 101,-0.2 -0.873 37.9 -67.1 100.6-124.0 31.8 -0.5 24.4 91 102 A M - 0 0 23 99,-1.4 -6,-0.1 -2,-0.5 5,-0.1 -0.937 65.0 -59.3-156.6 167.0 32.1 2.7 22.3 92 103 A P >> - 0 0 80 0, 0.0 4,-1.9 0, 0.0 3,-0.8 -0.307 50.2-122.1 -56.9 137.1 33.3 6.3 22.7 93 104 A E H 3> S+ 0 0 44 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.834 110.3 56.4 -49.2 -42.6 31.3 8.1 25.5 94 105 A P H 3> S+ 0 0 35 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.859 108.4 48.1 -63.3 -34.1 30.0 10.9 23.1 95 106 A D H <> S+ 0 0 56 -3,-0.8 4,-2.8 2,-0.2 -2,-0.2 0.924 112.5 48.3 -65.9 -47.3 28.5 8.3 20.7 96 107 A A H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.899 111.4 50.7 -60.0 -42.6 26.8 6.5 23.6 97 108 A Q H X S+ 0 0 10 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.935 111.5 47.0 -63.0 -45.6 25.5 9.9 24.9 98 109 A R H X S+ 0 0 59 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.928 114.5 47.0 -61.3 -45.8 24.0 10.8 21.5 99 110 A F H X S+ 0 0 5 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.885 112.6 50.8 -63.4 -38.2 22.5 7.3 21.1 100 111 A F H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.906 108.1 51.5 -66.0 -42.1 21.1 7.6 24.6 101 112 A H H X S+ 0 0 59 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.946 113.8 44.8 -55.7 -49.3 19.5 11.1 23.9 102 113 A Q H X S+ 0 0 27 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.860 111.4 52.7 -64.8 -38.0 17.8 9.6 20.7 103 114 A L H X S+ 0 0 1 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.922 110.3 48.3 -64.9 -42.8 16.7 6.5 22.7 104 115 A M H X S+ 0 0 0 -4,-2.6 4,-3.0 2,-0.2 5,-0.2 0.907 109.5 53.1 -63.3 -42.2 15.1 8.8 25.3 105 116 A A H X S+ 0 0 32 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.933 113.1 43.5 -57.9 -48.1 13.4 10.8 22.6 106 117 A G H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.889 115.8 46.8 -64.4 -41.3 11.9 7.6 21.1 107 118 A V H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.891 110.6 52.5 -70.4 -40.9 10.9 6.2 24.6 108 119 A V H X S+ 0 0 54 -4,-3.0 4,-2.3 2,-0.2 -1,-0.2 0.892 110.9 49.7 -56.9 -45.2 9.3 9.6 25.7 109 120 A Y H X S+ 0 0 50 -4,-1.9 4,-1.1 -5,-0.2 -2,-0.2 0.951 112.6 45.2 -60.1 -53.4 7.3 9.5 22.4 110 121 A L H ><>S+ 0 0 1 -4,-2.2 5,-3.1 1,-0.2 3,-0.6 0.902 115.3 46.3 -58.4 -47.7 6.1 5.9 23.0 111 122 A H H ><5S+ 0 0 8 -4,-2.8 3,-1.4 1,-0.2 -1,-0.2 0.863 106.8 60.6 -65.2 -36.0 5.2 6.5 26.7 112 123 A G H 3<5S+ 0 0 59 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.756 109.0 41.6 -60.3 -31.2 3.4 9.8 25.7 113 124 A I T <<5S- 0 0 60 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.269 125.3-103.1-100.6 9.0 1.0 7.9 23.5 114 125 A G T < 5S+ 0 0 0 -3,-1.4 30,-2.6 1,-0.3 31,-1.2 0.721 76.5 134.9 78.2 27.2 0.6 5.1 26.1 115 126 A I E < -I 143 0D 0 -5,-3.1 2,-0.4 28,-0.2 -1,-0.3 -0.903 36.2-165.2-108.9 135.4 2.8 2.5 24.4 116 127 A T E -I 142 0D 0 26,-2.4 26,-2.1 -2,-0.4 60,-0.1 -0.976 9.3-158.4-116.0 129.5 5.5 0.3 26.1 117 128 A H - 0 0 2 -2,-0.4 23,-0.3 24,-0.2 -1,-0.1 0.914 15.9-166.0 -69.0 -49.8 8.0 -1.5 23.8 118 129 A R S S+ 0 0 37 57,-0.1 41,-0.1 23,-0.1 -1,-0.1 0.347 71.5 63.0 76.7 0.2 8.9 -4.1 26.6 119 130 A D + 0 0 17 39,-0.1 2,-0.4 18,-0.1 5,-0.1 -0.170 61.4 163.1-146.0 47.6 12.0 -5.5 24.8 120 131 A I + 0 0 1 42,-0.1 39,-0.2 3,-0.1 66,-0.1 -0.592 21.3 130.0 -72.2 122.4 14.5 -2.5 24.6 121 132 A K S > S- 0 0 35 -2,-0.4 3,-1.6 64,-0.1 4,-0.2 -0.922 72.1 -92.8-164.0 163.3 18.0 -3.9 23.8 122 133 A P G > S+ 0 0 0 0, 0.0 -40,-1.4 0, 0.0 3,-1.1 0.765 121.5 62.2 -63.8 -23.1 20.7 -3.1 21.2 123 134 A E G 3 S+ 0 0 61 1,-0.2 -3,-0.1 -42,-0.2 -40,-0.0 0.787 106.5 46.9 -65.7 -28.8 19.4 -5.7 18.8 124 135 A N G < S+ 0 0 15 -3,-1.6 12,-2.9 -5,-0.1 2,-0.6 0.267 95.0 84.7 -99.8 11.0 16.1 -3.7 18.6 125 136 A L E < - G 0 135B 1 -3,-1.1 -44,-3.5 10,-0.2 -43,-0.3 -0.950 64.9-171.0-117.3 103.9 17.8 -0.3 18.2 126 137 A L E -FG 80 134B 32 8,-2.7 8,-2.6 -2,-0.6 2,-0.4 -0.611 12.6-139.3 -98.1 156.0 18.6 0.2 14.5 127 138 A L E -FG 79 133B 0 -48,-2.6 -49,-1.8 -51,-0.2 -48,-0.6 -0.970 9.4-147.4-121.4 133.1 20.6 2.9 12.9 128 139 A D > - 0 0 9 4,-2.0 3,-1.9 -2,-0.4 -52,-0.1 -0.138 47.3 -77.4 -83.5-172.5 19.8 4.8 9.6 129 140 A E T 3 S+ 0 0 131 1,-0.3 -53,-0.1 2,-0.1 -1,-0.0 0.773 135.4 46.5 -58.6 -30.7 22.4 6.2 7.1 130 141 A R T 3 S- 0 0 197 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.147 123.2-104.6 -98.0 17.6 23.2 9.2 9.4 131 142 A D < + 0 0 54 -3,-1.9 2,-0.5 1,-0.2 -2,-0.1 0.807 65.3 160.9 61.8 33.6 23.5 6.9 12.5 132 143 A N - 0 0 48 1,-0.0 -4,-2.0 -30,-0.0 -1,-0.2 -0.770 40.2-122.1 -86.7 127.7 20.1 8.0 13.8 133 144 A L E - G 0 127B 1 -2,-0.5 2,-0.4 -6,-0.2 -6,-0.2 -0.514 28.7-171.7 -71.6 137.6 18.7 5.6 16.3 134 145 A K E - G 0 126B 17 -8,-2.6 -8,-2.7 -2,-0.2 2,-0.3 -0.998 23.6-127.5-133.8 126.1 15.3 4.0 15.6 135 146 A I E -eG 56 125B 0 -80,-2.7 -78,-2.5 -2,-0.4 2,-0.3 -0.578 37.5-164.3 -73.6 128.6 13.3 1.8 18.0 136 147 A S + 0 0 24 -12,-2.9 -1,-0.0 -2,-0.3 -13,-0.0 -0.885 41.3 31.5-123.2 153.4 12.4 -1.5 16.2 137 148 A D - 0 0 57 -2,-0.3 3,-0.4 1,-0.1 -1,-0.2 0.975 41.1-171.0 70.6 95.8 10.0 -4.5 16.6 138 149 A F + 0 0 4 1,-0.2 3,-0.5 2,-0.1 -91,-0.1 0.078 55.9 112.2-100.7 25.8 6.7 -3.7 18.3 139 150 A G S S+ 0 0 8 1,-0.2 -1,-0.2 -92,-0.0 -95,-0.1 0.673 86.1 34.4 -70.6 -24.4 5.8 -7.5 18.5 140 151 A L S S+ 0 0 57 -3,-0.4 -1,-0.2 -23,-0.3 -2,-0.1 0.358 97.8 115.3-108.6 -0.7 6.1 -7.5 22.3 141 152 A A - 0 0 1 -3,-0.5 2,-0.3 -101,-0.1 -24,-0.2 -0.286 41.4-179.4 -72.1 154.3 4.7 -3.9 22.7 142 153 A T E -I 116 0D 17 -26,-2.1 -26,-2.4 -95,-0.0 2,-0.5 -0.981 34.5 -99.0-151.4 162.7 1.4 -3.1 24.4 143 154 A V E +I 115 0D 37 -2,-0.3 -28,-0.2 -28,-0.2 3,-0.1 -0.724 35.9 168.9 -82.5 123.1 -1.0 -0.3 25.4 144 155 A F + 0 0 0 -30,-2.6 7,-3.0 -2,-0.5 2,-0.4 0.472 68.2 43.8-110.9 -10.9 -0.4 0.6 29.1 145 156 A R E +J 150 0E 67 -31,-1.2 2,-0.3 5,-0.2 -1,-0.3 -0.980 62.0 162.3-140.4 125.9 -2.5 3.9 29.0 146 157 A Y E > S+J 149 0E 140 3,-2.0 3,-1.9 -2,-0.4 -32,-0.1 -0.995 72.4 3.2-145.1 134.8 -5.9 4.3 27.4 147 158 A N T 3 S- 0 0 138 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.869 129.7 -64.1 53.3 38.9 -8.6 7.0 27.9 148 159 A N T 3 S+ 0 0 145 1,-0.2 2,-0.5 -3,-0.1 -1,-0.3 0.621 112.4 123.0 58.4 22.4 -5.9 8.6 30.3 149 160 A R E < -J 146 0E 196 -3,-1.9 -3,-2.0 2,-0.0 2,-0.3 -0.949 57.1-138.5-114.2 121.5 -6.2 5.5 32.6 150 161 A E E -J 145 0E 73 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.631 10.6-155.9 -81.0 135.6 -3.1 3.5 33.3 151 162 A R - 0 0 142 -7,-3.0 24,-0.3 -2,-0.3 2,-0.2 -0.926 16.2-130.7-110.0 132.3 -3.3 -0.3 33.3 152 163 A L - 0 0 71 -2,-0.4 2,-0.2 22,-0.1 22,-0.2 -0.517 24.0-128.2 -77.5 148.6 -0.7 -2.2 35.4 153 164 A L B +K 173 0F 16 20,-3.1 20,-2.0 -2,-0.2 -1,-0.1 -0.627 32.5 167.9 -99.6 162.2 1.1 -5.0 33.6 154 165 A N + 0 0 108 18,-0.2 2,-0.3 -2,-0.2 -1,-0.1 0.351 43.6 108.9-146.2 -9.5 1.5 -8.6 34.7 155 166 A K - 0 0 41 1,-0.1 2,-0.8 0, 0.0 -2,-0.0 -0.605 70.0-122.4 -82.0 138.4 2.9 -10.5 31.6 156 167 A M + 0 0 129 -2,-0.3 2,-0.3 12,-0.0 -1,-0.1 -0.743 49.9 156.7 -76.3 104.4 6.5 -11.7 31.5 157 168 A C + 0 0 28 -2,-0.8 2,-0.3 -39,-0.0 -39,-0.1 -0.951 26.2 38.4-131.9 153.8 7.9 -10.0 28.4 158 169 A G S S- 0 0 31 -2,-0.3 2,-0.4 -39,-0.1 -39,-0.1 -0.749 86.2 -53.4 114.4-160.5 11.5 -9.1 27.4 159 170 A T >> - 0 0 37 -2,-0.3 3,-2.4 -39,-0.2 4,-0.8 -0.995 46.7-125.3-130.7 117.4 15.0 -10.5 27.5 160 171 A L G >4 S+ 0 0 84 -2,-0.4 3,-0.9 1,-0.3 -1,-0.1 0.725 106.4 52.7 -38.0 -50.7 16.3 -11.5 31.0 161 172 A P G 34 S+ 0 0 28 0, 0.0 -1,-0.3 0, 0.0 36,-0.2 0.803 118.8 39.8 -61.5 -22.0 19.6 -9.4 31.0 162 173 A Y G <4 S+ 0 0 12 -3,-2.4 -2,-0.2 36,-0.1 23,-0.2 0.501 91.3 108.4-100.8 -10.9 17.5 -6.3 30.2 163 174 A V S << S- 0 0 9 -3,-0.9 -5,-0.1 -4,-0.8 16,-0.1 -0.441 71.3-116.1 -76.2 147.4 14.3 -6.9 32.4 164 175 A A >> - 0 0 0 -2,-0.1 3,-1.2 1,-0.1 4,-0.6 -0.458 25.8-117.9 -73.1 149.3 13.6 -4.8 35.5 165 176 A P H >> S+ 0 0 6 0, 0.0 4,-1.3 0, 0.0 3,-0.8 0.775 110.0 64.8 -63.1 -27.1 13.7 -6.8 38.8 166 177 A E H 3> S+ 0 0 5 1,-0.2 4,-3.0 71,-0.2 72,-0.0 0.800 92.3 64.1 -63.5 -28.8 9.9 -6.1 39.6 167 178 A L H <4 S+ 0 0 11 -3,-1.2 -1,-0.2 1,-0.2 6,-0.0 0.846 111.0 36.8 -65.5 -30.1 9.0 -8.1 36.5 168 179 A L H << S+ 0 0 62 -3,-0.8 -1,-0.2 -4,-0.6 -2,-0.2 0.664 126.9 36.1 -91.8 -20.3 10.5 -11.2 38.3 169 180 A K H < S+ 0 0 74 -4,-1.3 2,-0.3 1,-0.1 -2,-0.2 0.753 108.0 59.4-104.7 -28.9 9.3 -10.3 41.9 170 181 A R < - 0 0 172 -4,-3.0 3,-0.1 -5,-0.2 -1,-0.1 -0.821 62.9-143.8-110.2 148.1 5.9 -8.7 41.6 171 182 A R S S+ 0 0 87 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.885 93.1 26.2 -70.1 -40.6 2.7 -10.0 40.1 172 183 A E S S+ 0 0 113 -3,-0.1 2,-0.3 -18,-0.0 -18,-0.2 -0.927 70.4 167.8-126.8 149.8 1.9 -6.4 38.8 173 184 A F B -K 153 0F 12 -20,-2.0 -20,-3.1 -2,-0.3 2,-0.2 -0.990 38.7 -95.8-159.1 155.6 4.0 -3.5 37.9 174 185 A H > - 0 0 82 -2,-0.3 4,-0.6 -22,-0.2 -22,-0.1 -0.481 30.7-138.6 -73.4 138.1 4.0 -0.1 36.1 175 186 A A H > S+ 0 0 0 -24,-0.3 4,-1.2 -2,-0.2 3,-0.4 0.861 91.3 57.3 -65.9 -47.7 5.1 -0.2 32.4 176 187 A E H > S+ 0 0 61 1,-0.2 4,-2.0 2,-0.2 3,-0.3 0.887 101.3 52.6 -63.2 -45.6 7.3 2.9 32.2 177 188 A P H > S+ 0 0 26 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.794 105.5 59.5 -60.6 -24.5 9.9 2.1 34.9 178 189 A V H X S+ 0 0 13 -4,-0.6 4,-1.7 -3,-0.4 -2,-0.2 0.923 108.3 41.9 -68.3 -44.7 10.4 -1.2 33.1 179 190 A D H X S+ 0 0 1 -4,-1.2 4,-2.0 -3,-0.3 -1,-0.2 0.840 111.5 56.8 -68.8 -34.8 11.5 0.5 29.8 180 191 A V H X S+ 0 0 5 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.940 107.4 49.2 -61.5 -44.8 13.6 3.0 31.8 181 192 A W H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 3,-0.4 0.920 109.1 50.0 -57.6 -52.7 15.5 0.1 33.4 182 193 A S H X S+ 0 0 7 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.884 107.9 55.1 -60.3 -35.4 16.2 -1.7 30.0 183 194 A C H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.856 106.7 51.6 -62.2 -36.8 17.5 1.8 28.6 184 195 A G H X S+ 0 0 0 -4,-1.5 4,-2.4 -3,-0.4 -2,-0.2 0.877 109.0 48.7 -68.2 -36.4 20.0 1.8 31.6 185 196 A I H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.912 111.7 50.5 -68.9 -38.4 21.2 -1.8 30.7 186 197 A V H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.950 110.4 49.2 -60.6 -48.9 21.6 -0.5 27.0 187 198 A L H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.913 110.5 51.0 -57.9 -44.1 23.6 2.5 28.4 188 199 A T H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 5,-0.4 0.930 110.9 48.3 -56.7 -47.9 25.8 0.1 30.4 189 200 A A H X S+ 0 0 6 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.905 110.5 51.4 -61.7 -43.5 26.4 -2.1 27.3 190 201 A M H < S+ 0 0 0 -4,-2.7 -99,-1.4 1,-0.2 -1,-0.2 0.833 117.7 38.1 -63.4 -34.4 27.3 1.0 25.2 191 202 A L H < S+ 0 0 16 -4,-1.9 -1,-0.2 -101,-0.2 -2,-0.2 0.639 132.7 21.4 -93.7 -17.0 29.8 2.2 27.9 192 203 A A H < S- 0 0 0 -4,-1.8 -102,-0.3 -3,-0.2 -3,-0.2 0.515 89.3-129.1-126.6 -14.2 31.4 -1.1 29.0 193 204 A G S < S+ 0 0 13 -4,-2.5 -105,-2.9 -5,-0.4 2,-0.3 0.767 79.3 83.8 65.9 25.8 30.7 -3.6 26.2 194 205 A E S S- 0 0 56 -6,-0.3 -2,-0.2 -107,-0.2 -1,-0.2 -0.981 79.2-115.1-153.9 157.3 29.2 -6.1 28.6 195 206 A L - 0 0 66 -2,-0.3 3,-0.1 1,-0.1 -33,-0.1 -0.789 23.3-138.7 -94.4 131.2 26.0 -6.9 30.4 196 207 A P S S- 0 0 7 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.879 76.7 -1.0 -65.7 -33.4 26.2 -6.6 34.2 197 208 A W - 0 0 6 -36,-0.2 7,-0.0 9,-0.1 -3,-0.0 -0.972 59.9-119.9-151.1 162.6 24.1 -9.7 35.0 198 209 A D S S- 0 0 124 1,-0.3 -36,-0.1 -2,-0.3 -1,-0.1 0.782 102.2 -12.7 -70.8 -30.8 22.2 -12.7 33.5 199 210 A Q S S- 0 0 65 2,-0.1 2,-1.9 -38,-0.1 -1,-0.3 -0.935 75.5-102.4-166.4 151.2 19.1 -11.4 35.3 200 211 A P S S+ 0 0 4 0, 0.0 2,-0.3 0, 0.0 -32,-0.1 -0.432 73.4 123.9 -86.1 73.7 18.3 -8.9 38.1 201 212 A S S > S- 0 0 23 -2,-1.9 3,-1.6 1,-0.1 6,-0.3 -0.930 71.5-121.3-129.6 152.1 17.8 -11.3 41.1 202 213 A D T 3 S+ 0 0 105 -2,-0.3 6,-0.2 1,-0.3 -1,-0.1 0.777 113.8 64.5 -58.5 -29.8 19.4 -11.7 44.5 203 214 A S T 3 S+ 0 0 108 4,-0.1 2,-0.7 5,-0.0 -1,-0.3 0.729 87.2 84.2 -64.2 -24.4 20.5 -15.3 43.5 204 215 A C S <> S- 0 0 12 -3,-1.6 4,-2.0 1,-0.2 3,-0.3 -0.774 71.8-156.2 -87.8 110.6 22.6 -13.5 40.8 205 216 A Q H > S+ 0 0 112 -2,-0.7 4,-2.2 1,-0.2 -1,-0.2 0.832 91.8 54.6 -54.0 -44.2 26.0 -12.5 42.5 206 217 A E H > S+ 0 0 98 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.874 109.9 47.4 -62.3 -37.0 26.7 -9.7 40.0 207 218 A Y H > S+ 0 0 1 -3,-0.3 4,-1.9 -6,-0.3 -2,-0.2 0.900 110.5 51.8 -71.5 -39.6 23.3 -8.1 40.8 208 219 A S H X S+ 0 0 29 -4,-2.0 4,-1.6 -7,-0.3 -2,-0.2 0.869 107.9 52.7 -62.6 -40.3 24.0 -8.5 44.6 209 220 A D H <>S+ 0 0 24 -4,-2.2 5,-2.8 2,-0.2 -1,-0.2 0.838 107.5 51.7 -63.0 -40.0 27.4 -6.7 44.2 210 221 A W H ><5S+ 0 0 13 -4,-1.4 3,-1.6 3,-0.2 -2,-0.2 0.906 109.0 49.2 -64.1 -44.3 25.7 -3.7 42.3 211 222 A K H 3<5S+ 0 0 87 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.857 109.9 52.5 -64.3 -31.6 23.1 -3.4 45.2 212 223 A E T 3<5S- 0 0 117 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.387 118.2-120.8 -79.7 -1.9 26.1 -3.4 47.6 213 224 A K T < 5 + 0 0 56 -3,-1.6 2,-1.8 1,-0.2 -3,-0.2 0.813 52.9 162.0 61.6 41.2 27.6 -0.6 45.4 214 225 A K > < + 0 0 50 -5,-2.8 3,-1.3 1,-0.2 -1,-0.2 -0.499 6.0 156.1 -86.3 68.1 30.8 -2.6 44.5 215 226 A T T 3 + 0 0 42 -2,-1.8 -1,-0.2 1,-0.3 -5,-0.1 0.498 56.4 80.4 -77.3 -2.0 31.5 -0.3 41.5 216 227 A Y T 3 S+ 0 0 150 -3,-0.1 -1,-0.3 4,-0.1 2,-0.2 0.509 87.3 75.7 -78.6 -7.1 35.3 -1.2 41.6 217 228 A L S <> S- 0 0 60 -3,-1.3 4,-1.7 1,-0.1 3,-0.2 -0.538 93.0 -50.5 -98.0 167.7 34.2 -4.4 39.7 218 229 A N T 4 S+ 0 0 76 1,-0.3 -1,-0.1 2,-0.2 -2,-0.1 -0.523 114.6 18.5 -78.4 145.7 33.3 -4.9 36.1 219 230 A P T >4 S+ 0 0 2 0, 0.0 3,-1.5 0, 0.0 -1,-0.3 -0.999 125.4 52.7 -83.5 -12.3 31.4 -3.5 34.2 220 231 A W G >4 S+ 0 0 7 1,-0.3 3,-1.5 -3,-0.2 -2,-0.2 0.730 97.8 64.4 -60.6 -31.5 31.2 -0.4 36.4 221 232 A K G 3< S+ 0 0 127 -4,-1.7 -1,-0.3 1,-0.3 -3,-0.1 0.720 99.1 55.5 -69.8 -19.2 35.0 0.2 36.7 222 233 A K G < S+ 0 0 69 -3,-1.5 2,-0.4 -5,-0.2 -1,-0.3 0.468 95.3 86.1 -85.7 -7.0 35.2 0.9 32.9 223 234 A I S < S- 0 0 13 -3,-1.5 -31,-0.1 -4,-0.2 -35,-0.0 -0.862 82.5-117.1-105.8 131.2 32.5 3.7 33.2 224 235 A D > - 0 0 77 -2,-0.4 4,-2.2 1,-0.1 5,-0.2 -0.234 29.7-111.0 -60.9 152.2 33.2 7.3 34.1 225 236 A S H > S+ 0 0 82 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.798 112.7 56.9 -56.8 -38.7 31.8 8.7 37.4 226 237 A A H > S+ 0 0 2 2,-0.2 4,-1.3 1,-0.2 27,-0.3 0.981 114.7 34.6 -65.6 -56.7 29.3 11.1 35.6 227 238 A P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 -2,-0.2 0.871 116.9 57.4 -64.8 -30.2 27.4 8.4 33.4 228 239 A L H X S+ 0 0 19 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.886 101.9 54.6 -63.8 -37.8 27.9 5.9 36.4 229 240 A A H X S+ 0 0 44 -4,-2.1 4,-0.6 -3,-0.3 -1,-0.2 0.846 109.0 48.8 -63.5 -35.1 26.0 8.4 38.7 230 241 A L H >X S+ 0 0 0 -4,-1.3 4,-1.6 2,-0.2 3,-1.1 0.921 109.5 50.7 -69.6 -44.7 23.1 8.3 36.1 231 242 A L H 3X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.3 -2,-0.2 0.858 103.8 59.9 -62.5 -32.3 23.2 4.4 36.1 232 243 A H H 3< S+ 0 0 76 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.755 109.8 43.3 -63.5 -26.7 23.0 4.6 39.9 233 244 A K H << S+ 0 0 81 -3,-1.1 10,-2.1 -4,-0.6 3,-0.3 0.739 118.8 42.0 -90.3 -28.1 19.7 6.4 39.5 234 245 A I H < S+ 0 0 0 -4,-1.6 2,-1.5 1,-0.2 -2,-0.2 0.876 107.0 58.5 -83.1 -48.2 18.3 4.2 36.7 235 246 A L S < S+ 0 0 4 -4,-2.9 2,-0.5 -5,-0.2 -1,-0.2 -0.268 74.0 139.6 -87.6 54.8 19.3 0.8 38.0 236 247 A V - 0 0 40 -2,-1.5 6,-0.2 -3,-0.3 5,-0.1 -0.862 50.7-142.6 -97.0 125.4 17.3 1.2 41.2 237 248 A E S S+ 0 0 78 -2,-0.5 -71,-0.2 4,-0.1 -1,-0.1 0.853 86.4 72.8 -58.1 -46.3 15.5 -2.0 42.4 238 249 A N S >> S- 0 0 88 1,-0.2 3,-1.2 -73,-0.1 4,-1.2 -0.670 72.8-155.7 -73.4 111.8 12.4 -0.2 43.7 239 250 A P T 34 S+ 0 0 33 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.742 93.0 57.7 -62.5 -22.1 10.5 0.9 40.5 240 251 A S T 34 S+ 0 0 104 1,-0.2 -2,-0.1 -3,-0.0 -3,-0.0 0.682 111.2 41.5 -77.1 -23.1 8.8 3.8 42.6 241 252 A A T <4 S+ 0 0 66 -3,-1.2 -1,-0.2 -5,-0.1 3,-0.1 0.578 92.1 110.2 -98.8 -12.9 12.2 5.2 43.6 242 253 A R S < S- 0 0 9 -4,-1.2 -8,-0.2 -6,-0.2 -9,-0.1 -0.326 81.5 -97.5 -63.5 141.1 13.8 4.7 40.1 243 254 A I - 0 0 19 -10,-2.1 2,-0.2 -13,-0.1 -1,-0.1 -0.252 36.3-136.6 -59.7 140.8 14.5 7.9 38.1 244 255 A T > - 0 0 73 -3,-0.1 4,-1.8 1,-0.1 3,-0.4 -0.586 26.2-104.7 -93.3 166.3 11.8 8.9 35.6 245 256 A I H > S+ 0 0 11 2,-0.2 4,-2.3 1,-0.2 3,-0.3 0.932 119.4 59.5 -61.7 -44.3 12.7 10.2 32.0 246 257 A P H 4 S+ 0 0 85 0, 0.0 4,-0.3 0, 0.0 -1,-0.2 0.866 111.8 41.9 -52.3 -34.8 11.9 13.9 32.9 247 258 A D H >4 S+ 0 0 71 -3,-0.4 3,-0.9 2,-0.2 4,-0.3 0.809 107.4 59.4 -82.8 -26.1 14.6 13.6 35.6 248 259 A I H >< S+ 0 0 0 -4,-1.8 3,-1.8 -3,-0.3 6,-0.2 0.916 101.9 56.5 -61.4 -42.2 17.0 11.7 33.3 249 260 A K T 3< S+ 0 0 87 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.635 106.5 50.0 -63.1 -18.1 16.8 14.8 31.0 250 261 A K T < S+ 0 0 151 -3,-0.9 -1,-0.3 -4,-0.3 -2,-0.2 0.397 85.1 122.1 -97.6 -3.7 18.0 16.9 34.0 251 262 A D <> - 0 0 6 -3,-1.8 4,-1.8 -4,-0.3 5,-0.1 -0.328 67.5-129.2 -65.1 143.9 21.0 14.5 34.8 252 263 A R T 4 S+ 0 0 162 2,-0.2 -1,-0.1 1,-0.2 4,-0.1 0.918 108.7 42.3 -60.0 -49.6 24.4 16.2 34.7 253 264 A W T >4 S+ 0 0 1 -27,-0.3 3,-1.8 1,-0.2 -1,-0.2 0.915 109.8 58.7 -66.3 -41.4 26.0 13.6 32.3 254 265 A Y T 34 S+ 0 0 22 1,-0.3 -1,-0.2 -6,-0.2 -2,-0.2 0.883 115.0 36.8 -50.6 -41.5 22.9 13.6 30.1 255 266 A N T 3< S+ 0 0 99 -4,-1.8 -1,-0.3 -3,-0.1 -2,-0.2 0.245 89.7 122.7 -97.1 11.7 23.4 17.4 29.6 256 267 A K < - 0 0 72 -3,-1.8 2,-0.3 -4,-0.1 -3,-0.0 -0.629 66.6-123.7 -78.3 123.4 27.3 17.2 29.5 257 268 A P + 0 0 122 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.514 58.8 133.0 -68.5 122.6 28.7 18.7 26.2 258 269 A L + 0 0 54 -2,-0.3 2,-0.4 1,-0.2 -163,-0.1 0.545 44.0 70.7-137.3 -41.8 30.8 15.9 24.7 259 270 A K 0 0 99 -165,-0.2 -1,-0.2 -166,-0.1 -166,-0.0 -0.827 360.0 360.0-105.8 135.1 30.1 15.4 21.0 260 271 A K 0 0 243 -2,-0.4 -1,-0.0 -3,-0.1 -2,-0.0 -0.256 360.0 360.0 -76.0 360.0 31.0 17.6 18.0