==== 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 2ZW9 . COMPND 2 MOLECULE: LEUCINE CARBOXYL METHYLTRANSFERASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR Y.SUZUKI,A.NOMA,T.SUZUKI,R.ISHITANI,O.NUREKI . 1332 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 53512.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 930 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 60 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 285 21.4 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 . 11 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 5 0.4 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 . 130 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 112 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 261 19.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 1.4 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 0 5 3 2 0 6 1 4 1 0 0 0 0 0 0 0 0 1 0 2 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 . 14 6 4 16 13 4 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 . 4 5 9 3 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,-0.8 0, 0.0 3,-0.7 0.000 360.0 360.0 360.0 -96.7 31.9 -32.7 -7.8 2 17 A E H 3> + 0 0 148 1,-0.3 4,-1.2 2,-0.2 5,-0.0 0.508 360.0 63.7 -65.9 -3.2 34.2 -29.7 -8.2 3 18 A R H 3> S+ 0 0 219 2,-0.2 4,-0.9 1,-0.1 -1,-0.3 0.860 93.2 57.7 -82.8 -43.5 35.3 -31.6 -11.4 4 19 A R H <> S+ 0 0 208 -3,-0.7 4,-1.4 1,-0.2 -2,-0.2 0.763 110.5 47.2 -55.1 -25.9 31.8 -31.3 -12.9 5 20 A K H X S+ 0 0 113 -4,-0.8 4,-1.6 2,-0.2 -1,-0.2 0.905 106.2 53.1 -82.3 -46.9 32.3 -27.5 -12.5 6 21 A K H < S+ 0 0 150 -4,-1.2 4,-0.4 1,-0.2 -2,-0.2 0.515 113.5 47.8 -70.8 -3.6 35.8 -27.2 -13.9 7 22 A Y H X S+ 0 0 143 -4,-0.9 4,-1.9 2,-0.2 3,-0.3 0.834 109.7 46.3 -98.1 -53.3 34.5 -29.0 -17.0 8 23 A A H X S+ 0 0 41 -4,-1.4 4,-0.9 1,-0.2 -2,-0.2 0.721 113.4 56.0 -61.0 -20.0 31.3 -27.1 -17.7 9 24 A D H X S+ 0 0 21 -4,-1.6 4,-1.3 2,-0.2 -1,-0.2 0.874 107.2 44.6 -79.2 -39.9 33.5 -24.0 -17.1 10 25 A L H > S+ 0 0 92 -4,-0.4 4,-0.8 -3,-0.3 -2,-0.2 0.742 108.4 59.1 -76.5 -24.1 36.1 -24.8 -19.8 11 26 A A H X S+ 0 0 18 -4,-1.9 4,-0.6 2,-0.2 -1,-0.2 0.861 106.3 47.9 -69.8 -36.5 33.3 -25.8 -22.2 12 27 A I H >< S+ 0 0 16 -4,-0.9 3,-0.7 1,-0.2 4,-0.3 0.842 109.7 52.4 -70.7 -34.9 31.9 -22.2 -21.9 13 28 A Q H >X S+ 0 0 17 -4,-1.3 3,-0.6 1,-0.2 4,-0.5 0.702 100.0 65.8 -72.1 -19.7 35.4 -20.8 -22.4 14 29 A G H 3X S+ 0 0 28 -4,-0.8 4,-0.9 1,-0.2 3,-0.5 0.757 85.9 69.0 -72.0 -25.6 35.6 -23.0 -25.5 15 30 A T H S+ 0 0 0 -3,-0.6 4,-2.9 -4,-0.3 5,-0.4 0.937 94.6 57.9 -59.7 -46.9 35.2 -18.0 -27.5 17 32 A N H X S+ 0 0 93 -4,-0.5 4,-1.2 -3,-0.5 -1,-0.2 0.888 108.3 46.7 -46.5 -46.0 37.3 -20.1 -29.9 18 33 A S H X S+ 0 0 65 -4,-0.9 4,-1.2 1,-0.2 -1,-0.2 0.824 116.7 41.0 -70.2 -35.8 34.3 -20.4 -32.2 19 34 A S H X S+ 0 0 3 -4,-1.6 4,-1.9 -3,-0.3 -2,-0.2 0.793 111.0 53.5 -89.2 -30.9 33.2 -16.7 -32.1 20 35 A I H X S+ 0 0 4 -4,-2.9 4,-1.9 2,-0.2 -2,-0.2 0.844 109.0 53.2 -69.2 -33.5 36.6 -15.1 -32.3 21 36 A A H X S+ 0 0 12 -4,-1.2 4,-2.2 -5,-0.4 -2,-0.2 0.940 107.8 49.2 -62.6 -49.7 37.2 -17.2 -35.4 22 37 A S H X S+ 0 0 4 -4,-1.2 4,-1.2 1,-0.2 -2,-0.2 0.891 110.5 50.1 -59.1 -43.6 34.0 -16.0 -37.0 23 38 A K H X S+ 0 0 1 -4,-1.9 4,-1.4 1,-0.2 3,-0.3 0.885 108.8 53.2 -61.1 -40.2 34.9 -12.4 -36.3 24 39 A R H X S+ 0 0 23 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.889 102.5 58.2 -61.3 -40.2 38.3 -13.0 -37.9 25 40 A S H X S+ 0 0 3 -4,-2.2 4,-2.3 1,-0.2 5,-0.3 0.838 105.8 49.6 -58.3 -34.6 36.5 -14.4 -41.0 26 41 A V H <>S+ 0 0 0 -4,-1.2 5,-2.0 -3,-0.3 4,-0.4 0.805 107.3 54.6 -74.7 -30.7 34.7 -11.0 -41.3 27 42 A E H <5S+ 0 0 0 -4,-1.4 -2,-0.2 3,-0.2 -1,-0.2 0.899 112.3 44.2 -67.8 -41.6 38.1 -9.2 -41.0 28 43 A L H <5S+ 0 0 54 -4,-2.3 -2,-0.2 32,-0.1 -1,-0.2 0.954 130.3 19.9 -65.4 -51.7 39.5 -11.3 -43.8 29 44 A L T X5S+ 0 0 60 -4,-2.3 4,-0.8 -5,-0.2 -3,-0.2 0.977 127.5 32.9 -87.0 -63.2 36.5 -11.0 -46.2 30 45 A Y T >45S+ 0 0 1 -4,-0.4 3,-1.2 -5,-0.3 4,-0.3 0.942 108.0 56.6 -67.1 -58.0 34.2 -8.1 -45.3 31 46 A L G >4 S+ 0 0 59 1,-0.2 3,-0.9 2,-0.2 4,-0.4 0.831 120.0 54.7 -50.4 -40.5 35.6 4.1 -44.7 37 52 A A T 3 S+ 0 0 74 1,-0.3 3,-0.5 2,-0.2 -1,-0.2 0.967 115.9 30.9 -66.9 -59.1 32.3 4.4 -42.8 38 53 A N T 3 S+ 0 0 10 1,-0.2 -1,-0.3 2,-0.0 -2,-0.2 0.058 99.3 100.7 -86.6 26.9 31.4 0.8 -42.0 39 54 A N < - 0 0 6 -3,-0.9 2,-1.2 1,-0.1 -1,-0.2 0.880 54.6-170.7 -85.4 -43.8 35.1 -0.0 -41.9 40 55 A F + 0 0 16 -3,-0.5 2,-0.4 -4,-0.4 -1,-0.1 -0.185 69.1 50.5 79.7 -43.7 36.0 -0.2 -38.2 41 56 A Q + 0 0 1 -2,-1.2 2,-0.3 76,-0.1 8,-0.2 -0.986 65.6 123.0-137.4 126.7 39.7 -0.5 -38.8 42 57 A M - 0 0 10 -2,-0.4 74,-2.4 6,-0.3 75,-0.7 -0.894 37.6-137.0-177.6 143.0 42.0 1.7 -40.9 43 58 A D > - 0 0 26 4,-2.0 3,-1.7 -2,-0.3 4,-0.1 -0.376 48.7 -82.5 -99.1-176.0 45.1 3.9 -40.8 44 59 A K T 3 S+ 0 0 168 1,-0.3 71,-0.1 70,-0.2 -1,-0.0 0.708 126.2 58.5 -62.3 -21.2 45.7 7.3 -42.4 45 60 A N T 3 S- 0 0 97 2,-0.2 -1,-0.3 3,-0.0 3,-0.1 0.141 117.8-108.3 -94.6 19.7 46.6 5.7 -45.8 46 61 A N S < S+ 0 0 121 -3,-1.7 2,-0.5 1,-0.2 -2,-0.1 0.807 73.1 146.4 55.4 30.3 43.3 4.0 -46.1 47 62 A K - 0 0 132 -4,-0.1 -4,-2.0 1,-0.0 -1,-0.2 -0.882 53.2-114.1 -99.9 125.0 45.0 0.7 -45.4 48 63 A L - 0 0 48 -2,-0.5 2,-0.3 -6,-0.2 -6,-0.3 -0.237 25.7-143.4 -57.5 138.0 43.0 -1.8 -43.4 49 64 A L - 0 0 28 -8,-0.2 2,-0.4 -6,-0.0 -1,-0.1 -0.810 10.3-149.0-102.1 147.5 44.2 -2.6 -39.9 50 65 A E + 0 0 51 -2,-0.3 4,-0.0 1,-0.1 -26,-0.0 -0.969 31.6 152.0-125.0 129.7 43.9 -6.1 -38.5 51 66 A Y > + 0 0 6 -2,-0.4 3,-0.8 2,-0.1 4,-0.3 0.646 68.6 65.6-122.6 -31.1 43.5 -7.1 -34.9 52 67 A F G >> S+ 0 0 3 1,-0.2 3,-0.6 2,-0.2 4,-0.5 0.621 89.6 71.9 -72.3 -13.3 41.6 -10.5 -34.9 53 68 A K G 34 S+ 0 0 90 1,-0.2 3,-0.5 2,-0.2 -1,-0.2 0.808 87.5 60.5 -74.0 -30.2 44.6 -12.2 -36.5 54 69 A F G <4 S+ 0 0 37 -3,-0.8 -1,-0.2 1,-0.2 -2,-0.2 0.707 112.0 41.1 -67.5 -19.2 46.7 -12.0 -33.4 55 70 A F T <4 S+ 0 0 12 -3,-0.6 -1,-0.2 -4,-0.3 -2,-0.2 0.461 104.6 71.2-110.6 -5.7 44.1 -14.1 -31.6 56 71 A V < - 0 0 15 -4,-0.5 -1,-0.1 -3,-0.5 4,-0.0 -0.963 62.8-155.4-120.7 119.7 43.2 -16.6 -34.4 57 72 A P S S+ 0 0 126 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.882 74.2 22.6 -51.2 -51.1 45.7 -19.4 -35.4 58 73 A K S S- 0 0 164 1,-0.0 2,-0.4 0, 0.0 -2,-0.0 -0.570 87.5 -89.9-118.2 173.7 44.5 -19.9 -38.9 59 74 A K - 0 0 170 -2,-0.2 2,-0.3 -31,-0.0 -34,-0.1 -0.703 48.8-160.2 -76.5 137.6 42.6 -18.3 -41.8 60 75 A I - 0 0 35 -2,-0.4 2,-0.4 -39,-0.2 -32,-0.1 -0.944 12.8-162.2-126.5 150.7 38.9 -19.1 -41.4 61 76 A K - 0 0 189 -2,-0.3 2,-0.3 -33,-0.1 -35,-0.1 -0.982 9.6-171.5-129.1 141.4 35.9 -19.0 -43.8 62 77 A R - 0 0 73 -2,-0.4 -2,-0.0 -37,-0.1 -40,-0.0 -0.779 35.4 -85.3-124.3 167.1 32.2 -19.0 -43.0 63 78 A S > - 0 0 46 -2,-0.3 4,-2.6 1,-0.1 3,-0.5 -0.405 47.9-110.5 -63.3 151.0 28.9 -19.3 -44.8 64 79 A P H > S+ 0 0 28 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.787 119.6 54.6 -58.0 -26.5 27.7 -16.0 -46.2 65 80 A C H > S+ 0 0 1 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.864 109.0 44.6 -75.6 -39.3 25.0 -16.0 -43.6 66 81 A I H > S+ 0 0 20 -3,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.894 113.4 52.3 -70.3 -40.6 27.3 -16.5 -40.6 67 82 A N H X S+ 0 0 3 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.919 112.1 45.0 -58.8 -47.0 29.7 -13.8 -42.1 68 83 A R H X S+ 0 0 2 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.916 110.1 55.7 -63.4 -43.1 26.8 -11.3 -42.4 69 84 A G H X S+ 0 0 2 -4,-2.2 4,-1.1 1,-0.2 -1,-0.2 0.870 109.7 46.0 -57.4 -38.7 25.6 -12.2 -38.9 70 85 A Y H X S+ 0 0 18 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.782 108.3 54.0 -80.6 -27.9 29.0 -11.4 -37.4 71 86 A W H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 5,-0.2 0.919 109.8 49.6 -65.7 -42.8 29.4 -8.1 -39.3 72 87 A L H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.841 108.6 54.3 -60.9 -34.8 26.1 -7.0 -37.9 73 88 A R H X S+ 0 0 14 -4,-1.1 4,-1.9 2,-0.2 -1,-0.2 0.830 109.8 44.8 -71.9 -37.0 27.3 -8.1 -34.4 74 89 A L H X S+ 0 0 20 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.853 115.4 48.5 -72.5 -40.0 30.4 -5.9 -34.6 75 90 A F H X S+ 0 0 36 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.838 108.0 58.0 -65.9 -35.8 28.3 -3.1 -36.0 76 91 A A H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.978 113.2 35.0 -58.4 -60.4 25.8 -3.7 -33.2 77 92 A I H X S+ 0 0 4 -4,-1.9 4,-2.7 1,-0.2 5,-0.2 0.920 119.1 51.3 -61.7 -46.4 28.3 -3.2 -30.3 78 93 A R H X S+ 0 0 16 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.900 108.5 51.4 -59.9 -43.2 30.2 -0.5 -32.2 79 94 A S H X S+ 0 0 10 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.891 111.9 46.9 -63.3 -40.7 27.1 1.5 -32.9 80 95 A R H X S+ 0 0 6 -4,-1.8 4,-1.3 -5,-0.2 3,-0.3 0.972 112.3 48.3 -63.3 -55.4 26.0 1.4 -29.3 81 96 A L H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.845 110.4 55.5 -52.6 -36.8 29.4 2.4 -27.9 82 97 A N H X S+ 0 0 37 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.899 101.6 53.8 -64.4 -44.2 29.4 5.2 -30.5 83 98 A S H X S+ 0 0 3 -4,-1.8 4,-1.0 -3,-0.3 -1,-0.2 0.798 111.4 49.5 -61.3 -27.7 26.1 6.7 -29.3 84 99 A I H X S+ 0 0 0 -4,-1.3 4,-3.0 2,-0.2 -2,-0.2 0.931 111.4 43.9 -79.1 -48.2 27.6 6.9 -25.9 85 100 A I H < S+ 0 0 7 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.1 0.933 113.6 52.3 -62.9 -46.3 30.9 8.5 -26.7 86 101 A E H < S+ 0 0 113 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.869 119.7 34.7 -53.4 -40.2 29.2 11.0 -29.0 87 102 A Q H < S+ 0 0 64 -4,-1.0 -2,-0.2 -5,-0.2 -1,-0.2 0.901 88.0 101.1 -90.0 -46.8 26.8 12.0 -26.3 88 103 A T S < S- 0 0 5 -4,-3.0 6,-0.0 -5,-0.1 -4,-0.0 -0.131 84.7-103.0 -44.6 126.9 28.7 11.8 -23.0 89 104 A P > - 0 0 76 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 -0.149 31.2-110.2 -53.0 153.3 29.7 15.3 -21.9 90 105 A Q T 3 S+ 0 0 161 1,-0.3 -2,-0.1 -3,-0.1 -3,-0.0 0.408 109.3 62.2 -74.8 2.0 33.4 16.2 -22.5 91 106 A D T 3 S+ 0 0 136 2,-0.1 2,-0.5 0, 0.0 -1,-0.3 0.429 85.9 89.7-104.8 1.0 34.4 16.3 -18.8 92 107 A K < - 0 0 47 -3,-1.5 102,-0.2 102,-0.0 32,-0.1 -0.860 68.2-136.2-107.3 129.7 33.6 12.6 -18.0 93 108 A K E -a 194 0A 132 100,-1.0 102,-2.1 -2,-0.5 2,-0.4 -0.344 23.4-142.0 -63.9 156.4 36.0 9.7 -18.3 94 109 A I E -ab 195 125A 0 30,-1.8 32,-2.7 100,-0.2 2,-0.5 -0.993 13.4-167.1-130.2 133.9 34.4 6.6 -19.9 95 110 A V E -ab 196 126A 15 100,-2.7 102,-2.8 -2,-0.4 2,-0.7 -0.967 6.5-158.9-123.3 119.1 35.0 2.9 -18.9 96 111 A V E -ab 197 127A 5 30,-2.8 32,-2.1 -2,-0.5 2,-0.7 -0.861 9.8-161.7 -94.5 115.6 33.9 0.0 -21.1 97 112 A V E -ab 198 128A 0 100,-2.1 102,-2.7 -2,-0.7 2,-0.9 -0.868 3.7-156.0-101.7 108.9 33.6 -3.1 -19.0 98 113 A N E > -ab 199 129A 5 30,-2.3 32,-2.5 -2,-0.7 2,-0.9 -0.733 7.0-153.6 -88.2 103.1 33.6 -6.3 -21.2 99 114 A L E 3 S+ b 0 130A 0 100,-2.8 102,-0.2 -2,-0.9 105,-0.2 -0.645 83.4 0.1 -82.7 103.9 31.9 -9.1 -19.2 100 115 A G T 3 S- 0 0 0 30,-3.0 -1,-0.3 -2,-0.9 31,-0.2 0.932 81.6-175.6 79.6 59.1 33.3 -12.3 -20.5 101 116 A C X - 0 0 0 29,-1.4 3,-1.4 -3,-0.7 5,-0.2 0.755 5.7-170.1 -61.5 -29.9 35.6 -10.7 -23.0 102 117 A G T 3 - 0 0 0 1234,-0.2 -1,-0.2 1,-0.2 -2,-0.1 -0.395 66.7 -41.8 60.5-150.6 36.9 -13.8 -24.6 103 118 A Y T 3 S+ 0 0 27 -87,-0.1 -1,-0.2 -48,-0.1 -2,-0.1 0.264 94.1 149.7 -89.2 11.9 39.8 -13.0 -26.9 104 119 A D < - 0 0 3 -3,-1.4 -6,-0.1 1,-0.2 -84,-0.0 -0.237 33.2-164.9 -50.3 120.8 37.9 -9.9 -28.1 105 120 A P > + 0 0 0 0, 0.0 4,-2.1 0, 0.0 3,-0.5 0.104 49.0 124.3 -96.4 18.6 40.4 -7.2 -29.1 106 121 A L H > S+ 0 0 20 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.873 71.3 57.6 -47.5 -44.6 37.8 -4.4 -29.1 107 122 A P H > S+ 0 0 1 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.925 108.9 42.4 -48.4 -54.6 40.0 -2.5 -26.6 108 123 A F H > S+ 0 0 0 -3,-0.5 4,-2.9 1,-0.2 -2,-0.2 0.840 112.1 54.5 -67.5 -35.8 43.1 -2.4 -28.8 109 124 A Q H < S+ 0 0 7 -4,-2.1 -1,-0.2 1,-0.2 -3,-0.1 0.916 115.2 39.2 -62.5 -44.3 41.1 -1.6 -31.9 110 125 A L H < S+ 0 0 0 -4,-2.2 11,-0.2 -5,-0.2 -2,-0.2 0.801 120.7 44.8 -77.9 -31.2 39.5 1.4 -30.3 111 126 A L H < S+ 0 0 9 -4,-2.2 -2,-0.2 -5,-0.3 -3,-0.2 0.883 83.3 104.3 -81.0 -40.9 42.7 2.5 -28.4 112 127 A D < - 0 0 13 -4,-2.9 3,-0.3 -5,-0.2 6,-0.2 -0.190 60.0-154.3 -47.5 121.8 45.2 2.1 -31.3 113 128 A T S S+ 0 0 100 1,-0.2 -1,-0.2 9,-0.1 9,-0.1 0.566 90.1 67.0 -81.5 -10.7 46.0 5.6 -32.5 114 129 A N S S+ 0 0 77 1,-0.1 2,-0.9 -71,-0.1 -70,-0.2 0.897 82.7 84.3 -68.3 -43.0 46.9 4.4 -35.9 115 130 A N > - 0 0 0 -3,-0.3 3,-1.1 1,-0.2 -72,-0.2 -0.482 59.3-177.0 -64.4 99.9 43.2 3.4 -36.4 116 131 A I G > S+ 0 0 72 -74,-2.4 3,-0.7 -2,-0.9 -1,-0.2 0.542 75.1 71.6 -78.4 -7.0 41.7 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A S E -e 196 0A 0 -30,-0.2 102,-1.7 -3,-0.1 2,-0.4 -0.969 31.7-157.8-126.6 139.9 26.0 3.0 -16.1 226 249 A H E -eF 197 326A 0 -30,-3.4 -28,-3.6 -2,-0.4 2,-0.5 -0.891 5.9-158.5-106.7 145.1 25.0 1.6 -19.4 227 250 A F E -eF 198 325A 0 98,-2.5 98,-2.7 -2,-0.4 2,-0.6 -0.949 8.1-175.2-124.2 110.4 24.4 -2.1 -19.9 228 251 A I E +eF 199 324A 0 -30,-3.0 -28,-2.8 -2,-0.5 2,-0.4 -0.929 9.5 179.9-102.0 118.1 24.6 -3.4 -23.5 229 252 A I E -eF 200 323A 0 94,-2.9 94,-3.3 -2,-0.6 2,-0.4 -0.963 12.3-173.3-120.7 138.7 23.7 -7.0 -23.8 230 253 A L E +eF 201 322A 1 -30,-2.4 -28,-3.0 -2,-0.4 2,-0.3 -0.954 30.4 128.3-129.2 109.9 23.7 -9.0 -26.9 231 254 A E E - F 0 321A 1 90,-1.5 90,-2.7 -2,-0.4 -2,-0.0 -0.958 52.4 -68.1-156.2 177.9 22.2 -12.6 -26.7 232 255 A Q E - F 0 320A 2 -2,-0.3 2,-0.3 88,-0.2 88,-0.3 -0.226 35.9-164.2 -72.5 152.6 19.9 -15.2 -28.0 233 256 A L - 0 0 2 86,-1.7 32,-0.2 28,-0.0 31,-0.2 -0.847 19.2-158.0-121.2 164.8 16.1 -15.2 -27.9 234 257 A I > + 0 0 0 30,-1.8 3,-2.5 -2,-0.3 31,-0.1 -0.492 21.1 176.6-135.3 69.1 13.5 -17.8 -28.3 235 258 A P T 3 S+ 0 0 34 0, 0.0 30,-0.1 0, 0.0 29,-0.1 0.458 78.8 34.2 -57.9 -9.3 10.5 -15.5 -29.1 236 259 A K T 3 S- 0 0 88 1,-0.4 3,-0.3 28,-0.1 4,-0.1 0.020 122.9 -83.7-136.0 28.5 8.1 -18.4 -29.8 237 260 A G X - 0 0 16 -3,-2.5 3,-1.3 1,-0.2 -1,-0.4 -0.012 51.4 -68.9 92.2 164.7 9.2 -21.0 -27.3 238 261 A P T 3 S+ 0 0 52 0, 0.0 -1,-0.2 0, 0.0 9,-0.1 0.440 126.6 61.7 -69.2 0.9 11.9 -23.8 -27.3 239 262 A F T 3 + 0 0 78 -3,-0.3 -2,-0.1 -5,-0.1 6,-0.0 0.541 66.9 114.8-112.7 -11.7 10.0 -25.6 -29.9 240 263 A E S <> S- 0 0 8 -3,-1.3 4,-3.1 1,-0.1 3,-0.4 -0.413 82.5-106.9 -57.7 137.1 10.0 -23.1 -32.8 241 264 A P H > S+ 0 0 17 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 0.763 116.7 35.4 -39.8 -50.1 12.0 -24.8 -35.7 242 265 A F H > S+ 0 0 2 2,-0.2 4,-2.7 1,-0.1 5,-0.2 0.836 117.4 53.1 -79.0 -35.5 15.1 -22.6 -35.4 243 266 A S H > S+ 0 0 0 -3,-0.4 4,-3.1 2,-0.2 5,-0.3 0.972 107.1 52.5 -58.8 -56.2 14.9 -22.3 -31.6 244 267 A K H X S+ 0 0 52 -4,-3.1 4,-2.0 1,-0.2 -2,-0.2 0.899 113.7 43.5 -43.9 -51.6 14.7 -26.1 -31.2 245 268 A Q H X S+ 0 0 36 -4,-1.3 4,-2.4 -5,-0.3 -1,-0.2 0.920 114.0 49.9 -65.2 -45.9 17.9 -26.5 -33.4 246 269 A M H X S+ 0 0 0 -4,-2.7 4,-1.6 2,-0.2 -2,-0.2 0.953 111.6 47.1 -59.6 -53.4 19.8 -23.7 -31.7 247 270 A L H X S+ 0 0 25 -4,-3.1 4,-1.7 1,-0.2 3,-0.3 0.920 112.9 48.9 -54.4 -49.1 19.1 -24.9 -28.1 248 271 A A H X S+ 0 0 33 -4,-2.0 4,-2.2 -5,-0.3 -1,-0.2 0.899 105.7 57.3 -60.9 -43.4 20.0 -28.5 -28.9 249 272 A H H X S+ 0 0 45 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.882 108.7 48.5 -52.2 -39.3 23.3 -27.4 -30.6 250 273 A F H <>S+ 0 0 10 -4,-1.6 5,-2.3 -3,-0.3 4,-0.4 0.801 106.4 52.3 -79.7 -31.1 24.2 -25.7 -27.4 251 274 A K H ><5S+ 0 0 147 -4,-1.7 3,-1.3 3,-0.2 -1,-0.2 0.910 107.6 57.1 -64.1 -38.9 23.5 -28.6 -25.1 252 275 A R H 3<5S+ 0 0 172 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.877 103.5 50.2 -59.9 -42.8 25.7 -30.6 -27.4 253 276 A N T 3<5S- 0 0 86 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.564 115.6-116.1 -72.1 -8.6 28.7 -28.3 -26.9 254 277 A D T < 5S+ 0 0 73 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A N + 0 0 45 -2,-0.7 -30,-1.8 -3,-0.2 -1,-0.2 0.866 53.3 42.4 -76.6 -42.3 12.3 -15.6 -24.3 265 288 A T S > S- 0 0 51 -32,-0.2 4,-1.3 -31,-0.1 5,-0.1 -0.508 80.2-110.1-112.2 170.1 11.2 -12.4 -25.9 266 289 A I H > S+ 0 0 37 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.889 120.5 53.3 -59.0 -40.3 12.3 -8.8 -26.6 267 290 A E H >> S+ 0 0 73 1,-0.2 4,-2.0 2,-0.2 3,-0.6 0.918 102.8 53.3 -64.6 -47.2 9.7 -7.8 -24.0 268 291 A S H 3> S+ 0 0 24 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.842 105.3 57.5 -58.7 -33.2 10.9 -10.1 -21.2 269 292 A Q H 3X S+ 0 0 0 -4,-1.3 4,-1.7 2,-0.2 -1,-0.3 0.857 105.0 51.1 -63.6 -36.6 14.3 -8.5 -21.7 270 293 A V H S+ 0 0 0 -4,-1.7 5,-3.0 2,-0.2 -1,-0.2 0.846 113.3 50.0 -75.4 -35.1 16.2 -4.8 -16.9 274 297 A N H ><5S+ 0 0 67 -4,-1.9 3,-2.0 1,-0.2 -2,-0.2 0.970 110.2 51.6 -62.7 -52.8 13.7 -2.6 -15.1 275 298 A K H 3<5S+ 0 0 132 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.767 110.5 51.2 -50.2 -29.8 13.3 -5.2 -12.4 276 299 A L T 3<5S- 0 0 5 -4,-0.9 -1,-0.3 -5,-0.2 -56,-0.3 0.244 130.0 -82.8-104.5 12.0 17.1 -5.1 -12.0 277 300 A G T < 5S+ 0 0 39 -3,-2.0 2,-0.6 1,-0.1 -3,-0.2 0.525 93.8 113.8 106.0 8.1 17.7 -1.4 -11.6 278 301 A F < + 0 0 0 -5,-3.0 49,-0.2 1,-0.1 -2,-0.2 -0.835 33.0 174.9-114.0 95.0 17.8 -0.2 -15.2 279 302 A A + 0 0 63 -2,-0.6 2,-0.6 1,-0.1 48,-0.2 0.765 64.6 63.3 -69.0 -29.9 14.8 2.1 -15.8 280 303 A Y E +G 326 0A 90 46,-2.1 46,-3.0 -7,-0.1 2,-0.4 -0.886 65.1 171.5-110.2 117.5 15.7 3.2 -19.3 281 304 A V E -G 325 0A 23 -2,-0.6 2,-0.5 44,-0.3 44,-0.2 -0.979 19.1-176.0-135.8 124.5 15.8 0.5 -22.0 282 305 A N E +G 324 0A 2 42,-3.4 42,-3.0 -2,-0.4 2,-0.4 -0.983 25.9 165.3-115.9 122.5 16.2 0.6 -25.8 283 306 A V E +G 323 0A 0 -2,-0.5 2,-0.3 40,-0.2 40,-0.2 -0.993 12.0 149.1-149.5 134.6 15.9 -2.8 -27.4 284 307 A G E -G 322 0A 0 38,-1.4 38,-3.2 -2,-0.4 2,-0.2 -0.947 40.9-100.6-149.9 169.6 15.4 -4.6 -30.8 285 308 A D E >> -G 321 0A 11 -2,-0.3 3,-2.1 36,-0.3 4,-0.9 -0.548 46.3 -93.4 -93.0 165.8 16.4 -7.8 -32.6 286 309 A M H 3> S+ 0 0 5 34,-2.5 4,-1.9 31,-1.0 32,-0.2 0.709 120.0 61.6 -52.2 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46.9 -73.5 -32.1 25.0 3.1 -49.0 297 320 A T H <> S+ 0 0 0 -3,-0.8 4,-2.7 2,-0.2 -2,-0.2 0.912 112.4 49.0 -71.6 -46.1 26.0 0.6 -46.3 298 321 A K H X S+ 0 0 22 -4,-3.0 4,-2.1 1,-0.2 5,-0.2 0.948 109.9 52.7 -57.4 -50.7 23.3 -1.9 -47.4 299 322 A K H X S+ 0 0 137 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.913 111.9 45.9 -49.7 -49.4 24.5 -1.5 -51.0 300 323 A E H >X S+ 0 0 43 -4,-1.6 4,-0.9 1,-0.2 3,-0.6 0.949 109.5 53.1 -58.9 -52.4 28.1 -2.3 -49.9 301 324 A L H 3X S+ 0 0 1 -4,-2.7 4,-0.6 1,-0.3 3,-0.4 0.803 106.6 52.8 -59.6 -34.7 27.2 -5.3 -47.8 302 325 A L H 3< S+ 0 0 43 -4,-2.1 3,-0.3 1,-0.2 -1,-0.3 0.882 111.0 48.1 -64.6 -38.4 25.2 -7.0 -50.6 303 326 A K H << S+ 0 0 148 -4,-1.3 -2,-0.2 -3,-0.6 -1,-0.2 0.541 89.8 83.4 -83.6 -8.6 28.3 -6.6 -52.9 304 327 A V H < S- 0 0 5 -4,-0.9 -1,-0.2 -3,-0.4 -2,-0.1 0.957 107.6 -13.1 -61.3 -52.7 30.8 -8.0 -50.4 305 328 A E S < S- 0 0 28 -4,-0.6 -1,-0.2 -3,-0.3 2,-0.0 -0.995 82.7 -79.8-150.8 152.5 30.1 -11.7 -51.2 306 329 A P + 0 0 48 0, 0.0 2,-0.4 0, 0.0 135,-0.1 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2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.890 118.0 52.7 -74.2 -42.0 33.3 -17.1 -102.4 906 266 B S H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.912 106.8 53.1 -58.3 -47.0 33.4 -16.7 -106.2 907 267 B K H X S+ 0 0 57 -4,-3.4 4,-2.0 1,-0.2 -1,-0.2 0.925 111.1 45.0 -55.9 -49.4 35.9 -19.5 -106.6 908 268 B Q H X S+ 0 0 41 -4,-1.3 4,-2.7 -5,-0.3 -1,-0.2 0.899 114.0 49.3 -65.1 -42.4 33.9 -22.0 -104.6 909 269 B M H X S+ 0 0 0 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.902 111.1 48.4 -62.3 -47.6 30.6 -21.2 -106.4 910 270 B L H X S+ 0 0 28 -4,-2.6 4,-2.8 2,-0.2 10,-0.2 0.886 113.7 48.3 -61.7 -40.6 32.1 -21.4 -109.9 911 271 B A H X S+ 0 0 40 -4,-2.0 4,-2.6 -5,-0.3 -2,-0.2 0.937 107.6 54.1 -65.6 -47.8 33.7 -24.7 -109.0 912 272 B H H < S+ 0 0 39 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.811 116.3 39.9 -55.9 -33.0 30.4 -26.1 -107.5 913 273 B F H ><>S+ 0 0 17 -4,-1.5 5,-1.7 2,-0.2 3,-1.1 0.885 112.8 52.5 -84.7 -44.1 28.7 -25.2 -110.8 914 274 B K H ><5S+ 0 0 153 -4,-2.8 3,-1.3 1,-0.2 -2,-0.2 0.911 111.2 47.9 -56.1 -44.7 31.4 -26.3 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33.9 -56.6 -26.9 32.6 -14.9 -116.7 925 285 B K T <4 S+ 0 0 104 -3,-2.2 2,-0.7 -4,-0.5 -2,-0.2 0.817 122.9 44.3 -96.1 -40.8 32.0 -12.0 -119.1 926 286 B Y < + 0 0 16 -4,-2.1 -1,-0.2 1,-0.2 -29,-0.2 -0.673 65.7 156.4-109.3 76.4 29.7 -9.9 -116.9 927 287 B N + 0 0 45 -2,-0.7 -30,-1.6 -3,-0.2 -1,-0.2 0.909 55.1 47.1 -62.5 -46.9 31.4 -9.9 -113.5 928 288 B T S > S- 0 0 26 -3,-0.2 4,-0.7 -32,-0.2 56,-0.0 -0.328 81.3-112.0-105.6 173.4 30.0 -6.7 -112.1 929 289 B I H > S+ 0 0 30 2,-0.2 4,-0.8 1,-0.2 3,-0.1 0.852 118.6 51.7 -65.2 -37.7 26.8 -4.8 -111.5 930 290 B E H >> S+ 0 0 75 1,-0.2 4,-2.1 2,-0.2 3,-1.3 0.927 102.0 56.1 -68.5 -47.4 28.1 -2.1 -114.0 931 291 B S H 3> S+ 0 0 22 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.789 102.4 61.7 -54.3 -26.5 28.9 -4.6 -116.7 932 292 B Q H 3X S+ 0 0 1 -4,-0.7 4,-1.8 2,-0.2 -1,-0.3 0.855 104.9 45.1 -67.1 -36.3 25.3 -5.5 -116.4 933 293 B V H S+ 0 0 0 -4,-1.8 5,-3.0 1,-0.2 -1,-0.2 0.799 116.0 49.3 -68.1 -30.0 21.5 -4.0 -121.4 937 297 B N H ><5S+ 0 0 77 -4,-2.2 3,-1.3 3,-0.2 -1,-0.2 0.932 112.0 49.2 -68.2 -46.8 22.2 -0.6 -122.9 938 298 B K H 3<5S+ 0 0 154 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.765 111.1 52.3 -60.7 -25.8 24.2 -2.3 -125.6 939 299 B L T 3<5S- 0 0 7 -4,-1.5 -56,-0.3 2,-0.2 -1,-0.2 0.195 129.1 -81.4-105.2 15.8 21.4 -4.8 -126.3 940 300 B G T < 5S+ 0 0 37 -3,-1.3 2,-0.6 1,-0.2 -3,-0.2 0.485 96.5 110.8 103.1 1.8 18.4 -2.5 -126.8 941 301 B F < + 0 0 0 -5,-3.0 -2,-0.2 -6,-0.2 49,-0.2 -0.925 33.5 172.8-110.5 109.0 17.4 -1.7 -123.2 942 302 B A + 0 0 64 -2,-0.6 2,-0.8 47,-0.4 48,-0.2 0.759 64.1 64.4 -84.6 -27.3 18.2 2.0 -122.4 943 303 B Y E +R 989 0P 91 46,-1.9 46,-1.2 -7,-0.1 2,-0.5 -0.798 65.9 173.8-110.2 97.8 16.5 2.2 -118.9 944 304 B V E -R 988 0P 18 -2,-0.8 2,-0.5 44,-0.2 44,-0.2 -0.861 19.2-173.0-111.1 130.0 18.2 -0.1 -116.4 945 305 B N E +R 987 0P 4 42,-2.2 42,-2.4 -2,-0.5 2,-0.4 -0.948 26.2 168.0-117.5 109.0 17.5 -0.3 -112.7 946 306 B V E +R 986 0P 2 -2,-0.5 2,-0.3 40,-0.2 40,-0.2 -0.940 10.7 143.6-131.2 142.9 20.1 -2.6 -111.1 947 307 B G E -R 985 0P 0 38,-1.2 38,-3.0 -2,-0.4 2,-0.2 -0.962 40.4-103.8-161.7 166.5 21.4 -3.6 -107.6 948 308 B D E >> -R 984 0P 11 -2,-0.3 4,-1.2 36,-0.2 3,-1.1 -0.485 43.7 -92.7 -95.1 171.2 22.6 -6.7 -105.7 949 309 B M H 3> S+ 0 0 2 34,-2.4 4,-1.4 31,-1.1 3,-0.2 0.813 120.5 57.5 -52.5 -37.7 20.8 -8.8 -103.2 950 310 B F H 3> S+ 0 0 1 30,-0.6 4,-2.6 1,-0.3 -1,-0.3 0.832 102.0 53.8 -69.5 -30.6 21.9 -6.9 -100.2 951 311 B Q H <> S+ 0 0 42 -3,-1.1 4,-1.8 1,-0.2 -1,-0.3 0.822 106.1 55.1 -67.4 -30.5 20.5 -3.6 -101.5 952 312 B L H X S+ 0 0 1 -4,-1.2 4,-1.1 -3,-0.2 -2,-0.2 0.849 108.2 49.5 -65.1 -35.6 17.3 -5.6 -101.8 953 313 B W H >< S+ 0 0 0 -4,-1.4 3,-0.5 1,-0.2 -2,-0.2 0.946 112.4 44.7 -69.2 -50.3 17.7 -6.5 -98.1 954 314 B E H 3< S+ 0 0 90 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.808 107.8 60.8 -63.5 -30.8 18.3 -2.9 -97.0 955 315 B S H 3< S+ 0 0 70 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.827 83.6 95.4 -69.5 -33.0 15.4 -1.7 -99.2 956 316 B A S << S- 0 0 10 -4,-1.1 -3,-0.0 -3,-0.5 5,-0.0 -0.268 86.1-101.4 -58.9 145.8 12.9 -3.8 -97.2 957 317 B D > - 0 0 93 1,-0.1 4,-2.4 4,-0.0 5,-0.2 -0.157 24.6-109.1 -72.2 163.4 11.1 -2.0 -94.5 958 318 B E H > S+ 0 0 175 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.863 117.0 55.0 -57.7 -40.3 11.9 -2.1 -90.7 959 319 B A H > S+ 0 0 69 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.915 111.6 42.4 -62.7 -45.0 8.7 -4.1 -90.0 960 320 B T H > S+ 0 0 6 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.881 111.8 55.3 -69.4 -39.5 9.5 -6.8 -92.5 961 321 B K H X S+ 0 0 21 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.912 107.2 50.6 -57.6 -44.2 13.1 -6.9 -91.4 962 322 B K H X S+ 0 0 133 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.910 108.6 52.5 -61.8 -43.8 12.0 -7.5 -87.8 963 323 B E H >X S+ 0 0 52 -4,-1.7 4,-0.6 1,-0.2 3,-0.6 0.918 108.5 49.1 -56.6 -48.3 9.7 -10.4 -88.9 964 324 B L H >X S+ 0 0 0 -4,-2.1 4,-0.6 1,-0.3 3,-0.6 0.817 106.2 55.0 -67.8 -33.6 12.5 -12.2 -90.8 965 325 B L H 3< S+ 0 0 41 -4,-1.7 -1,-0.3 1,-0.2 5,-0.2 0.767 110.3 49.4 -68.3 -24.6 15.0 -12.0 -88.0 966 326 B K H << S+ 0 0 153 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.569 90.2 80.7 -90.4 -12.3 12.4 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