==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 27-JUN-12 4FT7 . 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 . 270 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14424.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 184 68.1 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 18.9 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 . 26 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 66 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 1 0 1 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 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 3 A V > 0 0 141 0, 0.0 3,-1.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 125.7 3.2 4.9 -13.0 2 4 A P T 3 + 0 0 96 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.391 360.0 14.1 -68.2 146.5 3.5 1.2 -14.0 3 5 A F T > S+ 0 0 112 1,-0.1 3,-1.8 -2,-0.0 24,-0.3 0.266 82.5 120.6 78.3 -2.2 5.7 -1.2 -11.8 4 6 A V T < S+ 0 0 63 -3,-1.0 25,-0.2 1,-0.3 24,-0.1 0.723 72.4 58.4 -60.6 -26.3 6.0 1.2 -8.7 5 7 A E T 3 S+ 0 0 81 21,-0.1 2,-0.4 22,-0.1 -1,-0.3 0.466 86.3 100.8 -84.1 -2.3 4.3 -1.4 -6.4 6 8 A D < - 0 0 73 -3,-1.8 21,-2.8 2,-0.0 2,-0.4 -0.743 49.7-175.4 -92.9 129.6 7.0 -4.0 -7.3 7 9 A W E -A 26 0A 74 -2,-0.4 2,-0.4 19,-0.2 19,-0.2 -0.981 16.0-145.1-123.1 129.5 9.9 -4.7 -4.7 8 10 A D E -A 25 0A 93 17,-3.1 17,-2.8 -2,-0.4 2,-0.8 -0.799 13.7-138.1 -92.8 133.3 12.8 -7.0 -5.3 9 11 A L E +A 24 0A 80 -2,-0.4 15,-0.2 15,-0.2 3,-0.1 -0.858 30.7 171.8 -92.2 104.1 14.1 -8.9 -2.2 10 12 A V E + 0 0 82 13,-2.4 2,-0.3 -2,-0.8 -1,-0.2 0.745 53.5 0.2 -93.9 -27.6 17.8 -8.5 -2.7 11 13 A Q E -A 23 0A 108 12,-0.9 12,-3.4 0, 0.0 2,-0.5 -0.988 65.2-108.0-161.3 155.3 19.3 -9.9 0.6 12 14 A T E -A 22 0A 56 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.734 26.2-177.4 -83.1 124.0 18.5 -11.4 4.1 13 15 A L E - 0 0 71 8,-3.0 2,-0.3 -2,-0.5 9,-0.2 0.799 67.2 -17.5 -91.7 -33.1 19.2 -8.8 6.8 14 16 A G E -A 21 0A 25 7,-1.6 7,-3.0 2,-0.0 -1,-0.4 -0.958 53.3-150.8-170.1 154.1 18.3 -11.2 9.7 15 17 A E E +A 20 0A 145 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.983 34.1 121.0-131.5 142.4 16.5 -14.5 10.6 16 18 A G - 0 0 51 3,-2.7 -2,-0.0 -2,-0.3 4,-0.0 -0.591 69.5 -36.0-160.6-143.3 14.8 -15.5 13.9 17 19 A A S S+ 0 0 109 -2,-0.2 3,-0.1 1,-0.1 -1,-0.0 0.876 128.9 47.2 -67.7 -43.6 11.7 -16.6 15.8 18 20 A Y S S- 0 0 83 1,-0.2 21,-0.8 20,-0.1 2,-0.3 0.873 118.5-101.5 -63.1 -43.0 9.5 -14.5 13.6 19 21 A G E - B 0 38A 29 19,-0.2 -3,-2.7 2,-0.0 2,-0.3 -0.949 61.8 -35.9 142.8-139.2 10.8 -15.4 10.3 20 22 A E E -AB 15 37A 58 17,-1.1 17,-2.8 -2,-0.3 2,-0.5 -0.847 34.0-139.8-127.5 158.7 13.2 -13.2 8.3 21 23 A V E -AB 14 36A 30 -7,-3.0 -8,-3.0 -2,-0.3 -7,-1.6 -0.991 28.3-167.8-115.6 121.2 13.8 -9.6 7.6 22 24 A Q E -AB 12 35A 30 13,-2.9 13,-3.1 -2,-0.5 2,-0.6 -0.892 25.9-119.4-113.0 146.3 14.8 -8.9 4.0 23 25 A L E -AB 11 34A 14 -12,-3.4 -13,-2.4 -2,-0.3 -12,-0.9 -0.754 35.7-163.3 -81.3 117.7 16.2 -5.9 2.2 24 26 A A E -AB 9 33A 0 9,-3.1 9,-2.5 -2,-0.6 2,-0.4 -0.913 6.6-164.3-107.1 134.5 13.6 -4.8 -0.4 25 27 A V E -AB 8 32A 35 -17,-2.8 -17,-3.1 -2,-0.4 7,-0.2 -0.981 24.4-118.8-121.9 125.9 14.4 -2.5 -3.3 26 28 A N E > -A 7 0A 5 5,-2.3 4,-1.5 -2,-0.4 -19,-0.2 -0.451 15.9-137.8 -65.7 129.4 11.7 -0.7 -5.3 27 29 A R T 4 S+ 0 0 124 -21,-2.8 -23,-0.1 -24,-0.3 -1,-0.1 0.806 98.5 26.0 -56.2 -38.0 11.8 -1.7 -9.1 28 30 A V T 4 S+ 0 0 60 -22,-0.4 -1,-0.1 -25,-0.3 -24,-0.1 0.921 133.1 28.0 -94.4 -58.2 11.2 1.9 -10.3 29 31 A T T 4 S- 0 0 69 -25,-0.2 -2,-0.1 2,-0.1 3,-0.1 0.597 88.2-134.2 -85.3 -17.7 12.4 4.3 -7.6 30 32 A E < + 0 0 156 -4,-1.5 2,-0.1 1,-0.2 -3,-0.1 0.601 45.5 162.8 65.8 20.2 15.2 2.1 -6.0 31 33 A E - 0 0 114 -6,-0.1 -5,-2.3 1,-0.1 2,-0.5 -0.444 32.0-137.3 -64.9 132.7 13.9 3.1 -2.5 32 34 A A E +B 25 0A 38 -7,-0.2 45,-0.5 -2,-0.1 2,-0.3 -0.883 30.8 164.0-102.1 128.7 15.2 0.6 0.1 33 35 A V E -BC 24 76A 9 -9,-2.5 -9,-3.1 -2,-0.5 2,-0.5 -0.890 36.6-116.6-131.9 162.9 12.9 -0.7 2.9 34 36 A A E -BC 23 75A 9 41,-3.1 41,-3.4 -2,-0.3 2,-0.6 -0.899 25.1-154.9-102.2 127.7 13.2 -3.7 5.3 35 37 A V E -BC 22 74A 3 -13,-3.1 -13,-2.9 -2,-0.5 2,-0.6 -0.945 0.9-155.4-109.4 120.4 10.4 -6.3 4.9 36 38 A K E -BC 21 73A 11 37,-2.9 37,-3.1 -2,-0.6 2,-0.6 -0.866 9.5-158.2 -94.8 116.0 9.6 -8.4 7.9 37 39 A I E -BC 20 72A 22 -17,-2.8 -17,-1.1 -2,-0.6 2,-0.5 -0.905 12.0-178.2-104.4 110.4 8.1 -11.8 6.8 38 40 A V E -BC 19 71A 21 33,-2.6 33,-2.9 -2,-0.6 2,-0.7 -0.952 14.0-154.7-116.7 110.6 6.0 -13.5 9.5 39 41 A D E C 0 70A 115 -21,-0.8 31,-0.2 -2,-0.5 -2,-0.0 -0.777 360.0 360.0 -88.6 108.3 4.4 -16.9 8.7 40 42 A M 0 0 157 29,-3.0 -1,-0.2 -2,-0.7 30,-0.1 0.906 360.0 360.0 -76.8 360.0 1.3 -17.4 10.9 41 ! 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 42 51 A N > 0 0 183 0, 0.0 4,-1.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -68.1 0.9 -11.6 18.0 43 52 A I H > + 0 0 11 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.818 360.0 64.2 -71.9 -34.1 1.6 -9.9 14.6 44 53 A K H > S+ 0 0 72 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.850 106.5 41.3 -58.8 -41.2 -1.9 -8.3 14.8 45 54 A K H > S+ 0 0 99 2,-0.2 4,-2.5 3,-0.2 -1,-0.2 0.831 112.9 54.5 -75.9 -36.2 -0.8 -6.3 17.9 46 55 A E H X S+ 0 0 15 -4,-1.3 4,-2.4 2,-0.2 -2,-0.2 0.890 112.6 43.1 -63.6 -41.8 2.7 -5.5 16.4 47 56 A I H X S+ 0 0 8 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.906 114.7 50.7 -68.5 -44.9 0.9 -4.0 13.2 48 57 A C H < S+ 0 0 81 -4,-1.7 4,-0.4 -5,-0.2 -2,-0.2 0.851 114.3 43.2 -63.6 -38.2 -1.7 -2.2 15.4 49 58 A I H >X S+ 0 0 4 -4,-2.5 3,-1.6 1,-0.2 4,-0.6 0.943 112.0 54.3 -73.5 -41.9 1.1 -0.7 17.6 50 59 A N H >< S+ 0 0 4 -4,-2.4 3,-1.0 1,-0.3 11,-0.2 0.808 100.5 60.5 -59.2 -34.3 3.2 0.2 14.5 51 60 A K T 3< S+ 0 0 126 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.675 103.0 52.9 -67.3 -18.9 0.2 2.1 12.9 52 61 A M T <4 S+ 0 0 88 -3,-1.6 2,-0.3 -4,-0.4 -1,-0.2 0.625 93.1 99.3 -86.3 -18.8 0.3 4.5 16.0 53 62 A L << + 0 0 18 -3,-1.0 8,-0.4 -4,-0.6 2,-0.2 -0.587 28.8 146.0 -89.0 136.5 4.0 5.3 15.6 54 63 A N + 0 0 134 -2,-0.3 2,-0.3 6,-0.1 5,-0.1 -0.637 26.9 122.3-165.5 93.2 5.7 8.4 14.0 55 64 A H > - 0 0 33 3,-0.4 3,-1.6 -2,-0.2 53,-0.0 -0.962 63.3-120.5-155.0 146.4 9.0 9.6 15.5 56 65 A E T 3 S+ 0 0 128 -2,-0.3 4,-0.1 1,-0.3 52,-0.1 0.581 115.8 47.4 -64.8 -15.6 12.6 10.2 14.2 57 66 A N T 3 S+ 0 0 14 79,-0.1 80,-2.8 50,-0.1 2,-0.4 0.072 100.4 79.5-115.8 22.9 14.0 7.7 16.8 58 67 A V B < S-e 137 0B 2 -3,-1.6 -3,-0.4 78,-0.3 80,-0.2 -0.997 93.8-102.6-129.2 130.6 11.3 5.0 16.1 59 68 A V - 0 0 8 78,-2.8 -6,-0.1 -2,-0.4 -2,-0.1 -0.364 46.3-114.6 -54.8 122.8 11.6 2.6 13.1 60 69 A K - 0 0 103 -2,-0.1 16,-1.8 -4,-0.1 2,-0.5 -0.332 19.3-145.7 -63.4 141.2 9.1 3.8 10.4 61 70 A F E +D 75 0A 36 -8,-0.4 14,-0.2 -11,-0.2 3,-0.1 -0.952 19.4 175.5-110.3 121.6 6.1 1.7 9.5 62 71 A Y E - 0 0 116 12,-3.2 2,-0.3 -2,-0.5 13,-0.2 0.745 55.6 -73.4 -97.0 -30.0 5.1 2.0 5.8 63 72 A G E -D 74 0A 21 11,-1.0 11,-2.9 2,-0.0 -1,-0.4 -0.923 39.9-104.0 157.1-179.3 2.4 -0.6 5.7 64 73 A H E -D 73 0A 72 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.983 16.1-163.6-138.8 148.8 1.5 -4.3 5.7 65 74 A R E -D 72 0A 47 7,-1.7 7,-2.4 -2,-0.3 2,-0.5 -1.000 9.9-151.1-133.1 131.2 0.4 -6.9 3.1 66 75 A R E -D 71 0A 69 -2,-0.4 2,-0.6 5,-0.2 5,-0.2 -0.927 11.6-178.0-107.5 119.9 -1.1 -10.4 3.9 67 76 A E E > -D 70 0A 56 3,-2.8 3,-1.5 -2,-0.5 2,-0.7 -0.876 67.5 -59.3-117.2 89.9 -0.6 -13.2 1.4 68 77 A G T 3 S- 0 0 84 -2,-0.6 -2,-0.0 1,-0.3 0, 0.0 -0.633 120.8 -15.7 77.1-108.8 -2.5 -16.2 2.8 69 78 A N T 3 S+ 0 0 51 -2,-0.7 -29,-3.0 -29,-0.1 2,-0.5 0.307 119.6 95.0-107.4 3.7 -1.1 -17.0 6.3 70 79 A I E < -CD 39 67A 51 -3,-1.5 -3,-2.8 -31,-0.2 2,-0.4 -0.872 60.0-155.4-104.0 126.7 2.1 -14.8 5.7 71 80 A Q E -CD 38 66A 28 -33,-2.9 -33,-2.6 -2,-0.5 2,-0.6 -0.824 2.4-154.7 -99.6 136.8 2.3 -11.2 6.9 72 81 A Y E -CD 37 65A 67 -7,-2.4 -7,-1.7 -2,-0.4 2,-0.6 -0.959 6.4-163.1-114.1 108.3 4.7 -8.7 5.2 73 82 A L E -CD 36 64A 0 -37,-3.1 -37,-2.9 -2,-0.6 2,-0.8 -0.866 8.1-151.2 -96.3 119.2 5.7 -5.8 7.4 74 83 A F E +CD 35 63A 42 -11,-2.9 -12,-3.2 -2,-0.6 -11,-1.0 -0.844 32.4 165.9 -92.8 104.0 7.2 -2.9 5.4 75 84 A L E -CD 34 61A 22 -41,-3.4 -41,-3.1 -2,-0.8 -14,-0.2 -0.755 41.0 -74.3-120.7 165.5 9.6 -1.2 7.8 76 85 A E E -C 33 0A 14 -16,-1.8 2,-0.6 -2,-0.2 -43,-0.2 -0.332 40.0-132.4 -62.3 133.4 12.4 1.3 7.7 77 86 A Y - 0 0 71 -45,-0.5 2,-0.6 -53,-0.1 -45,-0.1 -0.827 19.1-167.8 -87.2 121.1 15.8 0.1 6.3 78 87 A C > - 0 0 10 -2,-0.6 3,-1.7 52,-0.1 51,-0.3 -0.927 3.4-167.8-113.9 95.7 18.5 1.2 8.7 79 88 A S T 3 S+ 0 0 57 -2,-0.6 51,-0.2 1,-0.3 -1,-0.1 0.690 81.0 68.1 -62.6 -21.3 21.8 0.6 6.8 80 89 A G T 3 S- 0 0 20 49,-2.1 -1,-0.3 1,-0.2 50,-0.2 0.562 93.8-152.7 -74.0 -8.4 24.0 1.1 10.0 81 90 A G E < -F 129 0B 29 -3,-1.7 48,-2.4 48,-0.6 -1,-0.2 -0.326 43.9 -9.4 70.0-150.7 22.5 -2.2 11.4 82 91 A E E > -F 128 0B 70 46,-0.2 3,-1.0 1,-0.1 4,-0.3 -0.546 49.9-133.7 -85.1 146.0 22.3 -2.8 15.1 83 92 A L G >> S+ 0 0 0 44,-2.9 3,-2.1 41,-0.9 4,-0.5 0.824 104.3 75.1 -58.1 -33.4 23.8 -0.7 17.9 84 93 A F G >4 S+ 0 0 96 40,-1.4 3,-1.1 43,-0.3 -1,-0.2 0.850 91.9 51.2 -47.9 -43.9 24.9 -4.1 19.3 85 94 A D G <4 S+ 0 0 117 -3,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.540 101.4 61.8 -78.3 -5.3 27.7 -4.4 16.6 86 95 A R G <4 S+ 0 0 91 -3,-2.1 2,-0.6 -4,-0.3 -1,-0.2 0.492 86.0 89.4 -92.3 -8.6 29.0 -0.8 17.5 87 96 A I S << S- 0 0 22 -3,-1.1 6,-0.2 -4,-0.5 105,-0.1 -0.829 75.1-143.6 -91.7 116.6 29.8 -2.1 21.0 88 97 A E B >> -H 92 0C 118 4,-3.1 4,-2.6 -2,-0.6 3,-2.2 -0.722 33.5-100.5 -80.7 124.6 33.3 -3.5 21.1 89 98 A P T 34 S- 0 0 97 0, 0.0 107,-0.2 0, 0.0 106,-0.1 -0.185 100.4 -4.5 -52.3 134.5 33.4 -6.5 23.5 90 99 A D T 34 S+ 0 0 106 105,-3.0 105,-0.2 1,-0.2 106,-0.1 0.421 135.6 60.3 61.3 8.2 34.8 -5.7 27.0 91 100 A I T <4 S- 0 0 104 -3,-2.2 2,-0.5 104,-0.2 104,-0.3 0.691 78.0-163.0-121.3 -54.9 35.6 -2.1 25.8 92 101 A G B < -H 88 0C 1 -4,-2.6 -4,-3.1 102,-0.3 101,-0.2 -0.894 36.2 -68.3 104.9-121.6 32.3 -0.4 24.7 93 102 A M - 0 0 24 99,-1.2 5,-0.1 -2,-0.5 -6,-0.1 -0.940 64.3 -58.8-160.4 166.5 32.6 2.7 22.5 94 103 A P >> - 0 0 78 0, 0.0 4,-1.9 0, 0.0 3,-0.9 -0.309 50.1-123.2 -57.9 135.9 33.8 6.4 22.9 95 104 A E H 3> S+ 0 0 46 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.826 110.2 54.9 -50.7 -39.7 31.8 8.1 25.7 96 105 A P H 3> S+ 0 0 36 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.843 108.5 49.3 -65.8 -32.9 30.6 11.0 23.4 97 106 A D H <> S+ 0 0 57 -3,-0.9 4,-2.3 2,-0.2 -2,-0.2 0.904 112.0 48.2 -67.2 -43.2 29.2 8.4 20.9 98 107 A A H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.891 110.7 51.2 -64.0 -40.9 27.4 6.6 23.8 99 108 A Q H X S+ 0 0 10 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.934 110.7 47.7 -63.0 -48.1 26.0 10.0 25.1 100 109 A R H X S+ 0 0 61 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.897 114.4 46.8 -59.0 -44.3 24.6 10.9 21.6 101 110 A F H X S+ 0 0 6 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.893 112.4 50.4 -65.0 -39.9 23.0 7.4 21.3 102 111 A F H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.867 108.4 52.3 -65.7 -38.8 21.6 7.6 24.9 103 112 A H H X S+ 0 0 57 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.948 113.1 44.6 -59.0 -48.5 20.1 11.1 24.0 104 113 A Q H X S+ 0 0 28 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.866 110.9 53.9 -66.3 -37.3 18.4 9.6 20.9 105 114 A L H X S+ 0 0 1 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.931 109.0 49.0 -62.2 -44.2 17.2 6.6 22.9 106 115 A M H X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 -2,-0.2 0.884 108.6 53.0 -62.6 -41.0 15.6 8.9 25.5 107 116 A A H X S+ 0 0 33 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.907 112.3 45.5 -60.9 -43.3 13.8 10.9 22.8 108 117 A G H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.908 115.5 45.4 -64.0 -46.2 12.4 7.6 21.3 109 118 A V H X S+ 0 0 1 -4,-2.4 4,-3.2 2,-0.2 5,-0.3 0.906 110.9 53.3 -67.4 -44.3 11.3 6.3 24.8 110 119 A V H X S+ 0 0 55 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.908 111.0 48.8 -53.7 -46.3 9.8 9.7 25.8 111 120 A Y H X S+ 0 0 50 -4,-1.9 4,-1.0 -5,-0.2 -2,-0.2 0.942 113.5 44.7 -60.0 -52.6 7.7 9.6 22.6 112 121 A L H ><>S+ 0 0 1 -4,-2.2 5,-3.0 1,-0.2 3,-0.7 0.909 116.1 46.0 -59.5 -47.4 6.5 6.0 23.2 113 122 A H H ><5S+ 0 0 7 -4,-3.2 3,-1.8 1,-0.2 -1,-0.2 0.886 106.9 60.2 -65.1 -36.4 5.7 6.6 26.8 114 123 A G H 3<5S+ 0 0 58 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.747 108.6 43.0 -61.7 -26.9 3.9 9.9 25.9 115 124 A I T <<5S- 0 0 58 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.223 124.5-103.1-103.1 13.1 1.5 7.9 23.6 116 125 A G T < 5S+ 0 0 0 -3,-1.8 30,-2.6 1,-0.2 31,-1.1 0.704 77.4 135.0 74.0 25.6 1.0 5.2 26.3 117 126 A I E < -I 145 0D 0 -5,-3.0 2,-0.4 28,-0.2 -1,-0.2 -0.902 37.0-164.8-107.6 132.7 3.3 2.5 24.6 118 127 A T E -I 144 0D 1 26,-2.5 26,-1.8 -2,-0.4 60,-0.1 -0.964 9.6-158.0-112.8 127.9 5.9 0.4 26.4 119 128 A H - 0 0 2 -2,-0.4 23,-0.2 24,-0.2 -1,-0.1 0.907 16.6-166.6 -68.1 -44.5 8.5 -1.4 24.1 120 129 A R S S+ 0 0 25 57,-0.1 41,-0.1 23,-0.1 -1,-0.1 0.406 71.2 62.3 71.1 4.7 9.3 -4.0 26.9 121 130 A D + 0 0 20 39,-0.1 2,-0.5 18,-0.1 5,-0.1 -0.129 61.6 163.5-149.7 45.1 12.4 -5.3 25.2 122 131 A I + 0 0 1 42,-0.1 39,-0.1 3,-0.1 66,-0.1 -0.586 20.4 132.2 -71.5 121.6 14.9 -2.5 24.9 123 132 A K S > S- 0 0 37 -2,-0.5 3,-1.9 64,-0.1 -40,-0.1 -0.929 71.3 -95.2-160.7 162.3 18.4 -3.9 24.1 124 133 A P G > S+ 0 0 0 0, 0.0 -40,-1.4 0, 0.0 3,-1.1 0.760 121.7 62.8 -63.5 -21.2 21.2 -3.0 21.6 125 134 A E G 3 S+ 0 0 54 1,-0.2 -3,-0.1 -42,-0.2 -40,-0.0 0.679 105.9 47.1 -70.6 -19.4 19.8 -5.7 19.1 126 135 A N G < S+ 0 0 15 -3,-1.9 12,-3.0 -5,-0.1 2,-0.5 0.098 95.4 84.0-110.2 20.7 16.6 -3.6 19.0 127 136 A L E < - G 0 137B 0 -3,-1.1 -44,-2.9 10,-0.2 -43,-0.3 -0.979 65.6-168.1-125.8 106.8 18.2 -0.3 18.4 128 137 A L E -FG 82 136B 32 8,-2.9 8,-2.6 -2,-0.5 2,-0.4 -0.694 11.4-141.2-103.8 154.2 19.0 0.3 14.8 129 138 A L E -FG 81 135B 0 -48,-2.4 -49,-2.1 -51,-0.3 -48,-0.6 -0.953 9.0-147.4-116.7 131.8 21.2 2.9 13.1 130 139 A D > - 0 0 14 4,-1.9 3,-1.9 -2,-0.4 -52,-0.1 -0.167 47.7 -80.0 -81.4-172.7 20.5 4.7 9.8 131 140 A E T 3 S+ 0 0 142 1,-0.3 -1,-0.1 2,-0.1 -53,-0.1 0.743 134.9 50.4 -61.1 -25.0 23.2 5.9 7.3 132 141 A R T 3 S- 0 0 154 2,-0.1 -1,-0.3 132,-0.0 132,-0.1 0.201 121.6-107.0 -97.9 13.4 23.8 9.0 9.5 133 142 A D < + 0 0 58 -3,-1.9 2,-0.4 1,-0.2 -2,-0.1 0.762 65.5 157.7 63.2 30.0 24.2 6.8 12.7 134 143 A N - 0 0 51 1,-0.0 -4,-1.9 -30,-0.0 2,-0.3 -0.737 41.1-123.6 -84.4 129.6 20.7 8.0 14.0 135 144 A L E - G 0 129B 1 -2,-0.4 2,-0.4 -6,-0.2 -6,-0.2 -0.585 27.4-172.4 -79.0 137.3 19.2 5.6 16.5 136 145 A K E - G 0 128B 15 -8,-2.6 -8,-2.9 -2,-0.3 -78,-0.3 -0.995 24.9-126.1-133.0 125.7 15.8 4.0 15.9 137 146 A I E -eG 58 127B 0 -80,-2.8 -78,-2.8 -2,-0.4 2,-0.3 -0.523 39.3-163.0 -69.7 128.1 13.8 1.9 18.3 138 147 A S + 0 0 22 -12,-3.0 -1,-0.0 -2,-0.3 -78,-0.0 -0.846 40.0 28.2-123.3 155.0 12.9 -1.4 16.5 139 148 A D - 0 0 51 -2,-0.3 3,-0.4 1,-0.1 -1,-0.2 0.962 41.1-168.3 65.6 104.6 10.6 -4.4 16.8 140 149 A F > + 0 0 3 1,-0.2 3,-0.7 2,-0.1 -91,-0.1 0.085 54.1 115.6-106.9 24.9 7.2 -3.8 18.6 141 150 A G T 3 S+ 0 0 33 1,-0.2 -1,-0.2 -92,-0.0 -95,-0.1 0.733 86.3 34.6 -63.4 -27.4 6.4 -7.6 18.8 142 151 A L T 3 S+ 0 0 61 -3,-0.4 -1,-0.2 -23,-0.2 -2,-0.1 0.398 96.2 116.4-107.9 0.7 6.5 -7.4 22.7 143 152 A A < + 0 0 1 -3,-0.7 2,-0.3 -22,-0.1 -24,-0.2 -0.278 39.1 178.8 -71.0 152.8 5.1 -3.9 23.0 144 153 A T E -I 118 0D 3 -26,-1.8 -26,-2.5 -95,-0.0 2,-0.5 -0.963 35.0-100.4-149.8 164.9 1.8 -3.1 24.7 145 154 A V E +I 117 0D 39 -2,-0.3 -28,-0.2 -28,-0.2 3,-0.1 -0.786 34.7 171.6 -87.1 120.2 -0.5 -0.1 25.7 146 155 A F + 0 0 1 -30,-2.6 7,-3.3 -2,-0.5 2,-0.4 0.460 68.1 45.9-107.5 -9.7 -0.0 0.8 29.4 147 156 A R E +J 152 0E 69 -31,-1.1 2,-0.3 5,-0.2 -1,-0.2 -0.979 62.1 164.9-137.8 124.9 -2.1 4.0 29.3 148 157 A Y E > S+J 151 0E 166 3,-2.2 3,-1.8 -2,-0.4 -32,-0.1 -0.996 72.7 0.8-142.9 131.1 -5.6 4.3 27.7 149 158 A N T 3 S- 0 0 143 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.861 130.0 -62.6 54.9 39.7 -8.2 7.1 28.2 150 159 A N T 3 S+ 0 0 147 1,-0.2 2,-0.5 -3,-0.0 -1,-0.3 0.639 112.4 124.6 59.0 23.1 -5.6 8.7 30.6 151 160 A R E < -J 148 0E 195 -3,-1.8 -3,-2.2 2,-0.0 2,-0.3 -0.951 57.9-136.1-114.2 121.5 -5.9 5.5 32.8 152 161 A E E -J 147 0E 76 -2,-0.5 2,-0.5 -5,-0.2 -5,-0.2 -0.592 11.9-153.5 -77.9 134.2 -2.7 3.6 33.6 153 162 A R - 0 0 113 -7,-3.3 24,-0.3 -2,-0.3 2,-0.2 -0.945 14.3-133.8-107.5 123.9 -2.8 -0.2 33.5 154 163 A L - 0 0 65 -2,-0.5 2,-0.2 22,-0.1 22,-0.2 -0.536 23.0-130.6 -75.5 143.9 -0.3 -2.1 35.7 155 164 A L B +K 175 0F 5 20,-2.5 20,-1.9 -2,-0.2 -1,-0.1 -0.632 34.1 166.1 -98.4 157.3 1.5 -4.9 34.0 156 165 A N + 0 0 98 -2,-0.2 2,-0.2 18,-0.2 -1,-0.1 0.386 42.5 114.7-138.3 -15.9 2.0 -8.5 35.1 157 166 A K - 0 0 116 1,-0.1 2,-0.7 0, 0.0 -2,-0.0 -0.457 63.3-132.1 -68.7 131.8 3.2 -10.3 31.9 158 167 A M + 0 0 125 -2,-0.2 2,-0.3 12,-0.0 -1,-0.1 -0.797 50.6 132.3 -84.6 109.8 6.8 -11.6 32.1 159 168 A C + 0 0 22 -2,-0.7 2,-0.3 -39,-0.1 -39,-0.1 -0.970 18.4 64.9-157.7 167.5 8.7 -10.5 29.0 160 169 A G S S- 0 0 27 -2,-0.3 2,-0.4 -39,-0.1 -39,-0.1 -0.846 87.3 -52.9 117.5-151.1 11.9 -9.0 27.7 161 170 A T >> - 0 0 36 -2,-0.3 3,-2.2 -39,-0.1 4,-0.7 -0.998 48.3-124.8-131.4 120.3 15.5 -10.4 27.9 162 171 A L G >4 S+ 0 0 84 -2,-0.4 3,-0.9 1,-0.3 -1,-0.1 0.726 106.1 51.9 -40.4 -50.1 16.8 -11.4 31.3 163 172 A P G 34 S+ 0 0 27 0, 0.0 -1,-0.3 0, 0.0 36,-0.2 0.787 118.8 40.5 -64.0 -19.3 20.1 -9.3 31.4 164 173 A Y G <4 S+ 0 0 11 -3,-2.2 -2,-0.2 36,-0.1 23,-0.2 0.466 91.5 109.6-101.9 -8.4 18.0 -6.2 30.6 165 174 A V S << S- 0 0 8 -3,-0.9 -5,-0.1 -4,-0.7 16,-0.1 -0.479 71.1-115.0 -78.4 147.2 14.8 -6.8 32.7 166 175 A A >> - 0 0 0 -2,-0.2 3,-1.0 1,-0.1 4,-0.6 -0.409 24.4-119.4 -72.4 147.1 14.0 -4.7 35.8 167 176 A P H >> S+ 0 0 6 0, 0.0 4,-1.6 0, 0.0 3,-0.9 0.804 109.8 64.5 -62.6 -29.1 14.2 -6.6 39.2 168 177 A E H 3> S+ 0 0 6 1,-0.2 4,-2.9 2,-0.2 72,-0.0 0.802 93.9 62.1 -63.8 -28.6 10.4 -5.9 40.0 169 178 A L H <4 S+ 0 0 12 -3,-1.0 -1,-0.2 1,-0.2 6,-0.0 0.819 111.9 38.1 -64.5 -31.6 9.5 -8.0 36.9 170 179 A L H << S+ 0 0 59 -3,-0.9 -2,-0.2 -4,-0.6 -1,-0.2 0.722 126.5 34.6 -89.5 -26.4 11.1 -11.0 38.7 171 180 A K H < S+ 0 0 72 -4,-1.6 2,-0.3 1,-0.1 -2,-0.2 0.747 109.1 60.3-101.1 -27.5 10.0 -10.2 42.3 172 181 A R < - 0 0 172 -4,-2.9 3,-0.1 -5,-0.2 -1,-0.1 -0.821 62.4-142.6-113.5 149.0 6.5 -8.6 42.0 173 182 A R S S+ 0 0 189 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.926 94.2 22.3 -67.3 -47.1 3.1 -9.8 40.6 174 183 A E + 0 0 79 -18,-0.0 2,-0.3 -20,-0.0 -18,-0.2 -0.903 69.8 169.9-125.0 153.3 2.4 -6.3 39.2 175 184 A F B -K 155 0F 14 -20,-1.9 -20,-2.5 -2,-0.3 2,-0.2 -0.983 38.6 -95.2-158.5 154.3 4.6 -3.4 38.3 176 185 A H > - 0 0 83 -2,-0.3 4,-0.6 -22,-0.2 -22,-0.1 -0.543 30.3-138.6 -74.3 139.1 4.5 0.1 36.5 177 186 A A H > S+ 0 0 0 -24,-0.3 4,-1.2 -2,-0.2 3,-0.5 0.862 92.0 58.6 -65.9 -46.2 5.5 -0.1 32.8 178 187 A E H > S+ 0 0 64 1,-0.2 4,-1.8 2,-0.2 3,-0.5 0.907 100.7 51.8 -61.2 -49.0 7.6 3.1 32.5 179 188 A P H > S+ 0 0 25 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.780 105.5 59.6 -60.6 -24.3 10.4 2.3 35.2 180 189 A V H X S+ 0 0 16 -4,-0.6 4,-1.8 -3,-0.5 -2,-0.2 0.907 107.5 43.2 -67.1 -45.8 10.9 -1.1 33.4 181 190 A D H X S+ 0 0 0 -4,-1.2 4,-1.8 -3,-0.5 -1,-0.2 0.821 111.7 55.6 -68.1 -33.1 11.9 0.6 30.1 182 191 A V H X S+ 0 0 5 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.940 107.8 49.2 -62.1 -48.3 14.1 3.1 32.1 183 192 A W H X S+ 0 0 0 -4,-2.0 4,-1.6 2,-0.2 3,-0.3 0.900 109.6 49.8 -56.0 -52.3 16.0 0.2 33.7 184 193 A S H X S+ 0 0 7 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.880 108.0 54.9 -60.1 -34.6 16.7 -1.5 30.3 185 194 A C H X S+ 0 0 1 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.861 106.4 52.5 -64.6 -36.5 17.9 1.9 28.9 186 195 A G H X S+ 0 0 0 -4,-1.5 4,-2.0 -3,-0.3 -1,-0.2 0.838 108.8 48.3 -66.3 -35.8 20.4 1.9 31.9 187 196 A I H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.900 110.8 51.6 -72.5 -38.6 21.6 -1.6 31.0 188 197 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.939 110.4 48.7 -60.1 -46.8 22.0 -0.4 27.3 189 198 A L H X S+ 0 0 0 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.895 110.5 51.5 -60.6 -41.1 24.1 2.6 28.7 190 199 A T H X S+ 0 0 0 -4,-2.0 4,-1.3 2,-0.2 3,-0.3 0.934 111.0 47.6 -58.7 -49.5 26.2 0.2 30.8 191 200 A A H X S+ 0 0 6 -4,-2.5 4,-2.6 1,-0.2 3,-0.4 0.893 110.2 52.0 -60.2 -45.9 26.9 -2.0 27.6 192 201 A M H < S+ 0 0 1 -4,-2.5 -99,-1.2 1,-0.2 -1,-0.2 0.801 116.8 39.7 -60.9 -33.7 27.8 1.0 25.5 193 202 A L H < S+ 0 0 15 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.583 132.0 20.9 -94.9 -12.8 30.4 2.3 28.1 194 203 A A H < S- 0 0 0 -4,-1.3 -102,-0.3 -3,-0.4 -3,-0.2 0.471 89.4-128.0-132.7 -8.7 31.9 -1.1 29.2 195 204 A G S < S+ 0 0 10 -4,-2.6 -105,-3.0 -5,-0.3 2,-0.3 0.751 80.6 83.0 62.7 25.1 31.2 -3.6 26.4 196 205 A E S S- 0 0 53 -6,-0.3 -2,-0.2 -107,-0.2 -1,-0.2 -0.986 79.1-115.3-154.1 155.3 29.8 -6.1 28.9 197 206 A L - 0 0 65 -2,-0.3 3,-0.1 1,-0.1 -33,-0.1 -0.766 22.8-139.0 -92.2 135.9 26.5 -6.8 30.7 198 207 A P S S- 0 0 7 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.846 75.9 -0.2 -69.0 -32.7 26.7 -6.5 34.5 199 208 A W - 0 0 6 -36,-0.2 7,-0.0 9,-0.1 8,-0.0 -0.975 59.5-120.4-152.1 162.5 24.6 -9.6 35.4 200 209 A D S S- 0 0 123 1,-0.3 -36,-0.1 -2,-0.3 -1,-0.1 0.791 101.3 -15.0 -72.0 -30.4 22.7 -12.5 33.9 201 210 A Q S S- 0 0 61 -38,-0.1 2,-1.7 2,-0.1 -1,-0.3 -0.923 73.2-104.6-168.6 150.0 19.5 -11.3 35.7 202 211 A P S S+ 0 0 3 0, 0.0 2,-0.3 0, 0.0 -32,-0.2 -0.487 72.0 125.8 -88.8 74.0 18.8 -8.7 38.5 203 212 A S S > S- 0 0 21 -2,-1.7 3,-1.9 1,-0.1 7,-0.2 -0.905 72.2-116.2-126.2 154.9 18.1 -11.2 41.4 204 213 A D T 3 S+ 0 0 115 -2,-0.3 6,-0.2 1,-0.3 -1,-0.1 0.788 115.9 61.6 -57.3 -31.9 19.5 -11.7 44.9 205 214 A S T 3 S+ 0 0 108 4,-0.1 2,-0.7 1,-0.1 -1,-0.3 0.621 86.2 88.6 -69.1 -16.9 20.8 -15.1 43.8 206 215 A C X> - 0 0 11 -3,-1.9 4,-1.9 1,-0.1 3,-0.6 -0.804 68.4-156.2 -92.1 107.7 23.0 -13.3 41.2 207 216 A Q H 3> S+ 0 0 116 -2,-0.7 4,-2.4 1,-0.2 -1,-0.1 0.820 91.7 53.0 -49.5 -46.6 26.4 -12.4 42.8 208 217 A E H 3> S+ 0 0 95 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.861 109.5 49.6 -63.1 -36.1 27.2 -9.5 40.4 209 218 A Y H <> S+ 0 0 1 -3,-0.6 4,-2.0 -6,-0.2 -2,-0.2 0.908 110.4 50.5 -68.8 -40.9 23.7 -7.9 41.1 210 219 A S H X S+ 0 0 25 -4,-1.9 4,-1.5 -7,-0.2 -2,-0.2 0.903 108.4 52.7 -60.7 -44.4 24.4 -8.3 44.9 211 220 A D H <>S+ 0 0 26 -4,-2.4 5,-2.5 2,-0.2 -1,-0.2 0.878 108.2 50.5 -58.3 -43.5 27.9 -6.5 44.5 212 221 A W H ><5S+ 0 0 11 -4,-1.7 3,-1.7 1,-0.2 -1,-0.2 0.908 109.6 49.9 -62.0 -44.8 26.2 -3.6 42.7 213 222 A K H 3<5S+ 0 0 71 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.793 109.6 51.9 -65.1 -26.5 23.6 -3.2 45.5 214 223 A E T 3<5S- 0 0 119 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.263 118.3-119.5 -90.7 9.0 26.6 -3.3 48.0 215 224 A K T < 5 + 0 0 148 -3,-1.7 2,-1.8 1,-0.2 -3,-0.2 0.790 53.9 161.5 55.9 41.4 28.2 -0.4 45.8 216 225 A K > < + 0 0 55 -5,-2.5 3,-1.3 1,-0.2 -1,-0.2 -0.489 6.6 155.2 -87.0 66.7 31.3 -2.5 44.8 217 226 A T T 3 + 0 0 42 -2,-1.8 -1,-0.2 1,-0.3 -5,-0.1 0.428 56.3 80.1 -79.6 3.3 32.0 -0.2 41.8 218 227 A Y T 3 S+ 0 0 153 -3,-0.1 -1,-0.3 4,-0.1 2,-0.2 0.478 86.2 77.2 -84.0 -7.5 35.8 -1.1 42.0 219 228 A L S <> S- 0 0 58 -3,-1.3 4,-1.7 1,-0.1 3,-0.2 -0.527 93.4 -51.9 -96.0 166.3 34.7 -4.3 40.1 220 229 A N T 4 S+ 0 0 81 1,-0.3 -1,-0.1 2,-0.2 -2,-0.1 -0.549 114.5 18.9 -76.7 144.9 33.9 -4.8 36.3 221 230 A P T >4 S+ 0 0 2 0, 0.0 3,-1.7 0, 0.0 -1,-0.3 -0.999 124.5 52.4 -87.5 -12.6 32.0 -3.3 34.5 222 231 A W G >4 S+ 0 0 8 1,-0.3 3,-1.4 -3,-0.2 -2,-0.2 0.739 99.3 63.5 -56.7 -34.3 31.7 -0.2 36.7 223 232 A K G 3< S+ 0 0 129 -4,-1.7 -1,-0.3 1,-0.3 -3,-0.1 0.703 99.9 55.1 -68.7 -18.7 35.5 0.4 37.1 224 233 A K G < S+ 0 0 78 -3,-1.7 2,-0.4 -5,-0.2 -1,-0.3 0.484 95.0 86.3 -86.2 -9.4 35.6 1.0 33.2 225 234 A I S < S- 0 0 12 -3,-1.4 -31,-0.1 -4,-0.2 -35,-0.0 -0.821 83.6-117.3-101.9 133.0 33.0 3.8 33.5 226 235 A D > - 0 0 75 -2,-0.4 4,-2.1 1,-0.1 5,-0.2 -0.310 30.3-112.0 -63.9 150.1 33.8 7.4 34.3 227 236 A S H > S+ 0 0 83 2,-0.2 4,-1.9 1,-0.2 -1,-0.1 0.726 111.4 58.7 -59.9 -29.5 32.3 8.7 37.6 228 237 A A H > S+ 0 0 5 2,-0.2 4,-1.1 1,-0.2 27,-0.3 0.986 113.9 34.2 -71.2 -54.2 29.8 11.2 35.8 229 238 A P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 -2,-0.2 0.855 117.0 58.5 -66.7 -27.5 27.9 8.6 33.6 230 239 A L H X S+ 0 0 19 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.881 101.1 54.0 -65.1 -37.4 28.4 6.1 36.6 231 240 A A H X S+ 0 0 48 -4,-1.9 4,-0.6 -3,-0.3 -1,-0.2 0.820 109.3 49.1 -65.5 -32.0 26.5 8.5 38.9 232 241 A L H >X S+ 0 0 0 -4,-1.1 4,-1.6 2,-0.2 3,-1.4 0.942 109.1 51.3 -69.8 -47.9 23.6 8.5 36.3 233 242 A L H 3X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.3 -2,-0.2 0.859 103.8 59.5 -57.5 -34.6 23.7 4.6 36.3 234 243 A H H 3< S+ 0 0 70 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.771 109.3 43.9 -63.9 -28.0 23.5 4.8 40.2 235 244 A K H << S+ 0 0 83 -3,-1.4 10,-2.0 -4,-0.6 3,-0.3 0.739 118.2 42.8 -88.7 -26.7 20.2 6.6 39.7 236 245 A I H < S+ 0 0 0 -4,-1.6 2,-1.6 1,-0.2 -2,-0.2 0.902 106.7 58.1 -82.5 -49.7 18.8 4.3 36.9 237 246 A L S < S+ 0 0 5 -4,-2.9 2,-0.4 -5,-0.2 -1,-0.2 -0.288 73.8 140.4 -85.2 53.7 19.8 0.9 38.3 238 247 A V - 0 0 42 -2,-1.6 6,-0.2 -3,-0.3 -55,-0.1 -0.851 51.1-140.8 -95.7 126.0 17.8 1.4 41.6 239 248 A E S S+ 0 0 83 -2,-0.4 -71,-0.2 -72,-0.1 -1,-0.1 0.861 87.9 71.7 -54.7 -47.0 16.0 -1.8 42.8 240 249 A N S >> S- 0 0 86 1,-0.2 4,-1.3 -73,-0.1 3,-0.9 -0.663 70.7-158.5 -75.3 112.6 12.9 0.0 44.0 241 250 A P T 34 S+ 0 0 31 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.765 92.0 58.6 -65.4 -22.0 11.0 1.2 40.8 242 251 A S T 34 S+ 0 0 105 1,-0.2 -2,-0.0 -3,-0.0 -3,-0.0 0.758 112.6 39.3 -75.6 -24.2 9.2 3.9 42.9 243 252 A A T <4 S+ 0 0 66 -3,-0.9 -1,-0.2 2,-0.1 3,-0.1 0.586 93.0 111.1 -98.7 -14.5 12.6 5.4 43.9 244 253 A R S < S- 0 0 9 -4,-1.3 -8,-0.2 -6,-0.2 -9,-0.1 -0.292 80.9 -96.3 -61.4 141.5 14.2 4.9 40.4 245 254 A I - 0 0 21 -10,-2.0 2,-0.2 -13,-0.1 -1,-0.1 -0.276 37.2-135.5 -59.1 143.6 14.9 8.1 38.4 246 255 A T > - 0 0 73 -3,-0.1 4,-1.7 1,-0.1 3,-0.3 -0.527 25.3-105.5 -93.9 166.4 12.2 9.1 35.8 247 256 A I H > S+ 0 0 14 2,-0.2 4,-2.0 1,-0.2 3,-0.3 0.937 119.5 58.2 -64.2 -42.8 13.1 10.3 32.2 248 257 A P H 4 S+ 0 0 85 0, 0.0 -1,-0.2 0, 0.0 4,-0.2 0.857 112.0 42.8 -52.9 -35.3 12.3 14.0 33.1 249 258 A D H >4 S+ 0 0 71 -3,-0.3 3,-1.0 2,-0.2 4,-0.4 0.788 106.2 60.2 -81.7 -26.8 15.0 13.8 35.8 250 259 A I H >< S+ 0 0 0 -4,-1.7 3,-1.3 -3,-0.3 6,-0.2 0.889 101.6 56.3 -62.8 -37.2 17.4 11.8 33.5 251 260 A K T 3< S+ 0 0 88 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.612 105.9 51.0 -68.8 -14.1 17.3 14.9 31.2 252 261 A K T < S+ 0 0 155 -3,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.440 84.6 120.6-100.0 -6.1 18.4 17.0 34.3 253 262 A D <> - 0 0 7 -3,-1.3 4,-1.4 -4,-0.4 5,-0.1 -0.307 68.3-128.6 -64.6 143.7 21.4 14.7 35.0 254 263 A R T 4 S+ 0 0 177 2,-0.2 4,-0.2 1,-0.2 3,-0.1 0.896 107.9 43.3 -61.0 -49.1 24.9 16.3 34.9 255 264 A W T >4 S+ 0 0 1 -27,-0.3 3,-1.7 1,-0.2 -1,-0.2 0.903 108.8 58.8 -65.5 -41.9 26.5 13.8 32.5 256 265 A Y T 34 S+ 0 0 23 1,-0.3 -1,-0.2 -6,-0.2 -2,-0.2 0.856 114.7 37.9 -52.6 -36.5 23.4 13.7 30.3 257 266 A N T 3< S+ 0 0 98 -4,-1.4 -1,-0.3 -3,-0.1 -2,-0.2 0.315 89.0 122.8 -99.8 9.0 23.9 17.5 29.8 258 267 A K < - 0 0 73 -3,-1.7 2,-0.3 -4,-0.2 -3,-0.1 -0.570 67.0-123.8 -76.3 122.3 27.8 17.4 29.7 259 268 A P + 0 0 123 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.510 58.9 134.3 -67.2 121.5 29.2 18.8 26.4 260 269 A L + 0 0 56 -2,-0.3 2,-0.4 1,-0.2 -163,-0.1 0.539 45.8 64.2-136.3 -39.0 31.3 16.0 24.9 261 270 A K - 0 0 91 -165,-0.2 -1,-0.2 -166,-0.1 2,-0.1 -0.869 61.7-139.2-113.3 137.9 30.7 15.5 21.2 262 271 A K - 0 0 188 -2,-0.4 3,-0.1 1,-0.1 -2,-0.0 -0.457 37.2-102.7 -77.2 152.9 31.2 17.7 18.2 263 272 A G - 0 0 69 1,-0.2 -1,-0.1 -2,-0.1 3,-0.1 -0.216 61.3 -63.0 -68.0 167.8 28.5 17.7 15.5 264 273 A A - 0 0 71 1,-0.1 -1,-0.2 -132,-0.1 2,-0.1 -0.326 65.2-102.7 -55.5 130.5 29.1 15.7 12.3 265 274 A K - 0 0 105 -3,-0.1 -1,-0.1 1,-0.0 3,-0.0 -0.451 39.4-155.7 -60.0 121.7 32.2 17.1 10.5 266 275 A R - 0 0 79 -2,-0.1 2,-0.1 -3,-0.1 -1,-0.0 -0.730 32.6 -86.4 -96.5 149.1 30.8 19.1 7.6 267 276 A P + 0 0 140 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.401 55.3 174.7 -65.0 137.1 33.1 19.7 4.6 268 277 A R - 0 0 101 -2,-0.1 2,-0.3 -3,-0.0 -3,-0.0 -0.961 17.2-161.8-140.2 156.4 35.5 22.7 4.9 269 278 A V - 0 0 144 -2,-0.3 2,-0.3 2,-0.0 0, 0.0 -0.944 15.8-130.2-138.3 155.1 38.4 24.3 3.0 270 279 A T 0 0 132 -2,-0.3 -2,-0.0 0, 0.0 0, 0.0 -0.766 360.0 360.0-113.1 159.7 41.2 26.8 4.0 271 280 A S 0 0 180 -2,-0.3 -2,-0.0 0, 0.0 0, 0.0 -0.795 360.0 360.0 86.6 360.0 42.6 30.2 2.6