==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 01-DEC-08 2ZWA . COMPND 2 MOLECULE: LEUCINE CARBOXYL METHYLTRANSFERASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR Y.SUZUKI,A.NOMA,T.SUZUKI,R.ISHITANI,O.NUREKI . 1357 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 55723.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 915 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 62 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 282 20.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 9 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 11 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.1 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 . 104 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 115 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 271 20.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 1.5 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 5 3 0 2 6 1 5 2 1 1 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 0 0 2 6 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 . 19 3 4 18 13 2 4 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 6 10 2 0 0 2 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 16 A Q > 0 0 205 0, 0.0 4,-1.3 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -74.2 9.9 -29.7 114.1 2 17 A E H > + 0 0 164 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.705 360.0 61.6 -77.8 -23.3 12.0 -26.8 113.0 3 18 A R H > S+ 0 0 222 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.882 102.1 51.3 -66.1 -39.7 12.6 -28.8 109.9 4 19 A R H > S+ 0 0 207 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.916 112.1 45.5 -61.4 -46.4 8.9 -28.6 109.2 5 20 A K H X S+ 0 0 121 -4,-1.3 4,-2.7 2,-0.2 -2,-0.2 0.905 112.3 50.3 -65.3 -44.1 8.9 -24.8 109.7 6 21 A K H X S+ 0 0 116 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.917 113.1 47.1 -60.6 -43.8 12.0 -24.3 107.5 7 22 A Y H X S+ 0 0 134 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.914 112.5 48.4 -64.5 -44.2 10.4 -26.4 104.8 8 23 A A H X S+ 0 0 38 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.917 112.5 49.9 -62.1 -42.2 7.1 -24.6 105.0 9 24 A D H X S+ 0 0 23 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.918 111.2 47.0 -63.9 -46.0 8.9 -21.3 104.9 10 25 A L H X S+ 0 0 73 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.878 109.0 55.4 -66.2 -36.7 11.0 -22.2 101.8 11 26 A A H < S+ 0 0 23 -4,-2.3 4,-0.5 2,-0.2 -1,-0.2 0.884 109.6 46.9 -60.3 -39.3 7.9 -23.5 100.0 12 27 A I H >< S+ 0 0 15 -4,-1.8 3,-1.3 1,-0.2 4,-0.5 0.906 109.3 53.4 -70.2 -40.5 6.3 -20.1 100.6 13 28 A Q H >< S+ 0 0 20 -4,-2.5 3,-1.3 1,-0.3 4,-0.4 0.859 101.1 63.0 -59.5 -34.1 9.4 -18.3 99.4 14 29 A G T >X S+ 0 0 29 -4,-1.9 3,-1.0 1,-0.3 4,-0.9 0.701 83.9 73.7 -67.2 -19.6 9.2 -20.4 96.2 15 30 A T H <> S+ 0 0 18 -3,-1.3 4,-2.0 -4,-0.5 3,-0.4 0.834 87.3 65.6 -62.6 -27.7 5.9 -18.9 95.3 16 31 A N H <> S+ 0 0 0 -3,-1.3 4,-2.4 -4,-0.5 5,-0.3 0.827 91.1 62.5 -62.8 -30.8 7.9 -15.8 94.3 17 32 A N H <> S+ 0 0 92 -3,-1.0 4,-1.4 -4,-0.4 -1,-0.2 0.911 106.6 45.0 -59.1 -40.4 9.6 -17.9 91.6 18 33 A S H X S+ 0 0 62 -4,-0.9 4,-2.1 -3,-0.4 -2,-0.2 0.937 115.1 44.5 -70.2 -47.6 6.2 -18.3 89.9 19 34 A S H X S+ 0 0 4 -4,-2.0 4,-2.2 2,-0.2 5,-0.2 0.895 112.3 50.9 -68.7 -39.0 5.0 -14.7 90.2 20 35 A I H X S+ 0 0 5 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.907 111.4 49.0 -65.9 -37.1 8.2 -13.1 89.1 21 36 A A H X S+ 0 0 12 -4,-1.4 4,-2.0 -5,-0.3 -1,-0.2 0.894 110.8 50.0 -68.3 -38.8 8.3 -15.3 86.0 22 37 A S H X S+ 0 0 2 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.880 110.1 50.2 -67.8 -35.2 4.7 -14.5 85.2 23 38 A K H X S+ 0 0 2 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.903 108.7 52.9 -68.3 -38.8 5.5 -10.7 85.5 24 39 A R H X S+ 0 0 18 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.867 102.8 58.3 -61.1 -38.3 8.5 -11.2 83.3 25 40 A S H X S+ 0 0 3 -4,-2.0 4,-2.2 1,-0.2 5,-0.4 0.916 108.4 46.4 -56.0 -42.6 6.1 -12.9 80.7 26 41 A V H X>S+ 0 0 0 -4,-1.5 5,-2.0 1,-0.2 4,-1.4 0.894 109.0 53.6 -68.1 -39.8 4.1 -9.7 80.7 27 42 A E H <5S+ 0 0 0 -4,-2.0 -1,-0.2 3,-0.2 -2,-0.2 0.876 113.8 45.1 -59.0 -37.3 7.2 -7.5 80.4 28 43 A L H <5S+ 0 0 45 -4,-2.2 -2,-0.2 -5,-0.1 -1,-0.2 0.886 128.9 18.5 -74.4 -42.8 8.2 -9.6 77.3 29 44 A L H <5S+ 0 0 47 -4,-2.2 4,-0.2 -5,-0.2 -3,-0.2 0.861 128.8 35.1-101.7 -43.6 4.9 -9.7 75.5 30 45 A Y T ><5S+ 0 0 2 -4,-1.4 3,-2.2 -5,-0.4 4,-0.4 0.942 107.5 56.1 -82.7 -53.2 2.6 -7.0 76.7 31 46 A L G > - 0 0 50 -2,-0.4 3,-2.2 1,-0.1 4,-0.2 -0.168 41.1 -85.1 -70.0 166.4 1.5 2.8 74.3 36 51 A S G > S+ 0 0 52 1,-0.3 3,-0.5 2,-0.2 4,-0.3 0.698 123.0 72.2 -42.3 -25.7 3.0 5.4 76.7 37 52 A A G 3 S+ 0 0 70 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.893 118.1 10.9 -61.7 -42.7 -0.3 5.5 78.5 38 53 A N G < S+ 0 0 20 -3,-2.2 -1,-0.2 1,-0.1 -2,-0.2 -0.117 93.2 110.1-131.7 41.0 0.0 2.1 80.1 39 54 A N < - 0 0 11 -3,-0.5 2,-1.0 -4,-0.2 -3,-0.1 0.732 51.5-163.3 -86.1 -26.7 3.6 1.0 79.5 40 55 A F S S+ 0 0 11 -4,-0.3 2,-0.3 77,-0.1 -1,-0.1 0.013 76.0 52.0 65.4 -30.2 4.8 1.3 83.1 41 56 A Q + 0 0 0 -2,-1.0 8,-2.2 -10,-0.1 2,-0.3 -0.713 69.1 126.0-146.4 83.8 8.4 1.3 81.7 42 57 A M B -A 48 0A 6 -2,-0.3 74,-1.8 6,-0.3 75,-0.9 -0.998 38.6-136.1-147.9 147.2 9.7 3.6 79.0 43 58 A D > - 0 0 33 4,-2.6 3,-1.8 -2,-0.3 72,-0.1 -0.285 42.6 -88.9 -95.5-177.1 12.6 6.1 78.4 44 59 A K T 3 S+ 0 0 166 1,-0.3 71,-0.1 70,-0.3 -1,-0.1 0.636 124.7 56.6 -70.7 -13.8 12.6 9.5 76.8 45 60 A N T 3 S- 0 0 108 2,-0.2 -1,-0.3 3,-0.0 3,-0.1 0.064 119.4-105.9-104.2 22.8 13.2 8.0 73.3 46 61 A N S < S+ 0 0 122 -3,-1.8 2,-0.3 1,-0.2 -2,-0.1 0.547 76.0 139.9 68.4 8.6 10.0 5.8 73.5 47 62 A K - 0 0 146 1,-0.1 -4,-2.6 -5,-0.0 -1,-0.2 -0.673 55.8-113.1 -87.4 137.5 12.2 2.7 74.1 48 63 A L B -A 42 0A 50 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.3 -0.373 24.6-148.8 -68.3 143.3 11.0 0.1 76.6 49 64 A L - 0 0 33 -8,-2.2 2,-0.4 -2,-0.1 -8,-0.1 -0.835 9.7-148.1-105.4 151.2 13.0 -0.4 79.8 50 65 A E + 0 0 63 -2,-0.3 -26,-0.0 1,-0.1 -8,-0.0 -0.974 30.8 154.8-125.2 138.1 13.1 -3.8 81.4 51 66 A Y S > S+ 0 0 5 -2,-0.4 3,-1.2 2,-0.1 4,-0.3 0.568 72.1 63.0-126.6 -35.4 13.5 -4.7 85.2 52 67 A F G > S+ 0 0 2 1,-0.2 3,-1.9 2,-0.2 4,-0.4 0.829 89.4 73.8 -66.5 -27.3 12.0 -8.1 85.6 53 68 A K G > S+ 0 0 82 1,-0.3 3,-0.8 2,-0.2 -1,-0.2 0.787 86.9 63.3 -52.9 -30.3 14.7 -9.5 83.3 54 69 A F G < S+ 0 0 37 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.766 109.0 39.2 -68.1 -21.4 17.2 -9.1 86.1 55 70 A F G < S+ 0 0 13 -3,-1.9 -1,-0.2 -4,-0.3 -2,-0.2 0.330 103.2 73.8-114.4 4.3 15.4 -11.6 88.3 56 71 A V < - 0 0 15 -3,-0.8 -1,-0.1 -4,-0.4 4,-0.1 -0.986 60.7-156.0-130.2 122.4 14.3 -14.2 85.9 57 72 A P S S+ 0 0 127 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.620 73.2 31.5 -72.8 -19.4 16.8 -16.8 84.4 58 73 A K S S- 0 0 160 0, 0.0 2,-0.1 0, 0.0 0, 0.0 -0.929 90.0 -87.7-138.3 159.1 14.8 -17.6 81.2 59 74 A K - 0 0 156 -2,-0.3 2,-0.4 1,-0.0 -34,-0.1 -0.438 52.6-146.9 -55.4 138.9 12.4 -16.2 78.6 60 75 A I - 0 0 31 -36,-0.1 2,-0.4 -2,-0.1 -32,-0.1 -0.945 20.1-176.5-121.6 139.3 9.0 -16.9 80.0 61 76 A K + 0 0 200 -2,-0.4 2,-0.3 -33,-0.0 -36,-0.1 -0.999 6.3 174.5-130.0 137.9 5.7 -17.6 78.3 62 77 A R - 0 0 85 -2,-0.4 -2,-0.0 -40,-0.1 597,-0.0 -0.860 40.8 -80.5-130.6 168.6 2.2 -18.1 79.9 63 78 A S > - 0 0 50 -2,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.264 45.6-109.7 -62.4 157.0 -1.4 -18.6 78.6 64 79 A P H > S+ 0 0 33 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.883 119.7 52.5 -58.5 -39.0 -3.2 -15.5 77.4 65 80 A C H > S+ 0 0 2 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.927 110.7 47.1 -63.2 -44.1 -5.5 -15.6 80.4 66 81 A I H > S+ 0 0 23 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.945 112.8 48.7 -63.4 -48.3 -2.6 -15.8 82.8 67 82 A N H X S+ 0 0 2 -4,-2.8 4,-2.4 2,-0.2 5,-0.2 0.900 111.2 50.2 -55.7 -44.6 -0.8 -12.9 81.1 68 83 A R H X S+ 0 0 4 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.927 110.6 50.2 -62.6 -41.4 -3.9 -10.8 81.1 69 84 A G H X S+ 0 0 1 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.847 111.5 48.3 -64.2 -36.4 -4.4 -11.5 84.8 70 85 A Y H X S+ 0 0 20 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.863 109.2 51.5 -75.5 -33.9 -0.8 -10.5 85.6 71 86 A W H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.955 111.1 50.0 -61.8 -44.5 -1.0 -7.3 83.5 72 87 A L H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.850 108.5 52.4 -60.6 -36.1 -4.1 -6.6 85.6 73 88 A R H X S+ 0 0 16 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.890 109.9 47.8 -68.1 -41.7 -2.2 -7.3 88.8 74 89 A L H X S+ 0 0 20 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.921 113.4 48.7 -61.2 -43.9 0.6 -4.9 87.8 75 90 A F H X S+ 0 0 27 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.852 106.3 59.4 -64.4 -33.9 -2.2 -2.3 86.9 76 91 A A H X S+ 0 0 0 -4,-2.1 4,-1.7 -5,-0.2 -2,-0.2 0.960 111.5 36.4 -62.2 -54.2 -3.8 -3.0 90.3 77 92 A I H X S+ 0 0 6 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.944 118.1 51.3 -66.0 -46.4 -0.8 -2.0 92.4 78 93 A R H X S+ 0 0 22 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.917 108.9 50.8 -58.8 -44.5 0.3 0.9 90.1 79 94 A S H X S+ 0 0 8 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.899 111.0 48.5 -60.8 -41.1 -3.2 2.4 90.1 80 95 A R H X S+ 0 0 3 -4,-1.7 4,-1.3 -5,-0.2 -1,-0.2 0.940 113.0 46.9 -66.9 -44.2 -3.4 2.4 93.9 81 96 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 3,-0.5 0.918 109.8 54.8 -61.2 -43.8 0.0 4.0 94.2 82 97 A N H X S+ 0 0 34 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.905 104.2 54.6 -53.7 -43.3 -0.9 6.6 91.6 83 98 A S H X S+ 0 0 5 -4,-2.0 4,-0.9 1,-0.2 -1,-0.2 0.840 112.6 43.3 -62.7 -31.8 -3.9 7.6 93.6 84 99 A I H X S+ 0 0 0 -4,-1.3 4,-2.2 -3,-0.5 -2,-0.2 0.899 114.7 47.3 -80.4 -43.2 -1.8 8.2 96.6 85 100 A I H < S+ 0 0 6 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.860 112.2 51.8 -65.8 -36.0 1.0 10.0 94.8 86 101 A E H < S+ 0 0 104 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.801 117.5 36.2 -71.4 -31.4 -1.5 12.2 93.0 87 102 A Q H < S+ 0 0 67 -4,-0.9 -2,-0.2 -5,-0.2 -1,-0.2 0.771 94.3 90.5 -96.6 -30.1 -3.4 13.3 96.1 88 103 A T S < S- 0 0 11 -4,-2.2 6,-0.0 -5,-0.1 4,-0.0 -0.524 92.0 -98.2 -71.9 130.9 -0.6 13.6 98.7 89 104 A P > - 0 0 72 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 -0.179 33.0-120.8 -48.7 138.1 1.0 17.2 98.9 90 105 A Q T 3 S+ 0 0 174 1,-0.3 -2,-0.1 -4,-0.1 -3,-0.0 0.520 107.5 62.5 -70.8 -4.7 4.2 17.2 96.9 91 106 A D T 3 S+ 0 0 137 2,-0.1 2,-0.3 33,-0.0 -1,-0.3 0.532 85.5 96.7 -92.1 -6.9 6.3 18.2 99.9 92 107 A K S < S- 0 0 54 -3,-2.1 2,-0.3 1,-0.0 110,-0.1 -0.631 74.1-125.4 -88.6 137.4 5.5 15.0 101.8 93 108 A K E -b 202 0B 105 108,-0.5 110,-2.6 -2,-0.3 2,-0.4 -0.597 23.5-162.1 -70.0 138.4 7.7 11.9 101.9 94 109 A I E -bc 203 125B 0 30,-2.3 32,-2.8 -2,-0.3 2,-0.5 -0.994 1.3-163.3-121.3 130.5 5.9 8.7 100.9 95 110 A V E -bc 204 126B 5 108,-2.5 110,-2.6 -2,-0.4 2,-0.6 -0.975 6.0-154.7-118.4 121.3 7.4 5.4 101.9 96 111 A V E -bc 205 127B 3 30,-2.9 32,-2.9 -2,-0.5 2,-0.7 -0.853 9.9-165.2 -96.4 117.8 6.2 2.2 100.2 97 112 A V E -bc 206 128B 0 108,-2.7 110,-2.7 -2,-0.6 2,-0.8 -0.911 5.6-155.3-110.5 108.5 6.7 -0.8 102.4 98 113 A N E > -bc 207 129B 4 30,-2.9 32,-2.4 -2,-0.7 2,-0.8 -0.780 4.7-154.1 -97.5 112.0 6.4 -4.0 100.5 99 114 A L E 3 S+ c 0 130B 0 108,-3.0 110,-0.3 -2,-0.8 113,-0.3 -0.747 84.0 3.1 -92.8 107.0 5.4 -6.9 102.8 100 115 A G T 3 S+ 0 0 0 30,-2.2 -1,-0.3 -2,-0.8 31,-0.2 0.937 82.5 174.9 79.0 55.2 6.7 -10.1 101.3 101 116 A C X - 0 0 0 29,-2.0 3,-1.9 -3,-0.7 30,-0.1 0.661 7.0-175.5 -71.7 -20.5 8.3 -8.4 98.4 102 117 A G T 3 - 0 0 0 1,-0.2 -1,-0.2 28,-0.2 -2,-0.1 -0.251 67.8 -37.3 49.5-144.4 10.0 -11.4 96.8 103 118 A Y T 3 S+ 0 0 27 -87,-0.1 -1,-0.2 -48,-0.1 -2,-0.1 0.249 89.7 151.3 -90.5 12.9 12.1 -10.3 93.9 104 119 A D < - 0 0 4 -3,-1.9 -84,-0.0 1,-0.2 -3,-0.0 -0.239 33.5-160.6 -50.5 117.7 9.6 -7.6 92.8 105 120 A P >> + 0 0 0 0, 0.0 4,-2.3 0, 0.0 3,-0.9 0.217 53.0 121.7 -85.2 13.7 11.7 -4.8 91.1 106 121 A L H 3> + 0 0 21 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.863 69.7 54.3 -45.4 -45.9 8.9 -2.2 91.6 107 122 A P H 3> S+ 0 0 2 0, 0.0 4,-2.3 0, 0.0 -1,-0.3 0.902 111.8 45.2 -59.8 -37.3 11.2 0.2 93.6 108 123 A F H <> S+ 0 0 0 -3,-0.9 4,-1.7 2,-0.2 -2,-0.2 0.914 111.5 51.6 -71.9 -41.6 13.7 0.2 90.8 109 124 A Q H < S+ 0 0 6 -4,-2.3 -1,-0.2 1,-0.2 -3,-0.2 0.890 116.9 41.0 -56.9 -41.8 11.1 0.6 88.1 110 125 A L H < S+ 0 0 0 -4,-2.6 11,-0.2 -5,-0.2 -2,-0.2 0.816 116.9 45.3 -81.2 -33.3 9.7 3.6 90.0 111 126 A L H < S+ 0 0 12 -4,-2.3 2,-0.4 -5,-0.2 -2,-0.2 0.685 82.1 111.3 -83.9 -20.1 13.0 5.2 91.2 112 127 A D >< - 0 0 16 -4,-1.7 3,-1.7 -5,-0.2 6,-0.2 -0.395 55.5-156.9 -61.7 112.1 14.8 5.0 87.8 113 128 A T T 3 S+ 0 0 106 -2,-0.4 -1,-0.2 1,-0.3 9,-0.1 0.697 92.4 64.8 -65.9 -16.6 15.1 8.5 86.4 114 129 A N T 3 S+ 0 0 89 1,-0.1 2,-1.3 -71,-0.1 -70,-0.3 0.744 84.1 85.0 -69.6 -24.4 15.4 7.0 82.9 115 130 A N X - 0 0 0 -3,-1.7 3,-1.7 1,-0.2 -72,-0.2 -0.656 57.1-178.0 -82.8 96.6 11.9 5.8 83.3 116 131 A I G > S+ 0 0 72 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91.4 146 161 A I >X - 0 0 25 -4,-1.2 4,-2.5 -3,-0.4 3,-0.9 -0.925 68.5-151.7-108.5 114.0 23.9 -5.6 88.5 147 162 A P H 3> S+ 0 0 57 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.834 92.1 55.1 -55.8 -41.1 25.1 -2.1 87.5 148 163 A E H 3> S+ 0 0 94 2,-0.2 4,-1.0 1,-0.2 -5,-0.1 0.845 113.9 40.6 -62.3 -36.5 21.6 -0.9 86.3 149 164 A L H <> S+ 0 0 0 -3,-0.9 4,-1.2 -7,-0.2 -1,-0.2 0.914 114.2 51.7 -79.8 -43.9 20.0 -1.7 89.6 150 165 A S H <>S+ 0 0 1 -4,-2.5 5,-2.4 -7,-0.4 4,-0.5 0.888 107.5 54.1 -56.8 -41.1 22.9 -0.4 91.8 151 166 A K H ><5S+ 0 0 121 -4,-2.4 3,-0.9 -5,-0.2 -1,-0.2 0.877 100.8 59.5 -64.3 -39.1 22.9 2.9 89.9 152 167 A I H 3<5S+ 0 0 32 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.868 114.5 35.2 -58.3 -35.4 19.2 3.5 90.6 153 168 A I T 3<5S- 0 0 10 -4,-1.2 21,-0.3 -3,-0.4 -1,-0.2 0.275 118.7-104.3-109.0 9.9 19.8 3.4 94.3 154 169 A G T < 5S+ 0 0 68 -3,-0.9 -3,-0.2 -4,-0.5 2,-0.1 0.616 72.3 137.3 86.9 14.1 23.2 5.1 94.4 155 170 A L < - 0 0 48 -5,-2.4 -1,-0.2 -6,-0.2 2,-0.1 -0.387 67.1 -74.3 -83.1 167.1 25.4 2.0 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12.5 2.6 110.3 196 211 A Q T X 5 + 0 0 124 -3,-1.6 3,-1.5 -5,-0.1 -3,-0.2 0.811 54.9 153.9 58.6 34.9 10.8 5.5 112.1 197 212 A L T 3 < + 0 0 7 -5,-2.4 -4,-0.1 1,-0.3 -1,-0.1 0.486 56.2 78.6 -75.5 -1.4 7.6 4.8 110.4 198 213 A Y T 3 + 0 0 119 -6,-0.3 33,-0.3 -5,-0.1 -1,-0.3 0.553 62.3 118.0 -80.3 -9.1 5.7 6.4 113.3 199 214 A D X - 0 0 61 -3,-1.5 3,-1.7 1,-0.2 31,-0.0 -0.454 55.9-155.7 -61.9 114.8 6.5 9.9 111.9 200 215 A P T 3 S+ 0 0 74 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.671 89.1 66.5 -70.7 -15.1 3.1 11.5 111.1 201 216 A N T 3 S+ 0 0 101 2,-0.1 -108,-0.5 -109,-0.0 2,-0.5 0.525 92.8 73.8 -82.4 -3.2 4.7 13.8 108.6 202 217 A V E < S-b 93 0B 14 -3,-1.7 2,-0.5 29,-0.2 -108,-0.2 -0.935 78.0-138.9-113.8 128.0 5.5 10.8 106.4 203 218 A V E -b 94 0B 6 -110,-2.6 -108,-2.5 -2,-0.5 2,-0.3 -0.752 20.2-154.2 -86.0 127.7 2.8 8.9 104.5 204 219 A K E -bf 95 233B 0 28,-2.1 30,-2.2 -2,-0.5 2,-0.4 -0.785 11.5-167.6-100.4 144.3 3.2 5.2 104.6 205 220 A V E -bf 96 234B 0 -110,-2.6 -108,-2.7 -2,-0.3 2,-0.4 -0.893 7.9-164.3-130.7 103.7 1.9 2.7 102.0 206 221 A F E -bf 97 235B 0 28,-2.9 30,-3.4 -2,-0.4 2,-0.4 -0.746 8.0-165.6 -86.2 128.8 2.0 -0.9 103.2 207 222 A V E +bf 98 236B 2 -110,-2.7 -108,-3.0 -2,-0.4 2,-0.4 -0.966 16.4 179.1-120.3 128.8 1.6 -3.4 100.3 208 223 A A E - f 0 237B 0 28,-2.9 30,-2.4 -2,-0.4 2,-1.0 -0.818 10.0-178.1-127.5 90.0 0.8 -7.1 100.7 209 224 A E E S- f 0 238B 3 -2,-0.4 30,-0.2 -110,-0.3 28,-0.1 -0.800 73.5 -40.5 -97.8 102.0 0.6 -8.6 97.2 210 225 A V S S+ 0 0 4 28,-3.4 -1,-0.2 -2,-1.0 29,-0.1 0.907 120.3 99.1 41.8 56.5 -0.3 -12.3 97.5 211 226 A S S > S+ 0 0 0 27,-0.2 3,-1.7 -3,-0.2 4,-0.2 0.577 74.9 45.5-130.4 -60.9 2.1 -12.6 100.5 212 227 A L G > S+ 0 0 0 1,-0.3 3,-1.7 -113,-0.3 55,-0.2 0.706 97.2 82.3 -57.3 -22.4 -0.0 -12.4 103.7 213 228 A A G 3 S+ 0 0 4 1,-0.3 54,-1.4 25,-0.2 53,-1.3 0.806 87.7 52.9 -51.4 -33.4 -2.3 -14.9 101.8 214 229 A Y G < S+ 0 0 10 -3,-1.7 -1,-0.3 51,-0.2 2,-0.2 0.591 95.8 88.9 -82.0 -10.1 -0.0 -17.7 102.9 215 230 A M S < S- 0 0 3 -3,-1.7 52,-0.4 -4,-0.2 51,-0.1 -0.555 88.9 -99.6 -92.1 150.7 -0.1 -16.8 106.5 216 231 A K >> - 0 0 124 -2,-0.2 4,-2.5 50,-0.1 3,-1.0 -0.397 40.1-112.4 -58.5 145.2 -2.6 -18.0 109.1 217 232 A P H 3> S+ 0 0 28 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.829 117.3 56.2 -54.3 -37.3 -5.3 -15.3 109.7 218 233 A E H 3> S+ 0 0 139 2,-0.2 4,-1.1 1,-0.2 5,-0.1 0.875 112.3 42.5 -62.4 -35.9 -4.1 -14.6 113.2 219 234 A R H <> S+ 0 0 70 -3,-1.0 4,-1.4 2,-0.2 -1,-0.2 0.914 116.2 44.8 -79.3 -45.3 -0.6 -13.9 111.9 220 235 A S H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 3,-0.2 0.910 113.2 52.8 -64.6 -39.5 -1.6 -11.8 108.8 221 236 A D H X S+ 0 0 17 -4,-2.5 4,-2.7 -5,-0.3 -1,-0.2 0.855 104.0 56.8 -63.9 -34.4 -4.1 -9.9 111.0 222 237 A S H X S+ 0 0 35 -4,-1.1 4,-2.0 2,-0.2 -1,-0.2 0.850 107.3 48.6 -64.6 -36.0 -1.3 -9.1 113.5 223 238 A I H X S+ 0 0 0 -4,-1.4 4,-1.9 -3,-0.2 -2,-0.2 0.943 111.6 48.7 -66.5 -48.5 0.7 -7.5 110.8 224 239 A I H X S+ 0 0 0 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.935 112.6 48.8 -57.4 -47.0 -2.2 -5.4 109.6 225 240 A E H X S+ 0 0 83 -4,-2.7 4,-0.6 1,-0.2 -1,-0.2 0.895 107.1 55.3 -64.8 -37.1 -3.0 -4.3 113.1 226 241 A A H >< S+ 0 0 14 -4,-2.0 3,-0.9 1,-0.2 -1,-0.2 0.901 108.4 48.3 -61.9 -38.5 0.6 -3.3 113.8 227 242 A T H >< S+ 0 0 0 -4,-1.9 3,-2.0 1,-0.2 -1,-0.2 0.786 97.2 71.2 -73.3 -23.9 0.7 -1.0 110.8 228 243 A S H 3< S+ 0 0 14 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.755 89.0 63.2 -63.6 -23.0 -2.6 0.6 111.8 229 244 A K T << S+ 0 0 144 -3,-0.9 2,-0.8 -4,-0.6 -1,-0.3 0.439 80.1 94.7 -82.8 -1.3 -0.8 2.3 114.7 230 245 A M S < S- 0 0 15 -3,-2.0 3,-0.2 -4,-0.1 -26,-0.1 -0.838 85.1-121.0 -94.1 110.1 1.4 4.3 112.2 231 246 A E S S+ 0 0 97 -2,-0.8 -27,-0.2 -33,-0.3 -29,-0.2 -0.184 89.5 15.9 -53.0 135.4 -0.2 7.7 111.7 232 247 A N S S+ 0 0 35 103,-0.2 -28,-2.1 1,-0.2 2,-0.3 0.963 90.9 153.2 65.8 58.4 -1.2 8.4 108.1 233 248 A S E -f 204 0B 0 -3,-0.2 102,-1.7 -30,-0.2 2,-0.3 -0.895 33.6-156.6-121.2 149.9 -0.9 5.0 106.6 234 249 A H E -fG 205 334B 0 -30,-2.2 -28,-2.9 -2,-0.3 2,-0.4 -0.872 7.0-158.2-112.7 150.8 -2.4 3.1 103.7 235 250 A F E -fG 206 333B 0 98,-2.7 98,-2.9 -2,-0.3 2,-0.6 -0.981 7.2-173.3-130.3 120.8 -2.7 -0.7 103.4 236 251 A I E -fG 207 332B 0 -30,-3.4 -28,-2.9 -2,-0.4 2,-0.4 -0.958 7.0-179.5-116.1 116.6 -3.0 -2.3 100.0 237 252 A I E -fG 208 331B 0 94,-2.6 94,-2.7 -2,-0.6 2,-0.5 -0.950 10.2-175.1-119.8 135.8 -3.7 -6.0 100.0 238 253 A L E +fG 209 330B 1 -30,-2.4 -28,-3.4 -2,-0.4 2,-0.3 -0.983 33.1 124.8-130.3 113.0 -4.1 -8.1 96.8 239 254 A E E - G 0 329B 2 90,-1.3 90,-3.2 -2,-0.5 2,-0.1 -0.958 54.3 -61.1-162.6 179.0 -5.0 -11.7 97.5 240 255 A Q E - G 0 328B 1 -2,-0.3 2,-0.3 88,-0.2 88,-0.3 -0.321 35.6-166.5 -80.2 151.8 -7.4 -14.6 96.9 241 256 A L - 0 0 1 86,-2.1 32,-0.2 -2,-0.1 31,-0.2 -0.851 18.3-160.6-120.0 161.3 -11.1 -14.8 97.7 242 257 A I > + 0 0 0 30,-2.0 3,-2.5 -2,-0.3 85,-0.1 -0.597 20.9 176.8-134.5 72.9 -13.5 -17.8 97.8 243 258 A P T 3 S+ 0 0 37 0, 0.0 30,-0.1 0, 0.0 29,-0.1 0.707 78.9 34.8 -57.4 -27.6 -16.7 -15.7 97.6 244 259 A K T 3 S- 0 0 83 1,-0.4 3,-0.3 28,-0.1 362,-0.1 0.010 123.7 -90.9-115.8 24.0 -19.0 -18.8 97.5 245 260 A G X - 0 0 13 -3,-2.5 3,-1.1 1,-0.2 -1,-0.4 -0.118 53.4 -59.2 91.1 172.4 -17.0 -21.1 99.8 246 261 A P T 3 S+ 0 0 53 0, 0.0 -1,-0.2 0, 0.0 9,-0.1 0.482 125.4 57.4 -73.9 -4.5 -14.3 -23.7 99.3 247 262 A F T 3 + 0 0 81 -3,-0.3 -2,-0.1 -5,-0.1 6,-0.0 0.418 69.2 120.1-109.6 -1.2 -16.4 -25.9 97.0 248 263 A E S <> S- 0 0 4 -3,-1.1 4,-3.0 1,-0.1 5,-0.3 -0.326 80.8-103.4 -54.0 146.7 -17.2 -23.5 94.2 249 264 A P H > S+ 0 0 19 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.907 117.8 31.2 -42.8 -65.0 -15.8 -24.9 90.9 250 265 A F H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.924 118.6 55.3 -63.9 -46.4 -12.8 -22.6 90.5 251 266 A S H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.894 105.0 53.4 -54.0 -43.1 -12.3 -22.2 94.3 252 267 A K H X S+ 0 0 59 -4,-3.0 4,-1.8 1,-0.2 -1,-0.2 0.943 113.0 42.8 -59.7 -47.5 -12.1 -25.9 94.9 253 268 A Q H X S+ 0 0 45 -4,-1.5 4,-2.3 -5,-0.3 -1,-0.2 0.902 113.6 52.3 -65.9 -43.3 -9.3 -26.3 92.2 254 269 A M H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 5,-0.2 0.943 110.1 46.3 -59.4 -51.5 -7.5 -23.2 93.5 255 270 A L H X S+ 0 0 30 -4,-2.7 4,-2.0 1,-0.2 10,-0.2 0.890 113.7 49.3 -60.4 -39.8 -7.3 -24.3 97.1 256 271 A A H X S+ 0 0 28 -4,-1.8 4,-2.7 -5,-0.3 -1,-0.2 0.905 108.3 54.0 -68.2 -39.9 -6.2 -27.8 96.1 257 272 A H H X S+ 0 0 52 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.921 110.6 44.8 -59.5 -47.4 -3.4 -26.4 93.8 258 273 A F H <>S+ 0 0 16 -4,-2.1 5,-2.5 1,-0.2 -1,-0.2 0.893 113.0 51.7 -68.2 -35.4 -1.9 -24.3 96.5 259 274 A K H ><5S+ 0 0 152 -4,-2.0 3,-1.8 1,-0.2 -2,-0.2 0.925 107.1 53.1 -64.3 -42.7 -2.1 -27.1 99.0 260 275 A R H 3<5S+ 0 0 192 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.798 106.4 53.0 -64.8 -28.0 -0.4 -29.5 96.6 261 276 A N T 3<5S- 0 0 94 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.315 116.4-116.5 -88.6 11.6 2.5 -27.0 96.3 262 277 A D T < 5S+ 0 0 74 -3,-1.8 -3,-0.2 1,-0.1 -2,-0.1 0.807 92.7 101.6 56.6 33.2 2.9 -26.9 100.1 263 278 A S < - 0 0 4 -5,-2.5 -4,-0.1 -6,-0.1 -3,-0.1 -0.534 59.2-169.9-136.6 66.7 1.9 -23.2 100.1 264 279 A P - 0 0 50 0, 0.0 2,-1.0 0, 0.0 -9,-0.1 -0.251 28.9-116.3 -66.1 147.0 -1.7 -23.4 101.3 265 280 A L + 0 0 6 -10,-0.2 -51,-0.2 1,-0.2 4,-0.2 -0.736 45.9 165.2 -79.8 106.3 -4.0 -20.3 101.2 266 281 A Q > + 0 0 60 -53,-1.3 3,-0.8 -2,-1.0 4,-0.4 0.857 62.3 51.6 -97.4 -41.0 -4.7 -19.9 104.9 267 282 A S G >> S+ 0 0 0 -54,-1.4 4,-2.4 -52,-0.4 3,-1.5 0.842 100.1 64.7 -69.5 -29.6 -6.1 -16.4 105.4 268 283 A V G 34 S+ 0 0 6 -55,-0.4 -26,-0.2 1,-0.3 -1,-0.2 0.745 88.7 69.0 -66.6 -22.4 -8.8 -16.8 102.7 269 284 A L G <4 S+ 0 0 103 -3,-0.8 -1,-0.3 1,-0.2 3,-0.2 0.763 111.9 32.0 -66.9 -26.1 -10.4 -19.6 104.8 270 285 A K T <4 S+ 0 0 113 -3,-1.5 2,-0.9 -4,-0.4 -2,-0.2 0.786 124.2 46.4 -92.8 -39.7 -11.4 -16.9 107.3 271 286 A Y < + 0 0 15 -4,-2.4 -1,-0.2 1,-0.2 -29,-0.2 -0.658 64.5 156.1-108.7 79.3 -11.9 -14.1 104.8 272 287 A N + 0 0 47 -2,-0.9 -30,-2.0 -3,-0.2 2,-0.2 0.796 56.4 37.9 -69.6 -32.3 -13.9 -15.6 102.0 273 288 A T S > S- 0 0 47 -32,-0.2 4,-1.4 -31,-0.1 5,-0.1 -0.732 79.5-107.4-128.7 165.2 -15.5 -12.4 100.6 274 289 A I H > S+ 0 0 38 -2,-0.2 4,-1.7 1,-0.2 3,-0.5 0.925 120.4 50.8 -53.6 -47.5 -15.1 -8.7 99.7 275 290 A E H > S+ 0 0 92 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.884 104.4 57.1 -63.5 -35.8 -17.4 -7.8 102.7 276 291 A S H > S+ 0 0 25 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.836 104.8 52.9 -64.6 -30.7 -15.3 -9.9 105.0 277 292 A Q H X S+ 0 0 0 -4,-1.4 4,-2.6 -3,-0.5 5,-0.2 0.885 106.4 52.2 -71.6 -37.9 -12.2 -7.9 104.0 278 293 A V H X S+ 0 0 7 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.957 112.5 45.1 -60.9 -47.5 -14.0 -4.6 104.8 279 294 A Q H X S+ 0 0 108 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.903 111.6 54.3 -64.3 -39.0 -14.9 -5.9 108.3 280 295 A R H X S+ 0 0 5 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.946 110.6 43.8 -56.9 -53.2 -11.4 -7.3 108.8 281 296 A F H <>S+ 0 0 0 -4,-2.6 5,-2.7 1,-0.2 -1,-0.2 0.899 112.6 52.4 -65.0 -38.5 -9.7 -3.9 108.1 282 297 A N H ><5S+ 0 0 64 -4,-2.3 3,-1.4 -5,-0.2 -1,-0.2 0.939 110.4 48.3 -60.8 -47.8 -12.2 -2.0 110.2 283 298 A K H 3<5S+ 0 0 162 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.850 109.3 54.1 -59.3 -36.2 -11.6 -4.3 113.1 284 299 A L T 3<5S- 0 0 10 -4,-1.9 -1,-0.3 -5,-0.2 -56,-0.2 0.239 129.3 -87.6 -90.5 11.8 -7.8 -4.0 112.7 285 300 A G T < 5S+ 0 0 40 -3,-1.4 2,-0.6 1,-0.2 -3,-0.2 0.583 92.8 114.1 101.8 11.2 -7.8 -0.2 112.9 286 301 A F < + 0 0 0 -5,-2.7 49,-0.2 -6,-0.1 -1,-0.2 -0.931 34.6 177.4-113.0 104.5 -8.3 1.0 109.3 287 302 A A + 0 0 64 -2,-0.6 2,-0.6 47,-0.2 48,-0.2 0.667 62.4 66.5 -81.6 -19.7 -11.7 2.7 109.2 288 303 A Y E +H 334 0B 81 46,-1.7 46,-2.6 -7,-0.1 2,-0.4 -0.922 65.0 174.1-114.5 116.9 -11.6 3.8 105.5 289 304 A V E -H 333 0B 17 -2,-0.6 2,-0.5 44,-0.2 44,-0.2 -0.979 21.4-176.8-133.6 131.6 -11.8 1.1 102.9 290 305 A N E +H 332 0B 1 42,-3.0 42,-2.9 -2,-0.4 2,-0.4 -0.978 27.8 163.2-122.6 116.0 -12.1 1.0 99.2 291 306 A V E +H 331 0B 0 -2,-0.5 2,-0.3 56,-0.2 40,-0.2 -0.981 9.6 145.2-142.9 142.6 -12.3 -2.6 97.9 292 307 A G E -H 330 0B 0 38,-1.9 38,-3.0 -2,-0.4 2,-0.1 -0.963 41.3 -98.5-158.3 173.1 -13.3 -4.5 94.8 293 308 A D E >> -H 329 0B 13 -2,-0.3 4,-1.3 36,-0.2 3,-0.6 -0.450 45.4 -93.8 -95.7 178.7 -12.4 -7.6 92.8 294 309 A M H 3> S+ 0 0 3 34,-1.6 4,-2.4 31,-1.6 32,-0.2 0.750 120.3 60.5 -68.1 -22.8 -10.2 -7.8 89.7 295 310 A F H 3> S+ 0 0 0 30,-0.4 4,-2.5 2,-0.2 -1,-0.3 0.899 102.0 53.3 -72.7 -33.1 -13.1 -7.6 87.3 296 311 A Q H <> S+ 0 0 41 -3,-0.6 4,-1.2 2,-0.2 -1,-0.2 0.871 108.1 51.8 -61.5 -35.8 -14.1 -4.2 88.7 297 312 A L H X S+ 0 0 0 -4,-1.3 4,-0.8 2,-0.2 3,-0.3 0.930 109.8 48.9 -64.9 -45.6 -10.4 -3.2 88.1 298 313 A W H >< S+ 0 0 0 -4,-2.4 3,-0.9 1,-0.2 -2,-0.2 0.903 109.6 51.5 -58.3 -43.2 -10.7 -4.4 84.4 299 314 A E H 3< S+ 0 0 85 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.800 106.6 56.7 -65.2 -26.2 -14.0 -2.5 84.0 300 315 A S H 3< S+ 0 0 56 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.622 79.3 106.7 -84.3 -14.9 -12.3 0.6 85.3 301 316 A A S << S- 0 0 9 -3,-0.9 5,-0.0 -4,-0.8 -3,-0.0 -0.398 80.9-108.6 -60.9 139.6 -9.5 0.6 82.7 302 317 A D > - 0 0 96 1,-0.1 4,-2.2 -2,-0.1 3,-0.3 -0.309 27.5-106.8 -72.3 162.3 -10.1 3.4 80.2 303 318 A E H > S+ 0 0 169 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.855 116.1 54.3 -58.5 -44.1 -11.3 2.5 76.7 304 319 A A H > S+ 0 0 67 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.901 111.9 46.6 -59.5 -40.0 -8.0 3.3 74.9 305 320 A T H > S+ 0 0 1 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.913 111.5 50.8 -66.7 -44.8 -6.2 0.9 77.3 306 321 A K H X S+ 0 0 17 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.934 108.2 53.5 -57.8 -47.6 -8.9 -1.7 76.8 307 322 A K H X S+ 0 0 143 -4,-3.2 4,-0.8 1,-0.2 -1,-0.2 0.904 112.3 43.5 -54.9 -47.7 -8.6 -1.4 73.1 308 323 A E H >X S+ 0 0 49 -4,-1.9 4,-0.7 1,-0.2 3,-0.7 0.900 109.9 55.9 -66.2 -42.1 -4.8 -2.0 73.2 309 324 A L H >X S+ 0 0 2 -4,-2.6 3,-1.1 1,-0.3 4,-0.5 0.912 104.0 53.7 -60.4 -41.1 -5.0 -4.8 75.7 310 325 A L H 3< S+ 0 0 39 -4,-2.3 -1,-0.3 1,-0.2 3,-0.2 0.792 109.7 50.2 -61.5 -27.6 -7.4 -6.8 73.4 311 326 A K H << S+ 0 0 162 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.2 0.533 85.8 87.3 -89.6 -8.5 -4.8 -6.5 70.6 312 327 A V H << S- 0 0 6 -3,-1.1 -1,-0.2 -4,-0.7 -2,-0.1 0.923 106.8 -22.6 -60.3 -46.6 -1.8 -7.7 72.6 313 328 A E S < S- 0 0 36 -4,-0.5 -1,-0.2 -3,-0.2 2,-0.1 -0.977 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0.174 68.9 83.3-105.4 19.0 -42.6 -52.2 28.0 684 12 B K - 0 0 61 -3,-0.1 2,-0.1 -4,-0.1 0, 0.0 -0.906 68.9-126.1-121.2 149.5 -43.7 -49.4 25.7 685 13 B N > - 0 0 92 -2,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.296 42.6 -89.2 -82.7 175.3 -46.7 -49.1 23.4 686 14 B V H > S+ 0 0 109 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.869 126.7 45.8 -55.3 -40.6 -46.5 -48.2 19.7 687 15 B K H > S+ 0 0 56 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.863 112.6 49.2 -74.0 -37.0 -46.7 -44.4 20.3 688 16 B Q H > S+ 0 0 97 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.887 111.8 50.9 -65.8 -39.6 -44.2 -44.4 23.2 689 17 B E H X S+ 0 0 79 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.909 110.5 48.4 -63.7 -43.1 -41.9 -46.4 21.0 690 18 B R H X S+ 0 0 45 -4,-2.1 4,-2.2 -5,-0.2 5,-0.2 0.934 111.5 49.5 -63.6 -46.3 -42.3 -43.9 18.1 691 19 B R H X S+ 0 0 95 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.927 112.0 48.8 -55.9 -45.6 -41.6 -41.0 20.4 692 20 B K H X S+ 0 0 89 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.889 108.1 54.4 -66.3 -38.6 -38.5 -42.7 21.8 693 21 B K H X S+ 0 0 118 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.941 115.5 38.2 -57.8 -48.4 -37.2 -43.5 18.4 694 22 B Y H X S+ 0 0 18 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.832 110.6 59.0 -79.2 -29.6 -37.5 -39.8 17.3 695 23 B A H X S+ 0 0 19 -4,-2.8 4,-2.5 -5,-0.2 -1,-0.2 0.938 109.0 46.1 -57.7 -47.7 -36.3 -38.4 20.6 696 24 B D H X S+ 0 0 76 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.871 110.5 52.6 -64.1 -39.5 -33.0 -40.3 20.3 697 25 B L H < S+ 0 0 81 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.876 111.8 46.3 -64.9 -38.2 -32.7 -39.2 16.7 698 26 B A H >< S+ 0 0 0 -4,-2.3 3,-1.2 1,-0.2 5,-0.2 0.918 109.6 54.9 -65.9 -44.0 -33.1 -35.6 17.7 699 27 B I H >X S+ 0 0 33 -4,-2.5 4,-2.1 1,-0.3 3,-1.4 0.816 97.7 59.7 -64.6 -34.8 -30.6 -36.1 20.6 700 28 B Q T 3< S+ 0 0 148 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.1 0.115 116.7 39.8 -74.4 23.7 -27.9 -37.4 18.3 701 29 B G T <4 S+ 0 0 43 -3,-1.2 -2,-0.3 -5,-0.1 -1,-0.3 0.176 117.7 43.5-155.8 7.6 -28.7 -33.9 17.0 702 30 B T T X4 S+ 0 0 1 -3,-1.4 3,-1.9 3,-0.1 6,-0.7 0.337 81.7 119.3-129.8 -8.1 -29.1 -31.9 20.2 703 31 B N T 3< S- 0 0 91 -4,-2.1 3,-0.1 1,-0.3 4,-0.1 -0.398 95.6 -7.6 -56.0 129.0 -26.1 -33.5 22.1 704 32 B N T 3 S+ 0 0 142 1,-0.2 -1,-0.3 -2,-0.1 2,-0.1 0.689 113.9 128.8 54.8 17.3 -23.6 -30.7 23.0 705 33 B S S <> S- 0 0 29 -3,-1.9 4,-1.9 1,-0.1 -1,-0.2 -0.342 80.3 -96.7 -95.0 178.6 -25.7 -28.4 20.9 706 34 B S H > S+ 0 0 12 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.816 123.2 58.1 -61.7 -32.9 -27.3 -25.0 21.5 707 35 B I H > S+ 0 0 4 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.914 105.7 48.0 -68.2 -40.0 -30.5 -26.8 22.5 708 36 B A H > S+ 0 0 1 -6,-0.7 4,-1.6 2,-0.2 -1,-0.2 0.896 112.2 50.3 -65.0 -39.2 -28.8 -28.8 25.2 709 37 B S H X S+ 0 0 8 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.896 109.5 49.8 -67.1 -38.3 -27.2 -25.6 26.5 710 38 B K H X S+ 0 0 2 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.904 106.1 57.7 -64.9 -36.9 -30.5 -23.8 26.5 711 39 B R H X S+ 0 0 10 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.889 102.2 55.3 -57.6 -38.8 -31.9 -26.8 28.4 712 40 B S H X S+ 0 0 2 -4,-1.6 4,-2.6 1,-0.2 5,-0.4 0.911 109.1 46.2 -63.1 -40.8 -29.2 -26.2 31.1 713 41 B V H X>S+ 0 0 0 -4,-1.6 5,-1.9 2,-0.2 4,-1.4 0.877 108.4 56.1 -66.5 -40.4 -30.4 -22.6 31.5 714 42 B E H <5S+ 0 0 0 -4,-2.4 -2,-0.2 3,-0.2 -1,-0.2 0.896 114.6 40.7 -56.2 -43.6 -34.1 -23.7 31.6 715 43 B L H <5S+ 0 0 40 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.934 128.4 24.6 -72.7 -50.2 -33.2 -26.0 34.5 716 44 B L H <5S+ 0 0 45 -4,-2.6 4,-0.2 -5,-0.2 -3,-0.2 0.937 128.9 29.1 -87.0 -48.2 -30.8 -23.9 36.6 717 45 B Y T >X5S+ 0 0 2 -4,-1.4 3,-1.6 -5,-0.4 4,-0.8 0.919 107.8 58.8 -84.6 -49.6 -31.6 -20.2 35.8 718 46 B L G >4> - 0 0 52 -2,-0.2 3,-1.5 1,-0.1 4,-0.6 -0.113 45.0 -94.5 -63.7 170.2 -37.8 -12.7 38.4 723 51 B S H >> S+ 0 0 74 1,-0.3 3,-0.5 2,-0.2 4,-0.5 0.791 121.9 62.0 -63.1 -31.0 -40.7 -12.6 36.0 724 52 B A H 34 S+ 0 0 75 1,-0.2 -1,-0.3 2,-0.1 -2,-0.0 0.776 117.8 29.0 -63.9 -22.8 -39.0 -10.1 33.7 725 53 B N H <4 S+ 0 0 7 -3,-1.5 -1,-0.2 1,-0.1 -2,-0.2 0.305 99.9 76.7-126.0 7.5 -36.3 -12.6 33.0 726 54 B N H << - 0 0 10 -4,-0.6 2,-1.8 -3,-0.5 -3,-0.1 0.556 67.9-159.8-104.7 -8.3 -37.6 -16.1 33.3 727 55 B F < + 0 0 7 -4,-0.5 2,-0.3 77,-0.1 -1,-0.1 0.096 68.6 55.3 66.3 -27.5 -39.5 -16.2 30.0 728 56 B Q + 0 0 0 -2,-1.8 8,-1.2 -10,-0.1 2,-0.3 -0.874 60.6 133.4-149.4 109.6 -41.8 -19.1 30.9 729 57 B M B -L 735 0P 17 -2,-0.3 74,-2.1 6,-0.3 75,-0.8 -0.988 39.5-129.6-155.8 143.5 -44.2 -19.3 33.8 730 58 B D > - 0 0 26 4,-2.9 3,-1.8 -2,-0.3 72,-0.1 -0.330 40.8 -92.9 -89.7 176.5 -47.8 -20.2 34.4 731 59 B K T 3 S+ 0 0 168 70,-0.3 -1,-0.1 1,-0.3 71,-0.1 0.797 124.7 59.4 -61.0 -28.7 -50.5 -18.2 36.2 732 60 B N T 3 S- 0 0 99 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.243 119.7-109.5 -83.9 13.8 -49.7 -20.0 39.5 733 61 B N S < S+ 0 0 120 -3,-1.8 2,-0.3 1,-0.3 -2,-0.1 0.679 75.2 139.0 62.1 21.0 -46.1 -18.7 39.3 734 62 B K - 0 0 128 1,-0.1 -4,-2.9 0, 0.0 -1,-0.3 -0.736 57.6-110.3 -89.6 143.5 -44.8 -22.2 38.5 735 63 B L B -L 729 0P 48 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.3 -0.468 26.3-147.2 -74.0 144.3 -42.1 -22.5 35.8 736 64 B L - 0 0 31 -8,-1.2 2,-0.4 -2,-0.2 -8,-0.1 -0.829 9.0-145.3-106.6 150.2 -43.0 -24.1 32.5 737 65 B E + 0 0 62 -2,-0.3 -26,-0.0 1,-0.1 -8,-0.0 -0.962 30.6 155.6-121.2 135.7 -40.5 -26.1 30.5 738 66 B Y S > S+ 0 0 4 -2,-0.4 3,-1.7 2,-0.1 4,-0.3 0.640 72.1 62.3-123.4 -37.1 -40.1 -26.4 26.7 739 67 B F G >> S+ 0 0 4 1,-0.3 4,-2.6 2,-0.2 3,-2.1 0.853 91.4 72.7 -62.1 -29.2 -36.5 -27.3 26.0 740 68 B K G 34 S+ 0 0 71 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.741 84.1 68.5 -55.1 -22.8 -37.2 -30.6 27.9 741 69 B F G <4 S+ 0 0 16 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.722 115.4 23.8 -74.2 -19.0 -39.3 -31.7 24.9 742 70 B F T <4 S+ 0 0 4 -3,-2.1 -2,-0.2 -4,-0.3 -1,-0.2 0.627 136.3 32.7-115.7 -25.1 -36.2 -32.0 22.7 743 71 B V < + 0 0 5 -4,-2.6 -1,-0.2 1,-0.1 4,-0.2 -0.786 66.3 172.3-132.1 87.3 -33.6 -32.5 25.4 744 72 B P + 0 0 67 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.854 48.7 93.2 -66.1 -35.7 -35.2 -34.4 28.3 745 73 B K S S- 0 0 165 1,-0.1 2,-1.4 -5,-0.0 -2,-0.1 -0.017 88.7-106.0 -61.9 164.5 -32.0 -35.0 30.3 746 74 B K - 0 0 153 -31,-0.0 -1,-0.1 2,-0.0 -34,-0.0 -0.554 46.7-162.9 -92.3 72.9 -30.9 -32.6 33.1 747 75 B I - 0 0 28 -2,-1.4 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1,-0.2 -1,-0.2 0.872 112.8 51.5 -69.5 -34.7 -16.4 -26.1 14.5 944 274 B K H ><5S+ 0 0 147 -4,-2.0 3,-1.6 1,-0.2 -1,-0.2 0.906 108.0 52.1 -62.6 -43.1 -14.0 -27.6 11.9 945 275 B R H 3<5S+ 0 0 138 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.814 109.0 51.9 -61.4 -30.8 -13.5 -30.6 14.2 946 276 B N T 3<5S- 0 0 92 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.313 115.7-115.6 -89.7 7.9 -17.3 -31.0 14.3 947 277 B D T < 5S+ 0 0 147 -3,-1.6 -3,-0.2 1,-0.1 -2,-0.1 0.806 92.4 100.1 62.3 32.4 -17.6 -30.9 10.5 948 278 B S < - 0 0 45 -5,-2.8 -4,-0.1 -6,-0.1 -3,-0.1 -0.510 58.3-168.5-143.4 63.6 -19.5 -27.6 10.7 949 279 B P - 0 0 49 0, 0.0 2,-0.6 0, 0.0 -9,-0.1 -0.269 27.3-117.9 -60.9 143.2 -17.1 -24.9 9.8 950 280 B L + 0 0 6 -10,-0.2 -51,-0.2 1,-0.2 4,-0.1 -0.720 44.5 166.4 -74.1 119.5 -18.1 -21.3 10.5 951 281 B Q > + 0 0 57 -53,-2.1 3,-0.8 -2,-0.6 4,-0.4 0.822 61.7 53.9-110.3 -41.8 -18.0 -19.8 7.0 952 282 B S G >> S+ 0 0 0 -54,-1.6 4,-2.3 -52,-0.4 3,-1.5 0.848 100.1 65.6 -64.9 -31.1 -19.7 -16.4 6.9 953 283 B V G 34 S+ 0 0 6 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