==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 13-APR-11 3RIG . COMPND 2 MOLECULE: NAD-DEPENDENT DEACETYLASE SIRTUIN-5; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.ZHOU . 530 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25522.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 348 65.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 57 10.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 2 0.4 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 . 34 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 137 25.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.1 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 1 2 2 2 0 2 0 0 2 0 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 3 3 2 2 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 . 6 2 2 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 2 0 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 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 31 A S 0 0 168 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 66.8 36.8 12.9 -15.3 2 32 A F - 0 0 196 1,-0.1 2,-2.1 3,-0.0 0, 0.0 -0.387 360.0 -99.1 -65.8 142.9 36.6 14.2 -18.9 3 33 A T - 0 0 151 -2,-0.1 2,-0.8 1,-0.0 -1,-0.1 -0.491 55.6-168.5 -61.5 84.3 33.2 15.4 -20.2 4 34 A A + 0 0 61 -2,-2.1 240,-0.1 238,-0.1 -1,-0.0 -0.792 12.7 179.5 -93.0 110.5 32.7 12.1 -21.9 5 35 A R - 0 0 225 -2,-0.8 2,-0.2 238,-0.1 237,-0.1 -0.801 32.7-106.7 -98.3 147.9 29.8 12.0 -24.3 6 36 A P - 0 0 20 0, 0.0 240,-0.3 0, 0.0 239,-0.1 -0.515 32.5-111.4 -75.7 148.0 29.0 8.8 -26.2 7 37 A S B -a 246 0A 46 238,-2.3 240,-2.7 -2,-0.2 237,-0.0 -0.351 14.3-160.4 -67.5 151.7 29.7 8.4 -30.0 8 38 A S + 0 0 95 238,-0.2 2,-1.1 240,-0.1 3,-0.1 0.075 48.3 131.4-115.4 22.0 26.9 8.2 -32.5 9 39 A S > - 0 0 36 1,-0.2 4,-2.2 2,-0.1 5,-0.1 -0.633 34.8-174.7 -77.0 99.3 29.2 6.6 -35.1 10 40 A M H > S+ 0 0 28 -2,-1.1 4,-3.1 2,-0.2 5,-0.2 0.877 84.4 55.3 -57.9 -39.3 27.3 3.6 -36.5 11 41 A A H > S+ 0 0 73 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.917 107.9 48.5 -65.4 -41.8 30.3 2.5 -38.6 12 42 A D H > S+ 0 0 87 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.912 112.7 48.6 -62.2 -42.9 32.5 2.5 -35.5 13 43 A F H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 3,-0.3 0.942 108.9 52.7 -59.1 -48.0 29.9 0.4 -33.7 14 44 A R H X S+ 0 0 43 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.827 101.8 61.1 -64.7 -27.9 29.6 -2.0 -36.6 15 45 A K H X S+ 0 0 142 -4,-1.9 4,-0.9 2,-0.2 -1,-0.2 0.945 108.9 42.2 -57.5 -47.1 33.4 -2.5 -36.5 16 46 A F H >X S+ 0 0 81 -4,-1.5 4,-1.5 -3,-0.3 3,-0.9 0.919 112.2 55.3 -65.4 -40.6 33.1 -3.8 -33.0 17 47 A F H 3< S+ 0 0 9 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.828 101.9 56.3 -65.5 -34.3 30.0 -5.8 -33.9 18 48 A A H 3< S+ 0 0 54 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.814 116.4 36.6 -67.5 -26.7 31.8 -7.6 -36.7 19 49 A K H << S+ 0 0 131 -3,-0.9 -2,-0.2 -4,-0.9 -1,-0.2 0.626 86.4 117.9-100.0 -20.4 34.5 -8.9 -34.3 20 50 A A < - 0 0 4 -4,-1.5 3,-0.2 1,-0.1 181,-0.0 -0.309 37.1-174.8 -63.8 133.2 32.5 -9.6 -31.1 21 51 A K S S+ 0 0 154 1,-0.3 72,-3.1 71,-0.1 2,-0.3 0.685 78.6 28.9 -95.6 -20.6 32.5 -13.1 -29.8 22 52 A H E -b 93 0A 28 70,-0.2 180,-2.6 2,-0.0 181,-1.5 -0.853 70.0-175.4-145.8 100.7 30.0 -12.6 -26.9 23 53 A I E -bc 94 203A 0 70,-3.3 72,-2.5 -2,-0.3 2,-0.5 -0.853 8.2-159.7-105.4 128.6 27.4 -10.0 -27.2 24 54 A V E -bc 95 204A 0 179,-2.3 181,-2.7 -2,-0.5 2,-0.6 -0.945 4.6-163.3-106.2 126.6 25.1 -9.2 -24.2 25 55 A I E -bc 96 205A 0 70,-3.5 72,-3.2 -2,-0.5 2,-0.5 -0.950 0.7-164.4-112.1 113.5 21.9 -7.5 -25.1 26 56 A I E -bc 97 206A 1 179,-3.0 181,-3.6 -2,-0.6 2,-0.3 -0.865 15.3-172.2 -91.5 122.8 20.0 -5.9 -22.1 27 57 A S E +bc 98 207A 5 70,-2.1 72,-2.6 -2,-0.5 73,-0.3 -0.888 11.2 178.7-120.4 155.4 16.4 -4.9 -22.9 28 58 A G - 0 0 2 179,-1.5 181,-0.2 -2,-0.3 182,-0.2 -0.513 55.0 -43.2-132.0-157.5 13.5 -3.0 -21.2 29 59 A A S S+ 0 0 80 180,-0.3 2,-0.9 -2,-0.2 180,-0.2 0.585 92.7 104.8 -60.5 -25.1 9.9 -2.0 -21.9 30 60 A G 0 0 47 178,-1.8 -2,-0.2 177,-0.1 180,-0.0 -0.453 360.0 360.0 -54.9 100.4 10.2 -0.8 -25.5 31 61 A V 0 0 53 -2,-0.9 -2,-0.0 -4,-0.1 -1,-0.0 -0.952 360.0 360.0-150.0 360.0 8.5 -3.9 -26.9 32 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 33 74 A G 0 0 76 0, 0.0 2,-0.2 0, 0.0 7,-0.1 0.000 360.0 360.0 360.0-104.7 5.5 3.5 -14.4 34 75 A G - 0 0 46 7,-0.0 7,-3.0 2,-0.0 2,-0.4 -0.340 360.0 -99.1 107.8 157.9 2.8 3.7 -17.0 35 76 A Y E +G 40 0B 159 5,-0.2 2,-0.4 -2,-0.2 5,-0.2 -0.963 31.2 177.5-123.3 134.6 -0.9 3.9 -15.9 36 77 A W E > S-G 39 0B 3 3,-2.1 3,-2.0 -2,-0.4 114,-0.1 -0.994 77.0 -38.1-125.2 119.6 -3.7 1.4 -15.6 37 78 A R T 3 S- 0 0 10 112,-2.7 113,-0.0 -2,-0.4 111,-0.0 -0.398 125.4 -27.5 58.0-136.6 -6.9 3.1 -14.2 38 79 A K T 3 S+ 0 0 158 112,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.430 120.2 96.8 -82.8 3.7 -5.9 5.6 -11.5 39 80 A W E < S-G 36 0B 55 -3,-2.0 -3,-2.1 2,-0.0 2,-0.3 -0.757 72.2-125.3-107.1 141.3 -2.6 3.6 -10.6 40 81 A Q E > -G 35 0B 49 -2,-0.3 3,-1.5 -5,-0.2 4,-0.3 -0.575 32.6-124.9 -62.0 134.1 1.1 3.8 -11.6 41 82 A A G >> S+ 0 0 25 -7,-3.0 3,-2.0 1,-0.3 4,-2.0 0.883 109.3 60.8 -54.1 -37.9 2.1 0.4 -12.8 42 83 A Q G 34 S+ 0 0 51 1,-0.3 140,-0.3 -8,-0.3 -1,-0.3 0.791 99.6 57.6 -62.1 -26.2 5.0 0.2 -10.3 43 84 A D G <4 S+ 0 0 88 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.415 108.1 44.0 -87.1 -5.4 2.4 0.5 -7.5 44 85 A L T <4 S+ 0 0 3 -3,-2.0 2,-1.9 -4,-0.3 -1,-0.2 0.646 100.6 71.5 -96.7 -34.0 0.5 -2.5 -8.5 45 86 A A S < S+ 0 0 6 -4,-2.0 137,-2.4 4,-0.1 -1,-0.1 -0.445 82.4 96.2 -80.4 63.6 3.6 -4.5 -9.1 46 87 A T S >> S- 0 0 29 -2,-1.9 4,-2.0 135,-0.2 3,-0.5 -0.993 78.0-125.3-150.0 145.2 4.4 -4.8 -5.3 47 88 A P H 3> S+ 0 0 47 0, 0.0 4,-2.8 0, 0.0 5,-0.1 0.754 110.8 60.3 -67.6 -21.2 3.7 -7.5 -2.7 48 89 A L H 3> S+ 0 0 125 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.853 104.1 48.4 -74.3 -36.2 2.0 -5.0 -0.5 49 90 A A H <> S+ 0 0 22 -3,-0.5 4,-1.8 2,-0.2 8,-0.3 0.921 114.9 47.1 -63.3 -43.0 -0.6 -4.2 -3.2 50 91 A F H < S+ 0 0 18 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.903 110.6 50.4 -64.1 -44.3 -1.1 -8.0 -3.6 51 92 A A H < S+ 0 0 70 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.815 120.7 36.0 -59.1 -36.1 -1.4 -8.6 0.3 52 93 A H H < S+ 0 0 155 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.613 136.2 12.0-101.5 -13.2 -4.0 -5.9 0.6 53 94 A N X + 0 0 49 -4,-1.8 4,-1.9 -5,-0.1 3,-0.3 -0.351 61.0 167.5-160.3 68.4 -6.0 -6.1 -2.6 54 95 A P H > S+ 0 0 29 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.817 78.6 59.0 -59.3 -28.5 -5.2 -9.3 -4.4 55 96 A S H > S+ 0 0 7 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.939 104.6 48.2 -66.2 -45.8 -8.3 -8.8 -6.7 56 97 A R H > S+ 0 0 54 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.933 113.9 47.6 -60.6 -42.9 -7.1 -5.4 -8.0 57 98 A V H X S+ 0 0 1 -4,-1.9 4,-2.8 -8,-0.3 5,-0.2 0.927 113.1 47.7 -64.8 -41.3 -3.6 -6.9 -8.7 58 99 A W H X S+ 0 0 2 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.852 108.4 54.0 -69.6 -32.3 -5.0 -9.9 -10.4 59 100 A E H X S+ 0 0 3 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.927 111.5 47.7 -66.3 -43.1 -7.3 -7.7 -12.5 60 101 A F H X S+ 0 0 8 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.951 114.4 43.6 -58.3 -50.7 -4.2 -5.7 -13.6 61 102 A Y H X S+ 0 0 5 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.830 110.3 56.6 -71.6 -29.8 -2.2 -8.8 -14.4 62 103 A H H X S+ 0 0 7 -4,-2.7 4,-2.8 -5,-0.2 -1,-0.2 0.966 109.5 46.7 -58.3 -50.4 -5.2 -10.3 -16.2 63 104 A Y H X S+ 0 0 71 -4,-2.5 4,-3.2 1,-0.2 5,-0.2 0.953 112.9 48.1 -51.2 -50.9 -5.2 -7.2 -18.3 64 105 A R H X S+ 0 0 52 -4,-2.5 4,-2.9 1,-0.2 5,-0.3 0.908 112.4 49.4 -62.5 -41.6 -1.5 -7.4 -19.0 65 106 A R H X S+ 0 0 7 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.924 113.2 47.2 -62.1 -46.3 -1.8 -11.1 -19.9 66 107 A E H X S+ 0 0 69 -4,-2.8 4,-1.0 2,-0.2 -2,-0.2 0.931 116.9 41.7 -61.5 -46.7 -4.6 -10.4 -22.2 67 108 A V H >X S+ 0 0 36 -4,-3.2 3,-0.5 -5,-0.2 4,-0.5 0.971 121.8 39.4 -68.0 -53.9 -2.9 -7.4 -24.0 68 109 A M H >< S+ 0 0 38 -4,-2.9 3,-1.2 -5,-0.2 -2,-0.2 0.837 105.9 65.1 -64.4 -34.4 0.6 -9.0 -24.2 69 110 A G H 3< S+ 0 0 34 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.830 105.2 47.1 -60.1 -33.6 -0.7 -12.5 -25.0 70 111 A S H << S+ 0 0 81 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.636 91.0 107.7 -79.6 -17.4 -2.1 -11.1 -28.3 71 112 A K << - 0 0 93 -3,-1.2 3,-0.0 -4,-0.5 -3,-0.0 -0.335 56.5-148.8 -71.5 140.0 1.2 -9.1 -29.3 72 113 A E - 0 0 118 1,-0.1 32,-0.1 -2,-0.1 36,-0.1 -0.725 36.7 -90.4 -92.4 155.8 3.5 -10.3 -32.1 73 114 A P - 0 0 2 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.331 44.5-132.2 -58.6 146.1 7.2 -9.6 -31.8 74 115 A N > - 0 0 56 447,-0.1 4,-2.2 1,-0.1 5,-0.2 -0.399 33.5 -86.8 -93.5-176.4 8.4 -6.2 -33.3 75 116 A A H > S+ 0 0 6 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.770 127.3 55.7 -60.4 -28.4 11.3 -5.4 -35.7 76 117 A G H > S+ 0 0 4 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.951 108.5 44.9 -67.9 -51.5 13.6 -5.1 -32.7 77 118 A H H > S+ 0 0 6 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.890 114.7 49.8 -58.2 -43.6 12.8 -8.5 -31.3 78 119 A R H X S+ 0 0 26 -4,-2.2 4,-3.1 2,-0.2 5,-0.2 0.913 110.1 48.5 -65.0 -46.1 13.1 -10.1 -34.7 79 120 A A H X S+ 0 0 10 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.905 112.9 48.9 -61.7 -42.0 16.5 -8.5 -35.5 80 121 A I H X S+ 0 0 4 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.913 114.0 46.6 -62.7 -47.4 17.9 -9.6 -32.1 81 122 A A H X S+ 0 0 2 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.926 114.6 46.0 -58.1 -46.2 16.6 -13.1 -32.6 82 123 A E H X S+ 0 0 49 -4,-3.1 4,-2.6 2,-0.2 5,-0.2 0.876 109.2 54.7 -72.7 -31.8 18.0 -13.4 -36.1 83 124 A C H X S+ 0 0 0 -4,-2.4 4,-2.9 -5,-0.2 5,-0.3 0.946 107.3 52.6 -63.3 -47.7 21.3 -11.9 -35.1 84 125 A E H X S+ 0 0 10 -4,-2.1 4,-3.0 1,-0.2 -2,-0.2 0.953 111.9 44.7 -49.5 -52.5 21.6 -14.7 -32.4 85 126 A T H X S+ 0 0 52 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.924 115.4 46.3 -58.5 -47.6 20.9 -17.4 -35.0 86 127 A R H X S+ 0 0 56 -4,-2.6 4,-0.6 2,-0.2 -1,-0.2 0.945 116.1 44.2 -65.5 -45.6 23.3 -16.0 -37.6 87 128 A L H ><>S+ 0 0 3 -4,-2.9 5,-2.2 1,-0.2 3,-1.4 0.910 107.3 62.4 -68.8 -35.6 26.1 -15.4 -35.1 88 129 A G H ><5S+ 0 0 45 -4,-3.0 3,-2.1 -5,-0.3 -1,-0.2 0.903 98.6 54.6 -48.7 -49.2 25.4 -18.9 -33.5 89 130 A K H 3<5S+ 0 0 175 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.725 107.6 51.9 -62.4 -21.8 26.3 -20.6 -36.8 90 131 A Q T <<5S- 0 0 118 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.323 121.8-105.1 -93.7 6.3 29.7 -18.7 -36.7 91 132 A G T < 5S+ 0 0 72 -3,-2.1 2,-0.4 1,-0.3 -3,-0.2 0.815 80.3 133.8 74.0 31.9 30.5 -19.9 -33.1 92 133 A R < - 0 0 43 -5,-2.2 2,-0.4 -8,-0.2 -1,-0.3 -0.954 50.1-131.8-122.2 135.9 29.6 -16.4 -31.8 93 134 A R E +b 22 0A 87 -72,-3.1 -70,-3.3 -2,-0.4 2,-0.4 -0.685 22.9 175.7 -96.5 131.7 27.4 -15.8 -28.7 94 135 A V E +b 23 0A 1 -2,-0.4 2,-0.4 -72,-0.2 18,-0.3 -0.996 10.2 179.5-126.6 130.8 24.5 -13.4 -28.4 95 136 A V E -b 24 0A 1 -72,-2.5 -70,-3.5 -2,-0.4 2,-0.5 -0.988 17.7-145.8-132.2 142.5 22.5 -13.4 -25.1 96 137 A V E -bd 25 113A 0 16,-2.7 18,-2.7 -2,-0.4 2,-0.6 -0.918 6.9-168.4-107.6 126.4 19.5 -11.4 -24.2 97 138 A I E -bd 26 114A 0 -72,-3.2 -70,-2.1 -2,-0.5 2,-0.4 -0.956 21.8-166.5-108.8 108.8 19.1 -10.3 -20.6 98 139 A T E -bd 27 115A 2 16,-3.0 18,-2.1 -2,-0.6 19,-0.5 -0.859 32.8-168.0-108.7 133.1 15.5 -8.9 -20.4 99 140 A Q + 0 0 12 -72,-2.6 2,-0.2 -2,-0.4 -71,-0.2 0.451 67.8 102.9 -78.9 -7.1 13.8 -6.9 -17.7 100 141 A N - 0 0 16 -73,-0.3 17,-0.3 -72,-0.1 3,-0.2 -0.508 55.0-164.3 -87.0 152.1 10.5 -7.6 -19.6 101 142 A I + 0 0 4 -2,-0.2 19,-2.6 1,-0.1 20,-0.4 0.279 69.3 90.7-114.0 5.9 7.9 -10.1 -18.5 102 143 A D S S- 0 0 6 17,-0.2 -1,-0.1 18,-0.1 17,-0.1 0.549 82.5-134.8 -84.9 -8.2 6.0 -10.3 -21.8 103 144 A E > + 0 0 8 -3,-0.2 4,-2.3 1,-0.1 5,-0.2 0.667 61.0 135.1 67.2 16.0 7.9 -13.2 -23.4 104 145 A L H > + 0 0 2 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.869 68.2 56.1 -69.6 -32.2 8.2 -11.4 -26.7 105 146 A H H >>S+ 0 0 6 2,-0.2 5,-2.3 1,-0.2 4,-0.5 0.935 110.0 47.2 -60.1 -41.9 11.9 -12.3 -27.1 106 147 A R H >45S+ 0 0 106 1,-0.2 3,-1.4 2,-0.2 -2,-0.2 0.928 110.0 51.6 -61.8 -44.5 10.9 -16.0 -26.7 107 148 A K H 3<5S+ 0 0 82 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.864 105.7 56.7 -64.7 -32.0 8.1 -15.5 -29.2 108 149 A A H 3<5S- 0 0 6 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.621 124.7-103.4 -75.8 -10.0 10.6 -14.0 -31.7 109 150 A G T <<5 + 0 0 43 -3,-1.4 -3,-0.2 -4,-0.5 2,-0.1 0.523 63.2 158.3 104.3 8.6 12.7 -17.2 -31.4 110 151 A T < - 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0 0 45 1,-0.1 0, 0.0 7,-0.0 0, 0.0 0.464 360.0-135.4 -37.8 -30.7 21.0 11.2 -61.5 294 75 B G + 0 0 43 1,-0.2 7,-2.3 6,-0.1 2,-0.3 0.892 47.0 155.8 70.9 38.4 22.6 7.7 -62.1 295 76 B Y E -S 300 0H 149 5,-0.2 2,-0.4 6,-0.1 5,-0.2 -0.768 31.3-169.7 -96.8 143.9 25.6 9.1 -64.0 296 77 B W E > S-S 299 0H 4 3,-2.4 3,-2.0 -2,-0.3 114,-0.1 -0.972 76.8 -41.2-126.1 116.0 29.0 7.3 -64.3 297 78 B R T 3 S- 0 0 7 112,-2.7 113,-0.0 -2,-0.4 111,-0.0 -0.404 125.8 -26.6 56.0-132.2 31.4 9.9 -65.8 298 79 B K T 3 S+ 0 0 154 112,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.590 121.2 87.8 -85.0 -4.9 29.3 11.7 -68.5 299 80 B W E < S-S 296 0H 60 -3,-2.0 -3,-2.4 2,-0.0 2,-0.2 -0.687 74.1-123.4-105.8 141.4 26.9 8.8 -69.2 300 81 B Q E >> -S 295 0H 49 -2,-0.3 3,-1.9 -5,-0.2 4,-0.7 -0.583 34.1-119.0 -67.4 142.6 23.5 7.7 -67.8 301 82 B A H >> S+ 0 0 32 -7,-2.3 4,-2.2 1,-0.3 3,-1.1 0.835 112.6 60.8 -56.0 -34.0 23.9 4.1 -66.7 302 83 B Q H 34 S+ 0 0 62 1,-0.3 -1,-0.3 2,-0.2 140,-0.2 0.720 100.3 57.5 -66.7 -22.2 21.1 2.9 -69.1 303 84 B D H <4 S+ 0 0 96 -3,-1.9 -1,-0.3 1,-0.1 -2,-0.2 0.646 109.8 42.2 -81.4 -18.9 23.4 4.2 -71.9 304 85 B L H << S+ 0 0 4 -3,-1.1 2,-2.3 -4,-0.7 -2,-0.2 0.778 101.2 70.8 -91.1 -35.6 26.2 1.9 -70.9 305 86 B A S < S+ 0 0 5 -4,-2.2 137,-2.4 4,-0.1 -1,-0.2 -0.394 82.5 102.7 -79.2 64.1 24.1 -1.1 -70.2 306 87 B T S > S- 0 0 32 -2,-2.3 4,-2.0 135,-0.2 137,-0.1 -0.996 75.2-129.5-144.8 145.2 23.3 -1.7 -73.9 307 88 B P H > S+ 0 0 46 0, 0.0 4,-2.7 0, 0.0 5,-0.1 0.780 110.1 56.5 -64.7 -29.2 24.6 -4.1 -76.5 308 89 B L H > S+ 0 0 123 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.886 106.4 50.4 -68.4 -39.3 25.4 -1.2 -79.0 309 90 B A H > S+ 0 0 23 2,-0.2 4,-2.3 1,-0.2 8,-0.3 0.930 114.3 45.8 -57.7 -47.5 27.6 0.5 -76.3 310 91 B F H < S+ 0 0 18 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.923 111.5 50.0 -64.4 -43.3 29.4 -2.9 -75.9 311 92 B A H < S+ 0 0 75 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.847 122.1 34.2 -59.8 -36.1 29.8 -3.6 -79.6 312 93 B H H < S+ 0 0 151 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.673 137.0 14.0-101.1 -20.7 31.2 -0.1 -80.2 313 94 B N X + 0 0 50 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 -0.440 64.0 162.3-151.5 71.1 33.2 0.6 -77.0 314 95 B P H > S+ 0 0 28 0, 0.0 4,-2.6 0, 0.0 5,-0.1 0.788 77.7 58.0 -70.2 -29.0 33.6 -2.7 -75.1 315 96 B S H > S+ 0 0 6 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.918 107.2 47.0 -59.9 -47.6 36.5 -1.2 -73.0 316 97 B R H > S+ 0 0 53 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.953 113.7 48.0 -60.7 -46.9 34.2 1.6 -71.8 317 98 B V H X S+ 0 0 1 -4,-2.1 4,-2.3 -8,-0.3 5,-0.2 0.923 112.8 47.9 -59.0 -47.2 31.4 -0.8 -70.9 318 99 B W H X S+ 0 0 1 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.878 108.1 55.3 -63.3 -35.1 33.9 -3.2 -69.1 319 100 B E H X S+ 0 0 4 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.904 110.9 46.8 -57.9 -44.0 35.4 -0.2 -67.1 320 101 B F H X S+ 0 0 10 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.914 113.1 46.0 -65.5 -45.5 31.8 0.6 -66.0 321 102 B Y H X S+ 0 0 4 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.824 110.5 55.0 -71.7 -26.5 31.0 -3.0 -65.0 322 103 B H H X S+ 0 0 9 -4,-2.5 4,-2.8 -5,-0.2 5,-0.2 0.945 109.1 48.0 -63.0 -48.5 34.4 -3.2 -63.2 323 104 B Y H X S+ 0 0 71 -4,-2.3 4,-3.2 2,-0.2 5,-0.2 0.924 112.8 48.2 -50.4 -50.8 33.4 -0.1 -61.2 324 105 B R H X S+ 0 0 70 -4,-2.4 4,-3.0 1,-0.2 5,-0.3 0.898 112.4 48.4 -60.8 -46.4 30.0 -1.7 -60.5 325 106 B R H X S+ 0 0 9 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.885 114.1 46.2 -65.3 -39.4 31.6 -5.0 -59.4 326 107 B E H X S+ 0 0 74 -4,-2.8 4,-0.8 2,-0.2 -2,-0.2 0.949 116.7 43.3 -70.3 -46.7 34.2 -3.3 -57.2 327 108 B V H >< S+ 0 0 47 -4,-3.2 3,-0.9 -5,-0.2 -2,-0.2 0.981 121.9 37.8 -59.7 -54.6 31.7 -1.0 -55.5 328 109 B M H >< S+ 0 0 25 -4,-3.0 3,-1.9 1,-0.2 -2,-0.2 0.825 104.0 68.5 -75.3 -31.1 28.9 -3.6 -55.0 329 110 B G H 3< S+ 0 0 38 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.747 102.4 47.6 -55.3 -30.5 31.2 -6.5 -54.2 330 111 B S T << S+ 0 0 90 -3,-0.9 -1,-0.3 -4,-0.8 2,-0.2 0.321 90.3 106.6 -92.8 2.5 32.1 -4.7 -50.8 331 112 B K < - 0 0 101 -3,-1.9 3,-0.0 -4,-0.2 -3,-0.0 -0.562 56.8-150.1 -82.1 149.9 28.5 -3.9 -49.9 332 113 B E - 0 0 118 -2,-0.2 32,-0.1 1,-0.1 -2,-0.1 -0.849 30.8 -89.7-112.8 154.7 26.8 -5.9 -47.1 333 114 B P - 0 0 8 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.304 44.7-142.5 -59.8 146.0 23.0 -6.6 -46.8 334 115 B N > - 0 0 77 -73,-0.1 4,-2.3 1,-0.0 5,-0.2 -0.463 33.9 -84.9-101.1-179.9 21.1 -3.9 -44.9 335 116 B A H > S+ 0 0 6 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.817 128.5 54.8 -54.6 -30.4 18.1 -4.3 -42.5 336 117 B G H > S+ 0 0 3 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.933 109.1 44.8 -74.2 -44.7 15.7 -4.4 -45.4 337 118 B H H > S+ 0 0 22 -3,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.893 114.2 51.0 -61.2 -45.3 17.5 -7.3 -47.2 338 119 B R H X S+ 0 0 47 -4,-2.3 4,-3.2 2,-0.2 5,-0.3 0.906 107.4 52.4 -55.8 -48.7 17.8 -9.2 -43.8 339 120 B A H X S+ 0 0 1 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.916 110.8 48.3 -57.1 -42.1 14.0 -8.7 -43.0 340 121 B I H X S+ 0 0 2 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.909 113.7 46.0 -65.9 -45.7 13.1 -10.2 -46.4 341 122 B A H X S+ 0 0 5 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.914 115.2 46.1 -62.0 -46.1 15.5 -13.2 -46.0 342 123 B E H X S+ 0 0 26 -4,-3.2 4,-2.4 1,-0.2 -2,-0.2 0.834 108.0 56.9 -71.1 -29.3 14.3 -13.9 -42.4 343 124 B C H X S+ 0 0 0 -4,-2.2 4,-3.0 -5,-0.3 5,-0.3 0.949 107.7 49.3 -62.3 -47.3 10.7 -13.6 -43.4 344 125 B E H X S+ 0 0 12 -4,-1.7 4,-2.9 1,-0.2 -2,-0.2 0.962 112.4 46.0 -57.9 -54.0 11.2 -16.3 -46.0 345 126 B T H X S+ 0 0 47 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.933 115.5 47.9 -52.9 -45.1 12.9 -18.7 -43.6 346 127 B R H X S+ 0 0 43 -4,-2.4 4,-0.6 1,-0.2 -2,-0.2 0.919 115.5 41.2 -69.1 -44.9 10.2 -18.1 -41.0 347 128 B L H ><>S+ 0 0 2 -4,-3.0 5,-3.2 1,-0.2 3,-0.5 0.847 109.4 62.9 -70.6 -32.9 7.2 -18.5 -43.3 348 129 B G H ><5S+ 0 0 45 -4,-2.9 3,-2.3 -5,-0.3 -2,-0.2 0.926 99.6 51.8 -53.1 -50.2 9.0 -21.5 -44.9 349 130 B K H 3<5S+ 0 0 178 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.728 110.1 50.9 -61.7 -24.2 9.0 -23.4 -41.6 350 131 B Q T <<5S- 0 0 129 -4,-0.6 -1,-0.3 -3,-0.5 -2,-0.2 0.368 123.4-109.5 -89.5 -0.4 5.2 -22.7 -41.4 351 132 B G T < 5S+ 0 0 64 -3,-2.3 2,-0.5 1,-0.3 -3,-0.2 0.714 77.6 131.3 79.1 19.7 4.8 -24.0 -45.0 352 133 B R < - 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