==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 03-MAR-10 2X7P . COMPND 2 MOLECULE: POSSIBLE THIAMINE BIOSYNTHESIS ENZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: CANDIDA ALBICANS; . AUTHOR S.SANTINI,V.MONCHOIS,N.MOUZ,T.ROUSSELLE,J.M.CLAVERIE,C.ABERG . 306 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14241.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 225 73.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 23 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 32.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 3.3 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 2 0 1 0 3 4 0 2 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 3 0 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 PARALLEL BRIDGES PER LADDER . 1 0 0 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 . 0 0 0 1 0 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 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 1 A L 0 0 102 0, 0.0 31,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 139.1 -5.2 -5.8 27.8 2 2 A P - 0 0 59 0, 0.0 30,-0.4 0, 0.0 2,-0.2 -0.134 360.0 -93.3 -54.8 148.5 -5.6 -3.4 30.8 3 3 A T - 0 0 69 28,-0.1 2,-0.5 30,-0.1 30,-0.2 -0.456 40.1-149.5 -66.5 132.0 -3.7 -0.1 30.8 4 4 A L B -a 33 0A 0 28,-1.6 30,-2.7 -2,-0.2 2,-0.8 -0.922 7.2-158.9-110.0 122.9 -0.3 -0.4 32.5 5 5 A K - 0 0 68 -2,-0.5 50,-2.2 28,-0.2 51,-1.9 -0.876 14.8-163.6 -98.1 109.5 1.2 2.6 34.4 6 6 A V E -b 56 0B 0 -2,-0.8 30,-3.0 28,-0.5 2,-0.7 -0.842 6.9-154.9-102.2 115.6 4.9 2.0 34.6 7 7 A A E +bc 57 36B 0 49,-3.1 51,-1.8 -2,-0.6 2,-0.2 -0.785 26.6 168.0 -89.3 114.0 6.9 4.0 37.1 8 8 A Y E - c 0 37B 54 28,-1.3 30,-2.2 -2,-0.7 33,-0.1 -0.691 35.5-113.1-120.3 173.2 10.5 4.2 36.1 9 9 A I - 0 0 19 49,-0.4 2,-2.5 -2,-0.2 5,-0.2 -0.948 27.8-123.5-112.9 122.8 13.6 6.2 37.0 10 10 A P + 0 0 38 0, 0.0 2,-0.2 0, 0.0 27,-0.0 -0.356 69.1 119.3 -65.1 74.6 15.1 8.7 34.5 11 11 A E S > S- 0 0 47 -2,-2.5 3,-1.6 224,-0.1 4,-0.1 -0.762 84.1 -94.4-129.8 175.3 18.6 7.1 34.4 12 12 A H G > S+ 0 0 4 1,-0.3 3,-1.5 -2,-0.2 219,-0.1 0.791 121.7 67.2 -59.9 -27.1 20.9 5.5 31.9 13 13 A F G 3 S+ 0 0 10 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.705 89.8 62.9 -66.7 -20.5 19.4 2.2 33.2 14 14 A S G <> S+ 0 0 7 -3,-1.6 4,-1.5 -5,-0.2 3,-0.3 0.357 72.9 103.3 -87.4 6.2 16.1 3.1 31.7 15 15 A T H <> S+ 0 0 0 -3,-1.5 4,-2.1 1,-0.2 3,-0.5 0.915 76.4 51.5 -55.4 -50.4 17.6 3.1 28.2 16 16 A P H > S+ 0 0 0 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.860 106.5 56.1 -56.7 -36.1 16.1 -0.3 27.2 17 17 A L H > S+ 0 0 7 -3,-0.3 4,-0.9 -4,-0.2 -2,-0.2 0.868 107.7 49.3 -62.9 -37.4 12.7 0.9 28.3 18 18 A F H >X S+ 0 0 57 -4,-1.5 4,-2.5 -3,-0.5 3,-0.8 0.941 109.6 48.8 -66.9 -49.9 13.1 3.9 25.9 19 19 A F H 3X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.3 6,-0.2 0.818 104.2 61.1 -62.0 -31.7 14.1 1.8 22.9 20 20 A A H 3<>S+ 0 0 0 -4,-1.8 5,-2.7 -5,-0.2 6,-0.9 0.849 110.7 41.0 -62.7 -33.8 11.2 -0.6 23.5 21 21 A Q H X<5S+ 0 0 108 -4,-0.9 3,-0.7 -3,-0.8 -2,-0.2 0.872 112.4 54.4 -78.6 -40.9 8.9 2.4 22.9 22 22 A Q H 3<5S+ 0 0 90 -4,-2.5 -2,-0.2 1,-0.3 -3,-0.2 0.890 114.2 40.6 -59.9 -41.6 11.0 3.8 20.0 23 23 A Q T 3<5S- 0 0 78 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.446 113.1-121.0 -88.3 -1.6 10.7 0.4 18.2 24 24 A G T <>5 + 0 0 27 -3,-0.7 4,-1.4 -5,-0.2 -3,-0.2 0.819 62.0 147.1 67.4 33.6 7.1 0.1 19.2 25 25 A Y H >< + 0 0 48 -5,-2.7 4,-1.4 -6,-0.2 -4,-0.2 0.850 69.5 55.6 -66.6 -35.0 7.6 -3.2 21.0 26 26 A Y H >4>S+ 0 0 4 -6,-0.9 5,-1.4 1,-0.2 3,-0.6 0.954 109.2 43.9 -62.5 -52.1 4.9 -2.3 23.6 27 27 A K H >45S+ 0 0 121 1,-0.2 3,-1.4 3,-0.2 -1,-0.2 0.793 108.5 61.0 -64.5 -27.8 2.2 -1.7 20.9 28 28 A A H 3<5S+ 0 0 69 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.844 104.0 48.4 -66.1 -34.6 3.4 -4.9 19.3 29 29 A H T <<5S- 0 0 36 -4,-1.4 -1,-0.3 -3,-0.6 -2,-0.2 0.129 124.4-107.8 -89.8 19.5 2.5 -6.8 22.4 30 30 A D T < 5 + 0 0 122 -3,-1.4 2,-0.4 1,-0.2 -3,-0.2 0.948 69.4 152.4 53.3 55.5 -0.9 -5.0 22.4 31 31 A L < - 0 0 10 -5,-1.4 2,-0.6 177,-0.1 -1,-0.2 -0.910 43.4-156.4-119.9 144.3 0.0 -2.8 25.4 32 32 A S - 0 0 58 -30,-0.4 -28,-1.6 -2,-0.4 2,-0.4 -0.818 27.7-175.2-115.4 88.7 -1.1 0.6 26.4 33 33 A I B -a 4 0A 21 -2,-0.6 2,-0.6 -30,-0.2 -28,-0.2 -0.704 18.4-169.5 -94.4 132.5 1.7 1.9 28.6 34 34 A E - 0 0 100 -30,-2.7 -28,-0.5 -2,-0.4 2,-0.1 -0.858 19.0-150.8-117.8 94.3 1.7 5.2 30.5 35 35 A F - 0 0 51 -2,-0.6 2,-0.6 -30,-0.2 -28,-0.2 -0.394 4.4-156.9 -68.2 136.4 5.2 5.8 31.8 36 36 A V E -c 7 0B 38 -30,-3.0 -28,-1.3 -2,-0.1 2,-0.2 -0.923 13.0-138.7-118.5 105.8 5.5 7.8 35.1 37 37 A K E -c 8 0B 129 -2,-0.6 -28,-0.2 -30,-0.2 3,-0.1 -0.427 20.2-174.5 -64.4 127.0 8.9 9.5 35.6 38 38 A V > + 0 0 1 -30,-2.2 3,-0.8 -2,-0.2 7,-0.1 -0.770 17.7 165.0-129.2 87.0 10.1 9.2 39.2 39 39 A P T 3 + 0 0 84 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.723 68.8 79.0 -69.6 -22.5 13.3 11.2 39.9 40 40 A E T 3 S- 0 0 127 1,-0.2 3,-0.2 -3,-0.1 2,-0.2 0.790 100.0-125.6 -59.6 -30.8 12.7 10.8 43.6 41 41 A G X> - 0 0 17 -3,-0.8 4,-1.3 1,-0.2 3,-0.5 -0.685 40.0 -41.5 118.7-170.2 14.0 7.3 43.5 42 42 A S H 3> S+ 0 0 12 1,-0.2 4,-1.8 -2,-0.2 5,-0.2 0.757 123.7 69.6 -68.5 -25.7 13.0 3.7 44.5 43 43 A G H 3> S+ 0 0 49 -3,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.908 104.8 39.6 -58.2 -44.2 11.5 5.0 47.8 44 44 A R H <> S+ 0 0 103 -3,-0.5 4,-2.7 2,-0.2 -1,-0.2 0.808 106.3 65.8 -76.3 -30.9 8.7 6.8 45.9 45 45 A L H X S+ 0 0 0 -4,-1.3 4,-1.3 1,-0.2 -2,-0.2 0.909 103.6 47.1 -55.0 -43.6 8.3 3.9 43.5 46 46 A I H X S+ 0 0 15 -4,-1.8 4,-2.4 2,-0.2 3,-0.3 0.918 110.5 51.7 -64.3 -45.2 7.2 1.7 46.4 47 47 A N H X S+ 0 0 96 -4,-1.2 4,-1.7 1,-0.2 6,-0.2 0.887 107.1 53.1 -58.6 -41.3 4.8 4.4 47.6 48 48 A L H <>S+ 0 0 5 -4,-2.7 5,-1.7 1,-0.2 6,-1.5 0.805 110.2 48.6 -66.0 -30.0 3.2 4.7 44.1 49 49 A L H ><5S+ 0 0 1 -4,-1.3 3,-1.2 -3,-0.3 -2,-0.2 0.906 110.4 49.8 -73.4 -44.1 2.7 0.9 44.2 50 50 A N H 3<5S+ 0 0 67 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.780 111.9 48.7 -65.3 -28.1 1.1 1.0 47.6 51 51 A S T 3<5S- 0 0 56 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.378 109.2-123.8 -93.5 3.1 -1.3 3.8 46.6 52 52 A N T < 5S+ 0 0 88 -3,-1.2 -3,-0.2 2,-0.2 -2,-0.1 0.725 75.6 127.0 60.4 22.9 -2.3 2.0 43.4 53 53 A E S - D 0 190B 35 130,-0.2 4,-1.1 -2,-0.2 3,-0.4 -0.311 48.1-132.8 -65.2 143.1 16.9 -0.7 43.2 61 61 A T H > S+ 0 0 0 128,-2.4 4,-2.3 127,-0.3 3,-0.5 0.920 101.8 55.5 -63.0 -49.3 16.7 -4.3 44.4 62 62 A E H > S+ 0 0 13 1,-0.2 4,-1.9 127,-0.2 -1,-0.2 0.755 102.3 60.5 -60.3 -24.8 17.5 -3.7 48.1 63 63 A A H > S+ 0 0 23 -3,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.934 111.3 36.1 -67.4 -47.5 14.6 -1.2 48.2 64 64 A F H X S+ 0 0 0 -4,-1.1 4,-1.8 -3,-0.5 -2,-0.2 0.810 116.9 53.1 -77.9 -31.7 11.9 -3.8 47.3 65 65 A I H X S+ 0 0 1 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.897 111.8 45.6 -69.1 -41.0 13.6 -6.6 49.2 66 66 A A H X S+ 0 0 11 -4,-1.9 4,-1.0 -5,-0.2 -2,-0.2 0.921 111.6 51.3 -67.3 -45.4 13.7 -4.6 52.4 67 67 A D H <>S+ 0 0 29 -4,-1.8 5,-1.8 1,-0.2 4,-0.3 0.891 113.2 45.2 -60.8 -41.9 10.2 -3.3 52.1 68 68 A I H ><5S+ 0 0 0 -4,-1.8 3,-1.3 1,-0.2 -1,-0.2 0.913 112.8 49.9 -67.2 -43.9 8.8 -6.8 51.7 69 69 A A H 3<5S+ 0 0 2 -4,-2.1 -1,-0.2 1,-0.3 212,-0.2 0.611 105.4 60.0 -72.1 -11.7 11.0 -8.3 54.5 70 70 A K T 3<5S- 0 0 124 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.501 131.5 -82.8 -94.7 -6.3 9.7 -5.4 56.7 71 71 A G T < 5S+ 0 0 32 -3,-1.3 2,-1.0 -4,-0.3 -3,-0.2 0.096 82.9 134.1 133.7 -24.8 6.1 -6.5 56.4 72 72 A N > < + 0 0 28 -5,-1.8 3,-0.8 1,-0.2 -1,-0.2 -0.408 21.5 173.4 -63.9 98.5 4.7 -5.0 53.2 73 73 A E T 3 + 0 0 138 -2,-1.0 -1,-0.2 1,-0.2 -5,-0.1 0.365 67.9 73.9 -88.4 4.6 2.9 -8.0 51.7 74 74 A N T 3 S+ 0 0 78 121,-0.1 122,-1.3 122,-0.1 2,-0.4 0.358 81.2 84.3 -97.7 3.6 1.4 -5.8 48.9 75 75 A I E < -E 195 0B 0 -3,-0.8 2,-0.4 120,-0.2 120,-0.2 -0.917 57.6-172.0-110.8 132.9 4.8 -5.6 47.0 76 76 A H E -E 194 0B 26 118,-2.7 118,-2.3 -2,-0.4 2,-0.8 -0.983 19.1-143.9-127.8 130.4 6.0 -8.4 44.6 77 77 A V E +Ef 193 294B 0 216,-2.2 218,-2.7 -2,-0.4 116,-0.3 -0.825 21.9 177.7 -90.9 111.2 9.3 -8.8 42.9 78 78 A L E - 0 0 7 114,-2.3 182,-0.3 -2,-0.8 2,-0.3 0.926 53.9 -29.3 -82.0 -48.7 8.6 -10.2 39.5 79 79 A D E -E 192 0B 1 113,-1.3 113,-3.6 180,-0.1 2,-0.4 -0.970 65.7 -82.2-162.9 170.3 12.0 -10.4 37.8 80 80 A T E -E 191 0B 8 -2,-0.3 111,-0.3 111,-0.3 3,-0.2 -0.724 28.5-177.5 -87.8 130.9 15.5 -9.0 37.6 81 81 A Y E S+ 0 0 2 109,-1.6 171,-2.2 -2,-0.4 2,-0.5 0.852 77.4 28.2 -92.7 -44.1 16.0 -5.9 35.4 82 82 A V E -EG 190 251B 0 108,-2.0 108,-0.7 169,-0.3 -1,-0.3 -0.973 59.6-170.7-123.6 119.2 19.8 -5.5 35.7 83 83 A K + 0 0 114 167,-1.6 168,-0.2 -2,-0.5 -1,-0.1 0.849 67.4 81.1 -75.3 -35.9 21.9 -8.6 36.4 84 84 A S S S- 0 0 11 166,-1.7 105,-1.9 104,-0.1 106,-0.3 -0.389 85.8-111.0 -72.4 150.1 25.1 -6.6 37.0 85 85 A P - 0 0 51 0, 0.0 2,-0.4 0, 0.0 103,-0.2 -0.206 29.9-101.7 -76.7 169.1 25.6 -5.0 40.5 86 86 A L - 0 0 10 101,-0.4 99,-1.6 163,-0.0 2,-0.7 -0.772 28.7-132.8 -94.3 137.4 25.6 -1.3 41.4 87 87 A L E -H 184 0C 16 -2,-0.4 78,-3.0 97,-0.2 2,-0.5 -0.805 20.2-164.4 -95.1 111.8 28.9 0.4 41.9 88 88 A W E -HI 183 164C 14 95,-2.9 95,-3.4 -2,-0.7 2,-0.4 -0.820 5.9-151.1 -96.7 130.3 29.1 2.6 45.0 89 89 A A E -HI 182 163C 0 74,-3.2 74,-1.8 -2,-0.5 2,-0.7 -0.856 7.3-141.2-102.9 132.7 31.8 5.2 45.4 90 90 A V E -HI 181 162C 1 91,-3.0 90,-2.7 -2,-0.4 91,-1.1 -0.833 32.7-178.5 -92.2 116.0 33.2 6.2 48.8 91 91 A S E +HI 179 161C 0 70,-2.8 70,-1.8 -2,-0.7 2,-0.3 -0.682 16.4 172.4-116.0 165.3 33.9 10.0 48.6 92 92 A T E -H 178 0C 0 86,-1.6 86,-2.5 -2,-0.2 68,-0.1 -0.923 50.5 -49.9-154.8 177.5 35.2 12.8 50.9 93 93 A G E > -H 177 0C 0 56,-0.7 3,-1.6 66,-0.3 84,-0.2 -0.259 44.7-131.4 -56.5 138.4 36.2 16.4 50.6 94 94 A S T 3 S+ 0 0 30 82,-1.2 -1,-0.1 1,-0.3 83,-0.1 0.765 110.5 40.2 -63.1 -25.2 38.5 17.2 47.7 95 95 A N T 3 S+ 0 0 134 81,-0.2 2,-1.9 83,-0.0 -1,-0.3 0.163 79.2 123.7-109.6 16.2 40.7 19.1 50.1 96 96 A R X + 0 0 13 -3,-1.6 3,-1.4 1,-0.2 -1,-0.0 -0.564 28.5 170.7 -78.6 81.6 40.4 16.7 53.0 97 97 A D T 3 S+ 0 0 142 -2,-1.9 -1,-0.2 1,-0.3 3,-0.1 0.559 75.2 62.7 -70.5 -7.0 44.1 16.0 53.5 98 98 A D T 3 S+ 0 0 110 1,-0.2 2,-0.7 -3,-0.1 -1,-0.3 0.657 95.8 63.3 -88.8 -19.4 43.2 14.2 56.7 99 99 A V < + 0 0 9 -3,-1.4 -1,-0.2 -6,-0.1 -3,-0.1 -0.863 52.4 149.1-110.1 98.7 41.2 11.6 54.8 100 100 A T + 0 0 107 -2,-0.7 2,-0.3 3,-0.2 -1,-0.1 0.397 68.3 4.5-108.6 -0.6 43.5 9.6 52.5 101 101 A D S S- 0 0 52 2,-0.3 80,-0.1 3,-0.0 -1,-0.1 -0.972 79.8 -92.6-167.3 175.2 41.6 6.3 52.6 102 102 A A S > S+ 0 0 7 78,-0.6 3,-0.6 -2,-0.3 2,-0.3 0.302 92.3 107.3 -82.3 9.5 38.5 4.5 53.8 103 103 A K T 3 S+ 0 0 138 1,-0.2 -2,-0.3 0, 0.0 -3,-0.2 -0.707 79.7 12.2 -92.1 140.5 40.6 3.5 56.8 104 104 A Q T 3 S+ 0 0 190 -2,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.869 83.2 167.0 63.6 39.3 40.0 5.0 60.2 105 105 A L < + 0 0 16 -3,-0.6 -1,-0.2 1,-0.2 3,-0.1 -0.669 10.7 167.5 -83.9 140.1 36.7 6.6 59.2 106 106 A K + 0 0 104 -2,-0.3 2,-0.8 1,-0.3 29,-0.5 0.740 59.4 46.5-114.8 -69.3 34.5 7.9 62.0 107 107 A R E -j 135 0C 79 27,-0.1 52,-2.1 26,-0.1 53,-1.5 -0.729 68.4-163.8 -87.9 109.4 31.6 10.1 60.9 108 108 A I E -jk 136 160C 4 27,-2.9 29,-2.7 -2,-0.8 2,-0.3 -0.833 9.9-143.0 -97.6 120.2 29.7 8.5 58.0 109 109 A G E +jk 137 161C 0 51,-3.2 53,-0.7 -2,-0.6 2,-0.3 -0.623 25.2 171.0 -82.8 136.4 27.4 10.7 56.0 110 110 A V E -j 138 0C 0 27,-3.4 29,-3.0 -2,-0.3 30,-0.5 -0.968 39.6-132.0-140.7 156.5 24.2 9.4 54.7 111 111 A S S S- 0 0 15 -2,-0.3 29,-1.3 1,-0.3 2,-0.3 0.945 90.4 -11.6 -71.0 -49.8 21.0 10.8 53.0 112 112 A R S > S- 0 0 177 27,-0.1 3,-1.5 26,-0.1 2,-0.5 -0.972 78.1 -92.8-146.6 158.9 18.7 8.9 55.3 113 113 A I T 3 S+ 0 0 100 -2,-0.3 3,-0.1 1,-0.2 25,-0.0 -0.652 116.3 19.3 -73.6 122.2 18.8 6.1 57.9 114 114 A G T 3 S+ 0 0 38 -2,-0.5 -1,-0.2 1,-0.3 162,-0.0 0.374 99.4 125.5 97.1 -2.6 18.1 2.8 56.1 115 115 A S S <> S- 0 0 25 -3,-1.5 4,-2.8 1,-0.1 3,-0.4 -0.179 79.5 -95.3 -78.6 177.9 18.9 4.3 52.7 116 116 A G H > S+ 0 0 16 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.896 125.6 53.8 -61.8 -42.9 21.4 2.9 50.2 117 117 A S H 4 S+ 0 0 1 1,-0.2 4,-0.2 2,-0.2 -1,-0.2 0.767 114.3 44.4 -63.2 -25.3 24.2 5.1 51.4 118 118 A Y H >4 S+ 0 0 31 -3,-0.4 3,-0.6 -6,-0.3 4,-0.5 0.899 113.8 45.8 -84.9 -46.9 23.5 3.8 54.9 119 119 A V H >X S+ 0 0 3 -4,-2.8 3,-1.2 1,-0.2 4,-0.7 0.880 109.0 55.9 -65.7 -39.4 23.2 0.1 54.2 120 120 A X H 3X S+ 0 0 1 -4,-2.4 4,-2.1 1,-0.3 -1,-0.2 0.683 92.3 71.4 -69.5 -17.9 26.3 0.0 52.0 121 121 A S H <> S+ 0 0 0 -3,-0.6 4,-2.0 -4,-0.2 -1,-0.3 0.803 96.3 52.8 -66.9 -27.9 28.4 1.4 54.9 122 122 A F H <> S+ 0 0 14 -3,-1.2 4,-1.8 -4,-0.5 -1,-0.2 0.821 107.5 50.1 -75.4 -33.0 28.0 -1.9 56.6 123 123 A V H X S+ 0 0 9 -4,-0.7 4,-2.1 2,-0.2 -2,-0.2 0.874 110.0 52.0 -70.2 -38.6 29.3 -3.7 53.4 124 124 A L H X S+ 0 0 2 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.957 111.2 45.5 -60.1 -53.1 32.2 -1.4 53.4 125 125 A A H X>S+ 0 0 0 -4,-2.0 5,-2.4 1,-0.2 4,-0.7 0.881 111.0 54.5 -59.2 -40.9 33.2 -2.1 57.0 126 126 A H H ><5S+ 0 0 122 -4,-1.8 3,-0.9 1,-0.2 -1,-0.2 0.929 110.7 43.8 -60.3 -48.1 32.7 -5.8 56.5 127 127 A Q H 3<5S+ 0 0 135 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.763 110.2 57.3 -69.6 -25.5 35.1 -6.0 53.6 128 128 A L H 3<5S- 0 0 61 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.618 111.8-122.1 -79.0 -13.2 37.6 -3.7 55.4 129 129 A G T <<5S+ 0 0 68 -3,-0.9 -3,-0.2 -4,-0.7 -2,-0.1 0.739 73.3 119.8 77.0 24.0 37.6 -6.2 58.3 130 130 A V S S- 0 0 68 -2,-2.8 4,-1.3 -31,-0.1 -2,-0.0 -0.732 83.4-104.5-126.8 174.5 20.3 14.8 49.9 142 142 A F H > S+ 0 0 27 -2,-0.2 4,-1.4 1,-0.2 5,-0.2 0.834 114.9 59.9 -66.6 -35.1 23.4 14.3 47.8 143 143 A K H > S+ 0 0 107 1,-0.2 4,-1.6 2,-0.2 3,-0.4 0.933 106.7 45.7 -58.4 -48.8 24.2 18.1 47.7 144 144 A N H > S+ 0 0 44 -5,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.812 104.9 62.9 -65.5 -31.7 24.5 18.3 51.4 145 145 A L H X S+ 0 0 0 -4,-1.3 4,-1.7 1,-0.2 -1,-0.2 0.864 105.6 45.4 -62.3 -37.2 26.7 15.1 51.5 146 146 A R H X S+ 0 0 14 -4,-1.4 4,-1.4 -3,-0.4 -1,-0.2 0.894 113.3 48.7 -73.4 -41.5 29.3 16.9 49.4 147 147 A D H <>S+ 0 0 20 -4,-1.6 5,-2.8 2,-0.2 -2,-0.2 0.853 109.3 55.8 -63.9 -35.0 29.2 20.0 51.5 148 148 A S H ><5S+ 0 0 0 -4,-2.4 3,-1.4 1,-0.2 10,-1.1 0.946 109.3 42.5 -64.4 -51.6 29.5 17.9 54.6 149 149 A V H 3<5S+ 0 0 0 -4,-1.7 -56,-0.7 1,-0.3 -1,-0.2 0.762 113.7 54.4 -67.9 -24.6 32.7 16.1 53.7 150 150 A N T 3<5S- 0 0 33 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.448 110.4-128.0 -85.2 -1.9 34.0 19.5 52.4 151 151 A L T < 5 + 0 0 90 -3,-1.4 -3,-0.2 7,-0.2 -2,-0.1 0.874 50.2 163.2 57.3 41.7 33.3 20.9 55.8 152 152 A K > < - 0 0 100 -5,-2.8 3,-0.8 1,-0.1 2,-0.2 -0.314 42.7 -85.5 -83.7 171.8 31.3 23.8 54.4 153 153 A D T 3 S+ 0 0 159 1,-0.2 -1,-0.1 -2,-0.1 3,-0.1 -0.482 104.7 42.2 -79.1 148.2 28.8 26.1 56.2 154 154 A G T 3 S+ 0 0 82 1,-0.2 2,-0.3 -2,-0.2 -1,-0.2 0.126 107.6 58.8 106.2 -19.5 25.2 25.1 56.7 155 155 A V S < S- 0 0 36 -3,-0.8 -1,-0.2 -8,-0.1 2,-0.2 -0.944 85.7-100.2-138.8 159.4 25.8 21.4 57.5 156 156 A E - 0 0 147 -2,-0.3 -5,-0.1 1,-0.1 -4,-0.1 -0.514 47.4-104.5 -77.0 148.1 27.6 19.3 60.1 157 157 A G - 0 0 11 -2,-0.2 2,-0.3 -6,-0.1 -8,-0.2 -0.262 37.8-177.6 -72.4 158.3 31.0 17.8 59.1 158 158 A S - 0 0 0 -10,-1.1 -7,-0.2 1,-0.1 -50,-0.2 -0.985 30.7-132.2-153.3 157.3 31.6 14.2 58.2 159 159 A D S S- 0 0 20 -52,-2.1 -66,-0.3 -2,-0.3 2,-0.3 0.915 79.8 -23.1 -78.8 -45.7 34.5 12.0 57.2 160 160 A A E - k 0 108C 0 -53,-1.5 -51,-3.2 -68,-0.1 2,-0.3 -0.986 51.4-159.8-160.9 163.8 33.0 10.2 54.1 161 161 A F E -Ik 91 109C 0 -70,-1.8 -70,-2.8 -2,-0.3 2,-0.4 -0.962 18.2-125.0-146.1 163.6 29.8 9.2 52.4 162 162 A X E +I 90 0C 2 -53,-0.7 2,-0.3 -2,-0.3 -72,-0.2 -0.898 33.6 152.8-116.6 143.4 28.8 6.6 49.8 163 163 A W E -I 89 0C 56 -74,-1.8 -74,-3.2 -2,-0.4 5,-0.1 -0.978 53.7 -67.5-162.8 154.6 26.9 7.3 46.5 164 164 A E E > -I 88 0C 24 -2,-0.3 4,-1.6 -76,-0.2 3,-0.4 -0.200 48.4-129.1 -52.6 134.2 26.5 5.7 43.0 165 165 A Y H >> S+ 0 0 45 -78,-3.0 4,-2.1 1,-0.2 3,-0.9 0.928 101.4 46.1 -54.4 -61.9 29.8 6.1 41.2 166 166 A F H 3> S+ 0 0 8 1,-0.3 4,-0.6 2,-0.2 -1,-0.2 0.763 112.6 53.3 -59.2 -25.7 28.8 7.6 37.8 167 167 A T H 34 S+ 0 0 30 -3,-0.4 -1,-0.3 1,-0.2 4,-0.3 0.830 114.2 42.2 -73.4 -33.3 26.6 10.1 39.7 168 168 A S H XX S+ 0 0 0 -4,-1.6 3,-1.1 -3,-0.9 4,-0.7 0.695 96.6 78.7 -84.6 -22.0 29.7 11.0 41.8 169 169 A K H >X S+ 0 0 32 -4,-2.1 4,-2.0 1,-0.3 3,-0.9 0.849 85.4 60.7 -58.3 -37.4 32.1 11.0 38.8 170 170 A K H 3X S+ 0 0 51 -4,-0.6 4,-1.2 1,-0.3 -1,-0.3 0.846 107.3 46.1 -57.3 -34.6 30.8 14.5 37.7 171 171 A Y H <4>S+ 0 0 61 -3,-1.1 6,-2.4 -4,-0.3 5,-1.7 0.518 107.0 57.2 -91.9 -6.9 32.0 15.8 41.1 172 172 A Y H X<5S+ 0 0 31 -3,-0.9 3,-0.8 -4,-0.7 -2,-0.2 0.814 108.2 48.6 -80.1 -37.5 35.4 14.0 40.9 173 173 A D H 3<5S+ 0 0 86 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.1 0.817 110.0 49.1 -74.3 -33.3 36.0 15.8 37.6 174 174 A N T 3<5S- 0 0 83 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.1 0.329 112.7-120.7 -87.8 7.1 35.1 19.3 38.8 175 175 A H T < 5S+ 0 0 151 -3,-0.8 -3,-0.2 2,-0.2 -2,-0.1 0.807 78.4 123.1 60.6 34.2 37.4 18.6 41.8 176 176 A E S - E 0 75B 2 -140,-0.8 4,-2.4 -2,-0.3 5,-0.2 -0.681 31.2-114.4-105.3 162.1 1.5 -4.7 43.6 196 196 A S H > S+ 0 0 25 -122,-1.3 4,-1.2 -2,-0.2 5,-0.1 0.844 118.0 49.2 -60.5 -33.6 -0.8 -7.6 44.7 197 197 A D H > S+ 0 0 81 -123,-0.2 4,-2.3 2,-0.2 5,-0.3 0.933 112.7 43.5 -73.2 -48.6 -3.7 -5.8 43.0 198 198 A S H > S+ 0 0 6 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.856 115.1 50.5 -66.1 -36.2 -2.0 -5.1 39.7 199 199 A L H < S+ 0 0 21 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.825 114.2 45.1 -70.2 -31.6 -0.6 -8.6 39.6 200 200 A Q H < S+ 0 0 165 -4,-1.2 3,-0.3 -5,-0.2 -2,-0.2 0.862 124.9 29.5 -80.9 -38.1 -4.0 -10.1 40.3 201 201 A A H < S+ 0 0 76 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.619 131.6 33.1 -98.5 -16.3 -6.1 -8.1 37.9 202 202 A K S X S+ 0 0 56 -4,-1.8 4,-1.3 -5,-0.3 -1,-0.2 -0.210 72.5 129.0-136.3 43.9 -3.5 -7.4 35.2 203 203 A S H > S+ 0 0 36 -3,-0.3 4,-1.9 2,-0.2 3,-0.3 0.958 74.4 47.7 -67.0 -53.3 -1.2 -10.5 35.1 204 204 A D H > S+ 0 0 70 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.876 112.3 49.9 -57.6 -41.3 -1.4 -11.2 31.4 205 205 A V H > S+ 0 0 1 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.824 107.9 54.1 -69.9 -31.0 -0.7 -7.6 30.4 206 206 A I H X S+ 0 0 0 -4,-1.3 4,-2.1 -3,-0.3 -1,-0.2 0.865 105.2 54.5 -68.6 -36.6 2.3 -7.5 32.8 207 207 A K H X S+ 0 0 46 -4,-1.9 4,-2.2 1,-0.2 5,-0.2 0.942 106.7 49.5 -61.4 -49.3 3.8 -10.6 31.1 208 208 A N H X S+ 0 0 31 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.823 108.9 54.9 -59.7 -32.3 3.6 -9.0 27.7 209 209 A F H X S+ 0 0 0 -4,-1.3 4,-2.4 2,-0.2 -1,-0.2 0.937 106.6 48.8 -66.3 -47.9 5.4 -5.9 29.2 210 210 A I H X S+ 0 0 7 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.899 112.1 49.4 -58.8 -41.8 8.3 -8.0 30.6 211 211 A D H X S+ 0 0 20 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.851 110.0 51.6 -64.7 -35.1 8.6 -9.6 27.1 212 212 A A H X S+ 0 0 0 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.860 109.0 50.2 -68.2 -36.5 8.5 -6.1 25.6 213 213 A V H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.841 105.7 58.2 -68.1 -34.1 11.3 -5.1 28.0 214 214 A N H X S+ 0 0 21 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.917 107.9 44.6 -60.5 -45.3 13.2 -8.2 26.9 215 215 A Q H X S+ 0 0 68 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.851 110.1 55.8 -68.7 -35.1 13.2 -7.0 23.3 216 216 A G H X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.887 107.8 49.0 -62.3 -39.5 14.1 -3.5 24.4 217 217 A I H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.877 109.7 51.8 -66.9 -38.8 17.2 -5.0 26.2 218 218 A Q H X S+ 0 0 96 -4,-1.8 4,-1.4 2,-0.2 -2,-0.2 0.907 109.2 49.8 -64.0 -42.3 18.1 -7.0 23.0 219 219 A Y H < S+ 0 0 29 -4,-2.4 4,-0.4 2,-0.2 -1,-0.2 0.890 110.0 52.1 -63.3 -39.8 17.9 -3.8 20.9 220 220 A Y H >< S+ 0 0 5 -4,-1.9 3,-1.5 1,-0.2 7,-0.2 0.948 108.6 49.0 -59.6 -51.3 20.1 -2.0 23.5 221 221 A N H 3< S+ 0 0 77 -4,-2.4 3,-0.4 1,-0.3 -1,-0.2 0.759 115.2 45.6 -61.4 -25.9 22.7 -4.8 23.3 222 222 A E T 3< S+ 0 0 123 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.393 119.8 40.3 -98.9 1.1 22.7 -4.6 19.5 223 223 A H <> + 0 0 64 -3,-1.5 4,-1.9 -4,-0.4 -1,-0.2 -0.291 63.0 146.8-144.5 54.0 22.8 -0.8 19.4 224 224 A V H > S+ 0 0 47 -3,-0.4 4,-2.7 1,-0.2 5,-0.2 0.915 76.4 53.1 -57.3 -47.4 25.2 0.3 22.1 225 225 A D H > S+ 0 0 118 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.898 109.2 49.1 -56.0 -43.3 26.4 3.3 20.1 226 226 A E H > S+ 0 0 51 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.854 110.6 51.6 -65.3 -34.7 22.7 4.4 19.6 227 227 A A H X S+ 0 0 0 -4,-1.9 4,-2.8 -7,-0.2 -2,-0.2 0.899 108.8 50.0 -67.5 -41.8 22.2 4.0 23.4 228 228 A I H X S+ 0 0 19 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.898 110.9 49.8 -62.1 -41.7 25.3 6.2 24.1 229 229 A E H < S+ 0 0 131 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.861 112.8 47.7 -65.0 -37.0 24.0 8.8 21.7 230 230 A Y H >X S+ 0 0 35 -4,-1.8 4,-1.5 2,-0.2 3,-1.3 0.934 112.6 46.7 -69.4 -48.1 20.6 8.7 23.5 231 231 A I H 3X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.3 6,-0.5 0.901 113.6 47.5 -62.5 -43.8 21.9 8.9 27.0 232 232 A S H 3< S+ 0 0 35 -4,-2.2 -1,-0.3 -5,-0.2 7,-0.2 0.277 118.6 42.7 -84.6 12.5 24.3 11.8 26.3 233 233 A S H <4 S+ 0 0 81 -3,-1.3 -1,-0.2 5,-0.1 -2,-0.2 0.495 128.7 21.2-128.3 -16.2 21.6 13.7 24.5 234 234 A N H < S+ 0 0 107 -4,-1.5 2,-0.2 -3,-0.2 -3,-0.2 0.511 115.8 59.2-129.4 -16.6 18.6 13.2 26.7 235 235 A L S < S- 0 0 31 -4,-1.9 2,-2.2 -5,-0.4 -224,-0.1 -0.712 93.3 -95.1-115.7 167.4 20.0 12.3 30.1 236 236 A D S S+ 0 0 126 -2,-0.2 2,-0.3 -3,-0.1 -4,-0.1 -0.424 87.9 99.7 -81.8 66.5 22.4 14.1 32.5 237 237 A Y - 0 0 21 -2,-2.2 -2,-0.2 -6,-0.5 -3,-0.1 -0.988 67.4-122.5-151.8 141.0 25.5 12.3 31.3 238 238 A S > - 0 0 59 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.304 33.5-108.4 -75.5 165.1 28.4 13.2 29.0 239 239 A A H > S+ 0 0 59 -7,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.859 119.8 51.5 -61.4 -35.9 29.3 11.1 26.0 240 240 A E H > S+ 0 0 114 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.963 111.9 42.9 -66.4 -54.2 32.4 9.9 27.8 241 241 A D H > S+ 0 0 4 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.876 113.1 53.5 -61.2 -39.2 30.7 8.8 31.0 242 242 A A H X S+ 0 0 0 -4,-2.4 4,-1.4 2,-0.2 -1,-0.2 0.872 108.2 51.9 -62.4 -37.2 27.9 7.2 29.0 243 243 A K H X S+ 0 0 85 -4,-1.6 4,-0.6 -5,-0.2 3,-0.3 0.945 112.6 42.5 -64.0 -50.6 30.5 5.3 27.0 244 244 A E H >< S+ 0 0 77 -4,-2.2 3,-0.6 1,-0.2 4,-0.5 0.808 108.4 62.0 -67.2 -30.3 32.2 3.9 30.1 245 245 A W H >X S+ 0 0 2 -4,-2.1 3,-1.3 1,-0.2 4,-0.9 0.879 97.4 56.1 -63.5 -39.7 28.9 3.2 31.7 246 246 A T H 3< S+ 0 0 20 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.724 99.9 61.6 -66.8 -21.2 27.8 0.7 29.0 247 247 A K T << S+ 0 0 145 -3,-0.6 -1,-0.3 -4,-0.6 -2,-0.2 0.684 109.2 40.8 -76.3 -18.7 31.0 -1.3 29.7 248 248 A T T <4 S+ 0 0 64 -3,-1.3 2,-0.4 -4,-0.5 -2,-0.2 0.561 99.2 86.5-106.4 -13.2 29.9 -2.0 33.3 249 249 A V < + 0 0 18 -4,-0.9 2,-0.4 -165,-0.1 -163,-0.0 -0.778 44.9 180.0-102.6 133.0 26.2 -2.7 32.8 250 250 A E - 0 0 98 -2,-0.4 -166,-1.7 -165,-0.1 -167,-1.6 -0.915 14.9-155.6-128.7 105.8 24.6 -6.0 32.0 251 251 A F B -G 82 0B 3 -2,-0.4 2,-1.4 -169,-0.2 -169,-0.3 -0.331 35.2 -95.9 -71.6 160.1 20.8 -6.1 31.6 252 252 A N > + 0 0 19 -171,-2.2 3,-1.9 1,-0.2 -35,-0.1 -0.632 41.2 178.4 -81.5 90.1 18.9 -9.3 32.2 253 253 A S T 3 S+ 0 0 61 -2,-1.4 -1,-0.2 1,-0.3 -35,-0.1 0.556 81.4 58.2 -68.8 -6.4 18.5 -10.5 28.6 254 254 A R T >> S+ 0 0 163 -174,-0.1 3,-2.4 -3,-0.1 4,-2.1 0.274 75.0 141.1-104.2 8.1 16.7 -13.6 30.1 255 255 A I T <4 S+ 0 0 0 -3,-1.9 -41,-0.1 1,-0.3 -176,-0.1 -0.289 76.7 8.3 -58.1 128.1 14.0 -11.5 31.8 256 256 A G T 34 S+ 0 0 18 2,-0.4 -1,-0.3 -178,-0.1 -45,-0.1 0.262 124.2 70.5 84.4 -12.1 10.7 -13.2 31.5 257 257 A K T <4 S+ 0 0 141 -3,-2.4 -2,-0.2 1,-0.3 41,-0.1 0.722 103.3 28.3-105.0 -31.5 12.3 -16.3 30.1 258 258 A T S < S- 0 0 66 -4,-2.1 -2,-0.4 39,-0.1 -1,-0.3 -0.999 88.6-103.5-136.8 134.9 14.2 -17.6 33.2 259 259 A P - 0 0 60 0, 0.0 37,-0.1 0, 0.0 -180,-0.1 -0.164 48.7 -96.6 -52.3 146.3 13.4 -17.2 36.9 260 260 A L - 0 0 15 35,-0.3 2,-0.7 -182,-0.3 5,-0.1 -0.224 43.4 -94.2 -64.0 155.5 15.4 -14.6 38.8 261 261 A D > - 0 0 92 1,-0.2 4,-1.0 -3,-0.1 5,-0.3 -0.632 33.9-161.5 -76.3 112.8 18.5 -15.8 40.8 262 262 A W H >>S+ 0 0 55 -2,-0.7 4,-2.5 1,-0.2 5,-1.9 0.873 86.6 48.4 -64.5 -40.9 17.3 -16.3 44.4 263 263 A D H 4>S+ 0 0 77 1,-0.2 5,-2.4 3,-0.2 6,-0.3 0.879 116.1 42.0 -68.0 -38.9 20.7 -16.2 46.0 264 264 A T H 45S+ 0 0 25 3,-0.2 -76,-1.5 4,-0.1 -1,-0.2 0.543 127.0 31.8 -89.5 -7.8 21.9 -13.0 44.2 265 265 A I H <5S+ 0 0 0 -4,-1.0 -3,-0.2 -3,-0.2 -2,-0.2 0.733 134.5 15.4-113.4 -42.9 18.5 -11.2 44.6 266 266 A V T X5S+ 0 0 1 -4,-2.5 4,-2.8 -5,-0.3 -3,-0.2 0.892 122.8 45.1-100.8 -59.4 17.0 -12.4 47.9 267 267 A V H > S+ 0 0 0 -6,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.925 110.1 49.7 -64.5 -45.5 20.4 -8.8 50.0 270 270 A K H X S+ 0 0 29 -4,-2.8 4,-2.2 1,-0.2 5,-0.2 0.921 109.0 52.1 -58.1 -47.5 18.6 -10.2 53.1 271 271 A D H X S+ 0 0 77 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.888 112.5 45.6 -58.0 -41.8 21.9 -10.9 54.8 272 272 A T H X S+ 0 0 13 -4,-1.8 4,-1.9 -5,-0.2 -1,-0.2 0.923 110.9 51.1 -69.0 -46.4 23.1 -7.4 54.2 273 273 A L H <>S+ 0 0 3 -4,-2.5 5,-2.2 1,-0.2 6,-0.9 0.846 111.4 48.8 -61.3 -35.5 19.9 -5.7 55.3 274 274 A K H ><5S+ 0 0 66 -4,-2.2 3,-1.0 4,-0.2 -1,-0.2 0.855 108.6 53.6 -72.1 -35.5 19.9 -7.7 58.6 275 275 A L H 3<5S+ 0 0 77 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.834 106.9 52.4 -64.8 -33.0 23.6 -6.7 59.1 276 276 A A T 3<5S- 0 0 2 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.480 116.2-118.4 -82.0 -3.1 22.5 -3.1 58.7 277 277 A G T < 5S+ 0 0 57 -3,-1.0 -3,-0.2 -5,-0.2 -2,-0.1 0.589 81.7 122.7 76.3 10.6 19.9 -3.7 61.4 278 278 A V < + 0 0 33 -5,-2.2 2,-0.7 -6,-0.2 -4,-0.2 0.834 66.2 58.2 -71.1 -33.4 17.1 -2.8 58.9 279 279 A L + 0 0 8 -6,-0.9 -1,-0.2 1,-0.1 -2,-0.2 -0.875 55.4 165.5-104.2 109.7 15.5 -6.2 59.4 280 280 A A + 0 0 103 -2,-0.7 -1,-0.1 -3,-0.0 -210,-0.1 0.652 49.0 95.7 -95.0 -19.2 14.5 -6.7 63.1 281 281 A E S S- 0 0 97 -212,-0.2 -2,-0.0 1,-0.1 -212,-0.0 -0.167 85.3 -86.0 -69.9 166.4 12.2 -9.7 62.4 282 282 A S > - 0 0 62 1,-0.1 4,-2.3 4,-0.0 5,-0.2 -0.197 34.6-110.5 -71.5 164.9 13.3 -13.3 62.8 283 283 A D H > S+ 0 0 86 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.886 116.3 50.9 -63.1 -41.7 14.9 -15.3 60.0 284 284 A D H > S+ 0 0 136 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.904 112.7 44.7 -64.8 -43.4 11.9 -17.6 59.5 285 285 A V H > S+ 0 0 42 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.900 114.4 49.1 -69.1 -41.9 9.4 -14.7 59.2 286 286 A I H X S+ 0 0 0 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.953 114.5 44.1 -60.8 -51.2 11.7 -12.7 56.9 287 287 A L H X S+ 0 0 62 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.837 111.6 55.5 -63.7 -33.6 12.3 -15.7 54.6 288 288 A K H X S+ 0 0 151 -4,-1.9 4,-0.9 -5,-0.2 -1,-0.2 0.898 108.1 47.0 -65.3 -41.7 8.6 -16.5 54.7 289 289 A R H X S+ 0 0 57 -4,-2.2 4,-0.6 1,-0.2 -1,-0.2 0.756 114.0 48.9 -72.0 -24.6 7.6 -13.1 53.5 290 290 A L H X S+ 0 0 0 -4,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.785 104.5 58.2 -84.4 -30.1 10.2 -13.3 50.7 291 291 A N H < S+ 0 0 62 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.753 112.9 39.9 -69.7 -24.7 9.2 -16.7 49.5 292 292 A S H < S+ 0 0 79 -4,-0.9 -1,-0.2 -5,-0.1 -2,-0.2 0.599 121.9 39.4-101.2 -15.0 5.6 -15.5 48.9 293 293 A N H < S+ 0 0 10 -4,-0.6 -216,-2.2 -5,-0.1 2,-0.6 0.590 101.7 73.3-110.9 -16.2 6.4 -12.1 47.4 294 294 A V B < S-f 77 0B 4 -4,-1.8 -216,-0.2 -218,-0.2 -1,-0.1 -0.903 85.4-122.2-104.2 119.8 9.5 -12.8 45.3 295 295 A K - 0 0 63 -218,-2.7 -35,-0.3 -2,-0.6 -3,-0.1 -0.323 25.5-177.5 -63.1 132.0 8.7 -14.8 42.1 296 296 A K S S+ 0 0 111 -5,-0.1 2,-0.3 -37,-0.1 -1,-0.2 0.372 73.9 41.0-104.2 -1.6 10.5 -18.1 41.7 297 297 A T S S- 0 0 87 -219,-0.1 2,-0.2 -39,-0.1 -37,-0.2 -0.900 87.7-102.1-138.1 166.6 8.9 -18.5 38.2 298 298 A N - 0 0 25 -2,-0.3 -219,-0.1 -41,-0.1 -2,-0.1 -0.634 49.2 -91.3 -88.6 151.1 8.1 -16.5 35.1 299 299 A L - 0 0 24 -2,-0.2 2,-0.3 -221,-0.1 -1,-0.1 -0.318 46.3-167.6 -61.9 140.8 4.6 -15.3 34.5 300 300 A Q - 0 0 155 -3,-0.1 2,-0.2 -2,-0.0 -93,-0.1 -0.969 19.8-115.7-133.1 148.7 2.4 -17.6 32.4 301 301 A L - 0 0 96 -2,-0.3 2,-0.0 1,-0.1 0, 0.0 -0.531 39.2-100.9 -81.6 148.2 -0.9 -17.3 30.6 302 302 A D - 0 0 117 -2,-0.2 -1,-0.1 1,-0.1 0, 0.0 -0.301 44.3 -97.6 -65.6 150.8 -3.9 -19.3 31.7 303 303 A G - 0 0 35 1,-0.1 3,-0.4 2,-0.0 -1,-0.1 -0.253 25.4-118.7 -67.5 157.1 -4.8 -22.4 29.6 304 304 A D S S+ 0 0 173 1,-0.2 -1,-0.1 2,-0.2 -2,-0.1 0.876 115.7 48.6 -64.2 -39.2 -7.6 -22.3 27.0 305 305 A L 0 0 180 1,-0.2 -1,-0.2 0, 0.0 -2,-0.0 0.665 360.0 360.0 -76.3 -16.5 -9.7 -24.9 28.8 306 306 A E 0 0 175 -3,-0.4 -1,-0.2 0, 0.0 -2,-0.2 0.724 360.0 360.0 -72.8 360.0 -9.3 -22.9 32.0