==== 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 17-FEB-09 2ZZK . 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 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 54902.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 930 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 58 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 285 21.0 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 . 9 0.7 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 . 3 0.2 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 . 125 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 120 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 260 19.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 1.6 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 4 1 6 1 2 1 6 1 4 2 1 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 1 0 1 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 . 18 6 5 15 13 3 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 2 1 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 13 A N > 0 0 83 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 128.8 30.1 10.7 -95.3 2 14 A V H > + 0 0 101 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.889 360.0 43.2 -64.1 -44.2 29.0 10.7 -98.9 3 15 A K H > S+ 0 0 14 159,-0.6 4,-3.0 2,-0.2 3,-0.2 0.952 113.0 51.5 -65.7 -51.3 25.8 8.7 -98.4 4 16 A Q H > S+ 0 0 122 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.820 108.5 52.7 -57.0 -34.9 24.8 10.7 -95.3 5 17 A E H X S+ 0 0 138 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.887 111.5 45.8 -68.3 -40.5 25.3 14.0 -97.1 6 18 A R H X S+ 0 0 38 -4,-1.5 4,-1.9 -3,-0.2 5,-0.4 0.950 110.4 54.2 -65.1 -50.6 23.0 12.8 -100.0 7 19 A R H X S+ 0 0 86 -4,-3.0 4,-1.7 1,-0.2 -2,-0.2 0.930 111.1 44.2 -48.4 -55.9 20.4 11.5 -97.5 8 20 A K H X S+ 0 0 124 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.901 107.4 61.9 -57.5 -42.8 20.2 14.9 -95.7 9 21 A K H X S+ 0 0 116 -4,-1.8 4,-1.1 1,-0.3 3,-0.2 0.939 116.8 27.4 -50.7 -58.2 20.1 16.8 -99.0 10 22 A Y H X S+ 0 0 20 -4,-1.9 4,-2.3 1,-0.2 -1,-0.3 0.625 111.1 72.0 -82.5 -13.8 16.9 15.2 -100.3 11 23 A A H X S+ 0 0 27 -4,-1.7 4,-0.8 -5,-0.4 -2,-0.2 0.908 101.6 44.6 -62.2 -42.3 15.7 14.7 -96.7 12 24 A D H X S+ 0 0 83 -4,-2.3 4,-1.5 -3,-0.2 3,-0.5 0.883 109.6 55.3 -68.4 -40.9 15.2 18.4 -96.5 13 25 A L H < S+ 0 0 81 -4,-1.1 4,-0.3 1,-0.2 3,-0.3 0.913 103.1 55.7 -58.4 -43.8 13.5 18.4 -99.9 14 26 A A H >< S+ 0 0 0 -4,-2.3 3,-0.8 1,-0.2 -1,-0.2 0.818 104.2 56.6 -57.7 -30.4 11.0 15.9 -98.7 15 27 A I H >X S+ 0 0 54 -4,-0.8 3,-2.5 -3,-0.5 4,-1.0 0.883 88.6 69.7 -71.8 -40.5 10.2 18.3 -95.9 16 28 A Q T 3< S+ 0 0 175 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.624 114.0 34.2 -53.7 -9.5 9.2 21.2 -98.1 17 29 A G T <4 S+ 0 0 43 -3,-0.8 -1,-0.3 -4,-0.3 89,-0.2 -0.106 108.4 66.3-137.8 38.5 6.3 19.0 -98.9 18 30 A T T X4 S+ 0 0 2 -3,-2.5 6,-1.1 3,-0.1 3,-1.1 0.666 70.8 88.9-124.8 -39.8 5.5 17.1 -95.7 19 31 A N T 3< S+ 0 0 95 -4,-1.0 3,-0.1 1,-0.3 4,-0.0 -0.412 100.6 14.2 -77.1 149.2 4.3 19.4 -92.9 20 32 A N T 3 S+ 0 0 112 1,-0.3 -1,-0.3 -2,-0.1 2,-0.3 0.862 110.2 115.5 40.9 42.6 0.5 20.1 -92.7 21 33 A S S <> S- 0 0 39 -3,-1.1 4,-1.6 1,-0.0 -1,-0.3 -0.773 86.7-104.2-119.3 172.4 0.4 17.1 -95.0 22 34 A S H > S+ 0 0 38 -2,-0.3 4,-1.3 1,-0.2 5,-0.1 0.806 120.6 57.2 -68.4 -29.0 -1.2 13.7 -94.3 23 35 A I H > S+ 0 0 10 2,-0.2 4,-2.2 1,-0.2 3,-0.4 0.946 104.0 51.1 -66.5 -48.0 2.3 12.2 -93.8 24 36 A A H > S+ 0 0 0 -6,-1.1 4,-1.6 1,-0.2 -2,-0.2 0.908 111.2 49.1 -52.3 -45.4 3.1 14.7 -91.1 25 37 A S H X S+ 0 0 6 -4,-1.6 4,-1.6 1,-0.2 -1,-0.2 0.752 108.2 53.4 -69.8 -25.7 -0.1 13.8 -89.3 26 38 A K H X S+ 0 0 5 -4,-1.3 4,-2.5 -3,-0.4 -1,-0.2 0.846 104.8 54.3 -76.3 -33.5 0.7 10.1 -89.7 27 39 A R H X S+ 0 0 11 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.887 105.5 55.7 -62.2 -38.1 4.0 10.6 -88.0 28 40 A S H X S+ 0 0 3 -4,-1.6 4,-2.4 1,-0.2 3,-0.4 0.959 110.2 42.9 -56.4 -53.0 2.0 12.2 -85.2 29 41 A V H X>S+ 0 0 0 -4,-1.6 5,-2.1 1,-0.2 4,-0.7 0.858 110.6 57.6 -63.1 -34.4 -0.0 9.1 -84.8 30 42 A E H <5S+ 0 0 0 -4,-2.5 -1,-0.2 3,-0.2 -2,-0.2 0.841 111.6 42.2 -65.0 -33.3 3.1 7.0 -85.1 31 43 A L H <5S+ 0 0 35 -4,-1.9 -2,-0.2 -3,-0.4 -1,-0.2 0.944 130.0 20.0 -78.1 -51.2 4.7 8.8 -82.2 32 44 A L H X5S+ 0 0 51 -4,-2.4 4,-0.7 -5,-0.2 -3,-0.2 0.952 128.5 34.4 -86.8 -57.6 1.7 9.0 -79.8 33 45 A Y T ><5S+ 0 0 0 -4,-0.7 3,-0.7 -5,-0.3 4,-0.2 0.901 108.4 57.9 -73.8 -45.3 -0.9 6.4 -80.7 34 46 A L G >4 - 0 0 53 -2,-0.3 3,-2.0 3,-0.1 4,-0.3 -0.339 46.8 -79.2 -80.4 163.4 -1.7 -3.6 -78.5 39 51 A S G >> S+ 0 0 62 1,-0.3 3,-2.3 2,-0.2 4,-0.6 0.750 122.4 59.5 -22.3 -76.8 -0.7 -6.0 -81.3 40 52 A A G 34 S+ 0 0 69 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.708 117.5 28.5 -28.3 -46.0 -3.9 -5.9 -83.3 41 53 A N G <4 S+ 0 0 13 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.079 96.4 79.9-121.8 24.8 -3.8 -2.1 -83.9 42 54 A N T <4 - 0 0 5 -3,-2.3 2,-1.6 -4,-0.3 -1,-0.2 0.533 66.3-160.3-103.3 -8.6 -0.2 -0.9 -83.9 43 55 A F S < S+ 0 0 6 -4,-0.6 2,-0.4 -3,-0.2 77,-0.2 0.198 72.6 64.6 60.5 -22.8 0.6 -2.0 -87.5 44 56 A Q + 0 0 0 -2,-1.6 8,-1.6 -10,-0.1 2,-0.3 -0.837 61.9 130.8-142.9 97.6 4.3 -1.9 -86.7 45 57 A M B -A 51 0A 12 -2,-0.4 74,-2.0 6,-0.3 75,-0.4 -0.990 39.1-136.2-154.2 136.4 5.9 -4.2 -84.2 46 58 A D > - 0 0 29 4,-2.7 3,-1.8 -2,-0.3 72,-0.1 -0.173 44.4 -87.7 -83.7-178.2 9.0 -6.5 -84.0 47 59 A K T 3 S+ 0 0 154 1,-0.3 -1,-0.1 70,-0.2 71,-0.1 0.842 128.2 52.1 -60.2 -34.4 9.2 -10.0 -82.6 48 60 A N T 3 S- 0 0 116 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.177 122.3-104.3 -89.0 16.5 10.0 -8.6 -79.1 49 61 A N S < S+ 0 0 112 -3,-1.8 2,-0.5 1,-0.2 -2,-0.1 0.710 72.5 147.0 67.0 21.8 6.9 -6.3 -79.2 50 62 A K - 0 0 144 1,-0.0 -4,-2.7 0, 0.0 -1,-0.2 -0.799 53.5-114.0 -87.5 126.6 9.1 -3.2 -79.8 51 63 A L B -A 45 0A 53 -2,-0.5 2,-0.4 -6,-0.2 -6,-0.3 -0.281 28.7-145.1 -57.0 139.7 7.3 -0.7 -82.0 52 64 A L - 0 0 33 -8,-1.6 2,-0.3 -6,-0.1 -1,-0.1 -0.860 8.6-141.7-108.5 145.6 8.9 -0.1 -85.4 53 65 A E + 0 0 59 -2,-0.4 -26,-0.0 1,-0.1 -8,-0.0 -0.844 35.2 147.9-111.7 146.7 9.0 3.2 -87.2 54 66 A Y S > S+ 0 0 4 -2,-0.3 3,-2.4 -10,-0.0 4,-0.4 0.503 70.6 63.5-136.9 -45.3 8.6 4.1 -90.9 55 67 A F G >> S+ 0 0 3 1,-0.3 4,-2.4 2,-0.2 3,-1.0 0.715 92.6 72.2 -60.6 -17.6 7.0 7.5 -91.2 56 68 A K G 34 S+ 0 0 72 1,-0.2 -1,-0.3 2,-0.2 5,-0.1 0.701 83.0 69.7 -69.1 -19.9 10.1 8.8 -89.5 57 69 A F G <4 S+ 0 0 16 -3,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.769 115.0 23.4 -71.8 -24.3 12.0 8.1 -92.7 58 70 A F T <4 S+ 0 0 2 -3,-1.0 -2,-0.2 -4,-0.4 -1,-0.2 0.672 139.1 28.2-110.9 -27.2 10.2 11.0 -94.5 59 71 A V < + 0 0 5 -4,-2.4 4,-0.2 1,-0.1 -2,-0.2 -0.689 64.9 165.5-133.9 81.8 9.2 13.1 -91.5 60 72 A P + 0 0 74 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.869 45.7 100.5 -61.6 -43.3 11.7 12.5 -88.6 61 73 A K S S- 0 0 156 1,-0.2 2,-1.1 -5,-0.1 -2,-0.0 0.012 88.9-101.2 -45.9 148.1 10.6 15.5 -86.5 62 74 A K - 0 0 157 -31,-0.0 2,-0.3 2,-0.0 -1,-0.2 -0.664 48.0-162.7 -71.1 101.9 8.4 15.0 -83.5 63 75 A I - 0 0 15 -2,-1.1 2,-0.3 -4,-0.2 -32,-0.1 -0.649 7.4-168.2 -90.8 145.9 5.0 16.0 -85.0 64 76 A K + 0 0 175 -2,-0.3 2,-0.3 -33,-0.1 -36,-0.1 -0.983 8.3 173.1-136.5 148.1 2.0 16.9 -82.8 65 77 A R - 0 0 53 -2,-0.3 5,-0.0 -37,-0.1 -2,-0.0 -0.973 40.4 -80.9-148.7 157.3 -1.7 17.4 -83.5 66 78 A S > - 0 0 46 -2,-0.3 4,-1.7 1,-0.1 5,-0.1 -0.123 47.9-106.5 -54.2 157.2 -4.9 18.0 -81.7 67 79 A P H > S+ 0 0 28 0, 0.0 4,-1.2 0, 0.0 -1,-0.1 0.641 120.0 54.9 -63.4 -15.1 -6.7 14.9 -80.3 68 80 A C H > S+ 0 0 0 2,-0.2 4,-1.8 3,-0.1 5,-0.1 0.891 107.0 45.9 -85.0 -44.2 -9.3 15.2 -83.0 69 81 A I H > S+ 0 0 16 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.817 114.1 52.9 -64.4 -29.7 -6.8 15.2 -86.0 70 82 A N H X S+ 0 0 2 -4,-1.7 4,-1.9 2,-0.2 5,-0.2 0.943 107.5 45.9 -74.2 -48.6 -5.0 12.3 -84.4 71 83 A R H X S+ 0 0 1 -4,-1.2 4,-2.6 2,-0.2 5,-0.2 0.908 113.8 53.2 -59.1 -41.1 -8.0 9.9 -83.9 72 84 A G H X S+ 0 0 0 -4,-1.8 4,-1.2 1,-0.2 -2,-0.2 0.957 109.8 46.1 -56.5 -52.3 -9.0 10.8 -87.4 73 85 A Y H X S+ 0 0 23 -4,-2.1 4,-1.2 1,-0.2 -1,-0.2 0.703 110.1 53.5 -72.2 -18.3 -5.6 9.9 -88.8 74 86 A W H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 3,-0.3 0.905 108.8 49.9 -72.7 -43.3 -5.5 6.7 -86.8 75 87 A L H X S+ 0 0 0 -4,-2.6 4,-1.0 1,-0.2 -2,-0.2 0.786 109.4 55.5 -56.4 -27.4 -8.9 5.9 -88.4 76 88 A R H X S+ 0 0 5 -4,-1.2 4,-1.4 2,-0.2 -1,-0.2 0.823 108.0 42.9 -84.0 -33.5 -7.2 6.7 -91.7 77 89 A L H X S+ 0 0 18 -4,-1.2 4,-2.2 -3,-0.3 -2,-0.2 0.837 116.2 51.0 -74.5 -34.0 -4.4 4.2 -91.4 78 90 A F H X S+ 0 0 27 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.725 103.9 60.7 -75.9 -23.4 -6.9 1.7 -90.1 79 91 A A H X S+ 0 0 0 -4,-1.0 4,-1.6 -5,-0.2 -2,-0.2 0.986 111.2 36.2 -63.3 -61.4 -9.1 2.5 -93.2 80 92 A I H X S+ 0 0 6 -4,-1.4 4,-2.8 1,-0.2 5,-0.2 0.925 119.4 50.4 -57.9 -46.7 -6.5 1.4 -95.7 81 93 A R H X S+ 0 0 16 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.832 107.2 51.8 -67.7 -34.8 -5.2 -1.5 -93.5 82 94 A S H X S+ 0 0 6 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.895 114.1 44.9 -67.0 -38.2 -8.6 -3.0 -92.8 83 95 A R H X S+ 0 0 2 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.938 112.3 49.1 -71.4 -49.4 -9.4 -3.0 -96.5 84 96 A L H X S+ 0 0 2 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.869 111.1 54.7 -55.7 -35.7 -6.0 -4.4 -97.6 85 97 A N H X S+ 0 0 36 -4,-1.8 4,-3.0 -5,-0.2 5,-0.3 0.931 102.9 52.3 -62.3 -49.4 -6.5 -7.0 -94.9 86 98 A S H X S+ 0 0 7 -4,-1.9 4,-1.2 1,-0.2 -1,-0.2 0.861 113.1 47.0 -58.6 -34.9 -9.9 -8.2 -96.2 87 99 A I H X S+ 0 0 1 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.903 114.0 45.4 -72.6 -44.2 -8.2 -8.7 -99.6 88 100 A I H < S+ 0 0 6 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.861 112.3 51.9 -68.5 -36.6 -5.2 -10.5 -98.3 89 101 A E H < S+ 0 0 106 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.853 118.2 35.2 -67.7 -35.8 -7.2 -12.8 -96.0 90 102 A Q H < S+ 0 0 70 -4,-1.2 -2,-0.2 -5,-0.3 -3,-0.1 0.863 93.1 91.3 -92.6 -41.1 -9.6 -14.0 -98.7 91 103 A T S < S- 0 0 7 -4,-2.2 6,-0.1 -5,-0.2 251,-0.0 -0.384 94.7 -93.6 -59.9 129.1 -7.4 -14.1 -101.9 92 104 A P > - 0 0 74 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.121 36.7-116.2 -48.9 139.0 -5.9 -17.7 -102.3 93 105 A Q T 3 S+ 0 0 178 1,-0.3 -2,-0.1 -4,-0.1 34,-0.1 0.460 108.7 51.7 -67.3 -3.9 -2.5 -17.8 -100.7 94 106 A D T 3 S+ 0 0 138 2,-0.1 -1,-0.3 33,-0.0 2,-0.1 0.631 84.0 101.4-105.9 -19.8 -0.6 -18.5 -104.0 95 107 A K S < S- 0 0 68 -3,-1.6 2,-0.4 1,-0.1 110,-0.1 -0.405 76.5-118.4 -66.2 140.1 -2.0 -15.6 -106.1 96 108 A K E -b 205 0B 109 108,-0.5 110,-2.0 -2,-0.1 2,-0.4 -0.694 28.1-157.3 -79.0 126.2 0.2 -12.6 -106.6 97 109 A I E -bc 206 128B 0 30,-2.4 32,-2.3 -2,-0.4 2,-0.5 -0.893 3.2-160.0-106.5 136.6 -1.4 -9.4 -105.2 98 110 A V E -bc 207 129B 9 108,-2.9 110,-3.2 -2,-0.4 2,-0.6 -0.961 4.3-160.5-122.0 122.1 -0.3 -6.0 -106.4 99 111 A V E -bc 208 130B 5 30,-2.9 32,-2.7 -2,-0.5 2,-0.6 -0.880 8.8-169.7 -99.5 118.3 -0.9 -2.8 -104.5 100 112 A V E -bc 209 131B 0 108,-2.7 110,-2.6 -2,-0.6 2,-0.8 -0.931 8.1-155.5-114.6 108.9 -0.8 0.3 -106.7 101 113 A N E > -bc 210 132B 10 30,-2.1 32,-1.9 -2,-0.6 3,-0.9 -0.746 9.2-148.2 -89.9 107.1 -0.7 3.5 -104.7 102 114 A L E 3 S- c 0 133B 0 108,-2.8 110,-0.4 -2,-0.8 113,-0.2 -0.635 83.4 -3.8 -83.3 104.0 -2.1 6.3 -106.9 103 115 A G T 3 S+ 0 0 12 30,-2.5 -1,-0.3 -2,-0.9 31,-0.2 0.912 80.9 176.1 80.7 48.7 -0.3 9.6 -106.0 104 116 A C X - 0 0 10 29,-1.4 3,-2.0 -3,-0.9 5,-0.1 0.745 6.9-176.9 -61.2 -27.4 1.5 7.9 -103.1 105 117 A G T 3 - 0 0 14 1,-0.2 -1,-0.2 28,-0.2 -2,-0.1 -0.377 69.5 -30.1 55.5-139.9 3.5 11.0 -102.2 106 118 A Y T 3 S+ 0 0 18 -89,-0.2 -1,-0.2 -92,-0.1 -48,-0.1 0.228 92.3 146.8 -93.6 16.5 5.9 10.0 -99.4 107 119 A D < - 0 0 9 -3,-2.0 -6,-0.1 1,-0.2 -3,-0.0 -0.347 35.8-160.5 -55.5 118.4 3.6 7.4 -98.0 108 120 A P >> + 0 0 1 0, 0.0 4,-1.8 0, 0.0 3,-0.9 0.226 51.5 124.0 -87.0 12.0 5.8 4.6 -96.6 109 121 A L H 3> + 0 0 19 1,-0.3 4,-1.6 2,-0.2 5,-0.2 0.830 67.2 55.0 -45.5 -48.0 3.0 2.0 -96.7 110 122 A P H 3> S+ 0 0 2 0, 0.0 4,-2.9 0, 0.0 3,-0.3 0.924 110.5 45.9 -53.1 -45.2 4.9 -0.5 -98.9 111 123 A F H <> S+ 0 0 0 -3,-0.9 4,-1.0 1,-0.3 -2,-0.2 0.852 106.8 57.1 -71.4 -35.2 7.8 -0.6 -96.5 112 124 A Q H < S+ 0 0 7 -4,-1.8 -1,-0.3 1,-0.2 -3,-0.1 0.859 118.2 36.2 -56.1 -34.7 5.6 -0.9 -93.4 113 125 A L H < S+ 0 0 0 -4,-1.6 -2,-0.2 -3,-0.3 11,-0.2 0.823 113.9 52.3 -93.1 -35.4 4.2 -4.0 -95.1 114 126 A L H < S+ 0 0 11 -4,-2.9 2,-0.8 -5,-0.2 -3,-0.2 0.584 81.8 108.3 -78.4 -11.3 7.3 -5.5 -96.8 115 127 A D >< - 0 0 17 -4,-1.0 3,-2.4 -5,-0.2 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0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.853 108.4 60.3 -88.9 -39.5 -10.3 11.4 -111.9 224 236 A D H X S+ 0 0 12 -4,-3.1 4,-2.1 -5,-0.3 -2,-0.2 0.796 103.1 55.6 -55.9 -29.2 -13.2 9.4 -113.3 225 237 A S H X S+ 0 0 34 -4,-1.2 4,-3.2 -5,-0.2 -1,-0.2 0.916 103.7 51.5 -73.0 -42.6 -10.8 8.4 -116.1 226 238 A I H X S+ 0 0 0 -4,-0.7 4,-1.3 1,-0.2 -2,-0.2 0.947 112.7 47.5 -55.7 -48.4 -8.2 7.1 -113.8 227 239 A I H X S+ 0 0 0 -4,-2.1 4,-1.2 1,-0.2 3,-0.3 0.901 114.6 45.1 -58.1 -46.8 -10.9 5.0 -112.1 228 240 A E H X S+ 0 0 82 -4,-2.1 4,-0.6 1,-0.2 3,-0.3 0.893 104.8 61.1 -69.3 -42.4 -12.3 3.7 -115.4 229 241 A A H >< S+ 0 0 19 -4,-3.2 3,-0.5 1,-0.2 -1,-0.2 0.842 108.2 45.9 -51.5 -36.5 -8.9 2.9 -116.9 230 242 A T H >< S+ 0 0 0 -4,-1.3 3,-2.7 -3,-0.3 -1,-0.2 0.785 94.9 73.8 -80.3 -29.0 -8.3 0.4 -114.1 231 243 A S H 3< S+ 0 0 15 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.705 89.6 63.3 -57.1 -19.2 -11.8 -1.2 -114.3 232 244 A K T << S+ 0 0 149 -4,-0.6 2,-0.8 -3,-0.5 -1,-0.3 0.379 78.7 95.2 -92.1 3.7 -10.5 -2.9 -117.5 233 245 A M S < S- 0 0 16 -3,-2.7 -26,-0.1 -31,-0.0 105,-0.1 -0.863 86.6-120.7 -91.8 109.8 -7.9 -4.8 -115.5 234 246 A E S S+ 0 0 114 -2,-0.8 -27,-0.2 -33,-0.4 -29,-0.1 -0.195 89.3 15.7 -53.9 137.3 -9.5 -8.1 -114.8 235 247 A N S S+ 0 0 24 103,-0.3 -28,-2.2 1,-0.2 2,-0.4 0.992 90.4 154.0 62.8 67.6 -9.7 -8.9 -111.1 236 248 A S E -f 207 0B 0 -30,-0.2 102,-1.5 -5,-0.1 2,-0.4 -0.974 34.4-154.9-132.2 141.8 -9.1 -5.5 -109.6 237 249 A H E -fG 208 337B 0 -30,-3.8 -28,-3.4 -2,-0.4 2,-0.5 -0.873 8.7-159.0-104.1 144.7 -10.0 -3.7 -106.3 238 250 A F E -fG 209 336B 0 98,-2.6 98,-2.8 -2,-0.4 2,-0.6 -0.985 5.7-170.1-123.6 122.8 -10.2 0.1 -106.1 239 251 A I E -fG 210 335B 0 -30,-3.9 -28,-3.5 -2,-0.5 2,-0.5 -0.948 6.5-176.5-113.7 117.9 -9.9 1.7 -102.7 240 252 A I E -fG 211 334B 0 94,-2.4 94,-2.4 -2,-0.6 2,-0.5 -0.955 9.4-176.9-120.2 129.8 -10.7 5.4 -102.5 241 253 A L E +fG 212 333B 0 -30,-2.7 -28,-3.0 -2,-0.5 2,-0.3 -0.967 33.1 120.7-124.8 111.4 -10.4 7.6 -99.4 242 254 A E E - G 0 332B 2 90,-1.5 90,-3.2 -2,-0.5 -2,-0.0 -0.973 55.4 -63.4-164.5 175.8 -11.5 11.2 -99.8 243 255 A Q E - G 0 331B 2 -2,-0.3 2,-0.3 88,-0.2 88,-0.3 -0.185 34.6-166.7 -73.5 155.2 -13.8 14.0 -98.8 244 256 A L - 0 0 1 86,-1.4 32,-0.2 4,-0.0 31,-0.2 -0.953 18.3-158.6-132.2 154.6 -17.6 14.3 -99.0 245 257 A I > + 0 0 0 30,-1.4 3,-3.1 -2,-0.3 31,-0.2 -0.475 20.4 178.4-127.0 63.3 -19.9 17.2 -98.7 246 258 A P T 3 S+ 0 0 32 0, 0.0 30,-0.1 0, 0.0 -1,-0.1 0.597 78.6 32.6 -43.9 -26.7 -23.1 15.2 -97.9 247 259 A K T 3 S- 0 0 70 1,-0.4 3,-0.2 28,-0.1 29,-0.0 0.142 122.3 -86.0-122.6 20.1 -25.3 18.3 -97.4 248 260 A G X - 0 0 11 -3,-3.1 3,-1.4 1,-0.1 -1,-0.4 -0.227 55.1 -62.1 98.8 169.6 -23.8 20.7 -99.9 249 261 A P T 3 S+ 0 0 51 0, 0.0 -1,-0.1 0, 0.0 9,-0.1 0.179 126.8 61.2 -77.5 17.8 -21.0 23.3 -99.9 250 262 A F T 3 + 0 0 76 -3,-0.2 -2,-0.1 -5,-0.1 6,-0.0 0.318 65.1 121.6-129.8 3.1 -22.8 25.2 -97.1 251 263 A E S <> S- 0 0 7 -3,-1.4 4,-3.5 1,-0.1 5,-0.3 -0.505 79.4-109.6 -60.5 136.6 -23.0 22.7 -94.3 252 264 A P H > S+ 0 0 13 0, 0.0 4,-1.0 0, 0.0 -1,-0.1 0.830 118.3 33.9 -40.6 -52.1 -21.2 24.3 -91.4 253 265 A F H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.891 117.3 54.8 -71.4 -43.0 -18.2 22.0 -91.6 254 266 A S H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.914 102.7 57.4 -56.6 -45.4 -18.3 21.7 -95.4 255 267 A K H X S+ 0 0 49 -4,-3.5 4,-1.6 1,-0.2 -1,-0.2 0.917 111.4 41.6 -52.6 -48.6 -18.1 25.4 -95.8 256 268 A Q H X S+ 0 0 38 -4,-1.0 4,-2.1 -5,-0.3 -1,-0.2 0.873 111.2 55.5 -69.4 -40.6 -14.9 25.6 -93.9 257 269 A M H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.929 110.5 42.8 -59.2 -51.7 -13.3 22.5 -95.5 258 270 A L H X S+ 0 0 17 -4,-2.2 4,-2.2 1,-0.2 10,-0.2 0.932 114.8 51.6 -60.8 -45.4 -13.6 23.7 -99.1 259 271 A A H X S+ 0 0 36 -4,-1.6 4,-1.7 -5,-0.3 -1,-0.2 0.839 106.6 54.6 -62.6 -35.5 -12.5 27.2 -98.2 260 272 A H H X S+ 0 0 20 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.959 109.6 45.3 -63.2 -50.9 -9.4 25.9 -96.4 261 273 A F H <>S+ 0 0 12 -4,-1.9 5,-2.8 1,-0.2 -2,-0.2 0.848 107.1 59.5 -64.6 -35.2 -8.2 23.9 -99.5 262 274 A K H ><5S+ 0 0 143 -4,-2.2 3,-1.5 3,-0.2 -1,-0.2 0.924 105.3 50.1 -55.1 -44.8 -8.9 26.9 -101.7 263 275 A R H 3<5S+ 0 0 152 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.906 108.1 51.4 -61.1 -42.7 -6.5 28.9 -99.6 264 276 A N T 3<5S- 0 0 91 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.373 115.5-120.3 -74.3 8.2 -3.9 26.1 -99.9 265 277 A D T < 5S+ 0 0 146 -3,-1.5 -3,-0.2 -5,-0.2 -2,-0.1 0.903 89.6 104.4 45.6 47.5 -4.5 26.3 -103.7 266 278 A S < - 0 0 33 -5,-2.8 -4,-0.2 -6,-0.1 -1,-0.1 -0.402 57.9-169.9-144.7 62.4 -5.5 22.7 -103.7 267 279 A P - 0 0 48 0, 0.0 2,-0.7 0, 0.0 -8,-0.1 0.017 29.1-112.8 -50.0 156.4 -9.3 23.0 -104.0 268 280 A L + 0 0 5 -10,-0.2 -51,-0.2 1,-0.2 4,-0.1 -0.890 48.7 160.6 -89.6 117.6 -11.5 20.0 -103.6 269 281 A Q >> + 0 0 50 -53,-1.6 3,-1.5 -2,-0.7 4,-0.7 0.856 61.9 52.2-104.3 -54.9 -13.0 19.5 -107.1 270 282 A S H >> S+ 0 0 0 -54,-0.8 4,-2.4 -52,-0.8 3,-0.9 0.836 101.9 63.1 -53.8 -37.4 -14.3 15.9 -107.5 271 283 A V H 34 S+ 0 0 5 -55,-0.5 -26,-0.3 1,-0.3 -1,-0.3 0.799 91.6 66.6 -62.4 -27.0 -16.4 16.2 -104.3 272 284 A L H <4 S+ 0 0 95 -3,-1.5 3,-0.3 1,-0.2 -1,-0.3 0.900 110.2 35.2 -59.7 -40.7 -18.3 19.0 -106.0 273 285 A K H << S+ 0 0 91 -3,-0.9 2,-0.8 -4,-0.7 -2,-0.2 0.897 124.3 44.5 -77.0 -42.0 -19.7 16.4 -108.4 274 286 A Y < + 0 0 17 -4,-2.4 -1,-0.2 1,-0.2 -29,-0.2 -0.692 65.1 159.9-111.9 79.9 -19.8 13.6 -105.9 275 287 A N + 0 0 49 -2,-0.8 -30,-1.4 -3,-0.3 -1,-0.2 0.909 56.2 33.5 -64.9 -49.9 -21.4 15.0 -102.7 276 288 A T S > S- 0 0 52 -32,-0.2 4,-0.8 -31,-0.2 56,-0.0 -0.403 82.4-101.5-111.6 178.9 -22.6 11.9 -100.8 277 289 A I H >> S+ 0 0 29 2,-0.2 4,-1.2 1,-0.2 3,-1.0 0.935 121.3 48.4 -61.7 -50.2 -21.9 8.2 -100.2 278 290 A E H 3> S+ 0 0 93 1,-0.3 4,-2.0 2,-0.2 3,-0.3 0.875 103.2 63.5 -62.2 -37.9 -24.5 6.9 -102.6 279 291 A S H 3> S+ 0 0 22 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.818 101.6 51.4 -51.4 -35.3 -23.1 9.4 -105.2 280 292 A Q H S+ 0 0 0 -4,-2.3 5,-1.3 2,-0.2 -2,-0.2 0.829 114.9 50.7 -70.7 -32.2 -18.0 3.4 -109.5 285 297 A N H ><5S+ 0 0 75 -4,-2.4 3,-1.7 1,-0.2 -2,-0.2 0.963 111.5 47.9 -63.4 -53.2 -20.7 1.3 -111.1 286 298 A K H 3<5S+ 0 0 147 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.816 111.6 52.4 -55.7 -32.3 -20.9 3.7 -114.0 287 299 A L T 3<5S- 0 0 11 -4,-1.5 -56,-0.3 2,-0.2 -1,-0.3 0.236 129.8 -82.9 -98.3 14.0 -17.1 3.6 -114.4 288 300 A G T < 5S+ 0 0 37 -3,-1.7 2,-0.7 1,-0.2 -3,-0.2 -0.211 97.1 106.7 122.4 -43.8 -16.6 -0.2 -114.4 289 301 A F < + 0 0 0 -5,-1.3 49,-0.2 1,-0.2 -2,-0.2 -0.620 37.9 177.4 -80.0 112.8 -16.7 -1.4 -110.9 290 302 A A + 0 0 60 -2,-0.7 2,-0.5 47,-0.5 -1,-0.2 0.535 62.8 66.8 -93.4 -10.3 -20.0 -3.2 -110.3 291 303 A Y E +H 337 0B 88 46,-1.8 46,-2.8 -7,-0.1 2,-0.4 -0.958 64.8 173.2-121.0 115.2 -19.4 -4.3 -106.7 292 304 A V E -H 336 0B 37 -2,-0.5 2,-0.4 44,-0.2 44,-0.2 -0.978 20.6-178.2-133.4 134.5 -19.1 -1.5 -104.1 293 305 A N E +H 335 0B 8 42,-2.7 42,-2.7 -2,-0.4 2,-0.4 -0.955 27.9 162.4-130.9 109.1 -18.9 -1.4 -100.3 294 306 A V E +H 334 0B 18 -2,-0.4 2,-0.3 40,-0.2 40,-0.2 -0.979 11.5 141.5-143.3 141.0 -18.8 2.1 -98.9 295 307 A G E -H 333 0B 0 38,-1.9 38,-3.2 -2,-0.4 2,-0.1 -0.960 43.0 -92.6-160.8 171.7 -19.3 4.2 -95.7 296 308 A D E >> -H 332 0B 13 -2,-0.3 4,-1.4 36,-0.3 3,-1.3 -0.357 48.0 -90.5 -89.9 173.3 -17.9 7.2 -93.9 297 309 A M H 3> S+ 0 0 1 34,-1.9 4,-1.4 31,-1.3 32,-0.1 0.776 122.5 58.7 -55.0 -30.4 -15.2 7.3 -91.2 298 310 A F H 3> S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.805 101.4 52.8 -75.4 -28.0 -17.7 7.0 -88.4 299 311 A Q H <> S+ 0 0 41 -3,-1.3 4,-1.2 2,-0.2 -1,-0.2 0.844 109.5 52.0 -68.5 -32.5 -19.1 3.7 -89.7 300 312 A L H < S+ 0 0 1 -4,-1.4 4,-0.4 2,-0.2 -2,-0.2 0.817 109.0 50.2 -68.9 -32.7 -15.4 2.6 -89.6 301 313 A W H >< S+ 0 0 0 -4,-1.4 3,-1.3 2,-0.2 -2,-0.2 0.924 109.4 47.8 -73.2 -47.4 -15.2 3.7 -86.0 302 314 A E H 3< S+ 0 0 84 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.828 104.7 66.6 -58.1 -30.4 -18.3 1.9 -84.8 303 315 A S T 3< S+ 0 0 54 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.684 77.9 100.6 -67.6 -21.9 -16.8 -1.1 -86.7 304 316 A A S < S- 0 0 7 -3,-1.3 2,-0.1 -4,-0.4 5,-0.0 -0.414 83.1-109.5 -67.0 139.3 -13.8 -1.4 -84.3 305 317 A D >> - 0 0 95 1,-0.1 3,-2.0 -2,-0.1 4,-1.6 -0.390 30.1-111.0 -67.5 149.4 -14.1 -4.1 -81.7 306 318 A E H 3> S+ 0 0 145 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.757 117.3 62.1 -57.8 -26.5 -14.7 -2.8 -78.2 307 319 A A H 3> S+ 0 0 64 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.827 106.7 47.0 -66.1 -29.8 -11.2 -4.0 -77.1 308 320 A T H <> S+ 0 0 5 -3,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.917 109.8 49.7 -79.2 -46.2 -9.8 -1.5 -79.7 309 321 A K H X S+ 0 0 31 -4,-1.6 4,-3.0 1,-0.2 5,-0.3 0.924 106.2 57.9 -57.8 -44.7 -11.9 1.5 -78.8 310 322 A K H X S+ 0 0 131 -4,-2.1 4,-0.8 1,-0.2 -1,-0.2 0.888 109.5 44.6 -53.6 -44.0 -11.1 1.1 -75.1 311 323 A E H >< S+ 0 0 51 -4,-1.0 3,-0.6 2,-0.2 -1,-0.2 0.928 112.9 51.2 -64.1 -47.7 -7.4 1.4 -75.9 312 324 A L H >X S+ 0 0 1 -4,-2.3 3,-2.1 1,-0.2 4,-0.6 0.928 106.3 53.1 -57.2 -49.1 -8.0 4.3 -78.2 313 325 A L H 3< S+ 0 0 38 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.771 110.9 49.3 -57.8 -26.9 -10.0 6.3 -75.7 314 326 A K T << S+ 0 0 175 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.345 89.2 85.3 -95.9 3.6 -7.1 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