==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 02-JUN-10 3NAS . COMPND 2 MOLECULE: BETA-PHOSPHOGLUCOMUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR Z.ZHANG,S.K.BURLEY,S.SWAMINATHAN,NEW YORK SGX RESEARCH CENTE . 412 7 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21374.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 299 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 10.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 17 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 166 40.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.9 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 0 0 2 2 2 2 3 1 0 1 0 3 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 3 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 0 0 0 PARALLEL BRIDGES PER LADDER . 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 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 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A L 0 0 32 0, 0.0 156,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 116.0 80.9 68.0 34.2 2 2 A K + 0 0 112 154,-2.1 107,-2.8 1,-0.2 2,-0.4 0.751 360.0 24.9-113.0 -33.0 77.2 67.2 34.4 3 3 A A E -ab 109 157A 0 153,-1.3 155,-1.8 105,-0.2 2,-0.4 -0.988 48.3-156.9-138.2 148.8 76.5 63.8 36.0 4 4 A V E -ab 110 158A 0 105,-2.7 107,-2.9 -2,-0.4 2,-0.5 -0.994 14.9-159.8-121.7 126.3 78.0 61.4 38.4 5 5 A I E -ab 111 159A 0 153,-2.9 155,-2.3 -2,-0.4 2,-0.3 -0.897 10.4-161.6-106.7 124.7 76.9 57.7 38.2 6 6 A F E -ab 112 160A 0 105,-3.0 107,-4.1 -2,-0.5 2,-0.3 -0.708 11.0-151.3-103.3 154.3 77.5 55.5 41.1 7 7 A D - 0 0 22 153,-0.9 107,-0.2 -2,-0.3 5,-0.1 -0.675 22.3-127.6-105.2 176.4 77.6 51.8 41.6 8 8 A L S >>>S+ 0 0 2 -2,-0.3 4,-3.5 105,-0.2 5,-2.4 0.959 74.1 77.4 -91.8 -61.1 76.6 50.2 44.9 9 9 A D B 345S-f 13 0B 58 1,-0.3 153,-0.2 2,-0.2 5,-0.2 -0.236 114.4 -9.6 -62.1 135.6 79.2 47.9 46.3 10 10 A G T 345S+ 0 0 19 3,-2.1 -1,-0.3 1,-0.2 180,-0.2 0.418 132.9 67.0 62.1 -7.3 82.3 49.2 47.9 11 11 A V T <45S- 0 0 0 -3,-1.0 -2,-0.2 2,-0.3 -1,-0.2 0.774 123.8 -2.2-106.3 -46.7 81.3 52.6 46.6 12 12 A I T <5S+ 0 0 1 -4,-3.5 81,-1.7 1,-0.3 2,-0.4 0.732 132.4 42.3-113.2 -37.6 78.1 53.3 48.6 13 13 A T B + 0 0 58 77,-0.5 4,-1.7 -2,-0.4 3,-0.2 -0.448 47.5 153.5 -87.8 60.3 80.3 48.3 52.6 15 15 A T H > + 0 0 10 -2,-1.5 4,-2.5 1,-0.2 5,-0.3 0.922 65.1 63.6 -56.1 -46.4 79.1 45.0 51.1 16 16 A A H > S+ 0 0 62 -3,-0.3 4,-2.6 1,-0.3 -1,-0.2 0.896 103.3 47.0 -43.6 -55.7 82.6 43.5 51.5 17 17 A E H > S+ 0 0 47 -3,-0.2 4,-2.9 1,-0.2 -1,-0.3 0.938 110.2 53.8 -51.9 -48.3 82.3 43.8 55.3 18 18 A Y H X S+ 0 0 25 -4,-1.7 4,-2.3 1,-0.3 -2,-0.2 0.843 107.9 49.6 -63.0 -32.5 78.9 42.3 55.2 19 19 A H H X S+ 0 0 79 -4,-2.5 4,-2.5 2,-0.2 -1,-0.3 0.909 109.6 52.6 -68.4 -40.7 80.2 39.4 53.3 20 20 A F H X S+ 0 0 4 -4,-2.6 4,-2.5 -5,-0.3 -2,-0.2 0.976 111.8 44.5 -55.3 -55.8 83.0 39.0 55.9 21 21 A L H X S+ 0 0 39 -4,-2.9 4,-2.8 2,-0.2 5,-0.2 0.891 110.5 55.7 -57.0 -45.7 80.4 39.0 58.7 22 22 A A H X S+ 0 0 1 -4,-2.3 4,-1.9 -5,-0.2 5,-0.2 0.974 110.3 44.6 -44.6 -67.3 78.2 36.6 56.8 23 23 A W H X S+ 0 0 31 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.887 113.4 53.4 -45.2 -46.4 81.0 34.1 56.4 24 24 A K H X S+ 0 0 80 -4,-2.5 4,-2.0 -5,-0.2 3,-0.3 0.944 105.8 49.2 -58.5 -52.5 82.0 34.6 60.0 25 25 A H H X S+ 0 0 52 -4,-2.8 4,-2.8 1,-0.3 -1,-0.2 0.877 109.2 52.6 -62.9 -39.0 78.6 33.9 61.6 26 26 A I H X S+ 0 0 4 -4,-1.9 4,-1.2 -5,-0.2 -1,-0.3 0.882 108.0 54.1 -57.9 -39.3 78.2 30.7 59.6 27 27 A A H <>S+ 0 0 2 -4,-1.6 5,-3.2 -3,-0.3 -2,-0.2 0.844 106.7 49.3 -67.9 -36.7 81.6 29.7 61.0 28 28 A E H ><5S+ 0 0 102 -4,-2.0 3,-3.0 3,-0.2 -2,-0.2 0.982 110.4 50.7 -60.4 -54.3 80.5 30.3 64.5 29 29 A Q H 3<5S+ 0 0 94 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.765 116.8 41.8 -57.8 -23.1 77.4 28.2 63.8 30 30 A I T 3<5S- 0 0 32 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.284 116.7-115.8-107.1 9.4 79.9 25.6 62.5 31 31 A D T < 5S+ 0 0 148 -3,-3.0 -3,-0.2 1,-0.2 -2,-0.1 0.902 71.2 126.1 63.2 47.3 82.4 26.1 65.2 32 32 A I < - 0 0 11 -5,-3.2 -1,-0.2 -8,-0.2 -2,-0.2 -0.974 60.0-124.5-138.7 124.5 85.3 27.4 63.2 33 33 A P - 0 0 91 0, 0.0 24,-0.0 0, 0.0 -9,-0.0 -0.433 31.3-178.9 -69.4 137.5 87.1 30.7 64.0 34 34 A F + 0 0 10 -2,-0.1 4,-0.4 -10,-0.1 5,-0.2 0.902 6.1 167.0-109.3 -62.0 87.1 32.9 61.0 35 35 A D > - 0 0 73 1,-0.1 4,-1.4 3,-0.1 0, 0.0 0.417 51.6 -85.9 60.3 162.7 88.9 36.4 61.1 36 36 A R H > S+ 0 0 119 2,-0.2 4,-3.9 1,-0.2 5,-0.2 0.728 117.1 64.7 -80.1 -27.3 89.8 38.8 58.4 37 37 A D H > S+ 0 0 94 2,-0.2 4,-1.8 1,-0.2 5,-0.3 0.996 107.7 41.8 -58.9 -63.4 93.2 37.3 57.4 38 38 A X H > S+ 0 0 11 -4,-0.4 4,-1.8 1,-0.2 3,-0.3 0.908 115.8 53.9 -44.5 -46.0 91.5 34.1 56.2 39 39 A N H < S+ 0 0 40 -4,-1.4 3,-0.3 -5,-0.2 -2,-0.2 0.943 104.8 51.7 -54.2 -52.8 88.9 36.4 54.7 40 40 A E H >< S+ 0 0 122 -4,-3.9 3,-0.7 1,-0.3 -1,-0.2 0.764 109.8 49.9 -61.1 -27.3 91.5 38.5 52.8 41 41 A R H 3< S+ 0 0 161 -4,-1.8 -1,-0.3 -3,-0.3 -2,-0.2 0.839 105.9 56.8 -77.5 -32.9 93.0 35.3 51.3 42 42 A L T >< S+ 0 0 25 -4,-1.8 3,-1.5 -3,-0.3 2,-0.3 0.257 78.2 128.2 -83.5 12.6 89.5 34.1 50.3 43 43 A K T < S+ 0 0 72 -3,-0.7 3,-0.1 1,-0.3 -3,-0.0 -0.565 81.0 8.2 -67.5 126.6 89.0 37.4 48.3 44 44 A G T 3 S+ 0 0 89 -2,-0.3 2,-0.4 1,-0.3 -1,-0.3 0.601 99.4 134.9 79.2 12.1 87.9 36.5 44.8 45 45 A I < - 0 0 55 -3,-1.5 -1,-0.3 1,-0.1 5,-0.1 -0.751 65.6 -94.8 -97.9 139.9 87.5 32.8 45.6 46 46 A S > - 0 0 66 -2,-0.4 4,-3.6 1,-0.1 5,-0.2 -0.096 30.6-122.9 -42.9 143.1 84.5 30.8 44.6 47 47 A R H > S+ 0 0 58 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.962 117.1 44.2 -56.1 -52.1 81.7 30.7 47.2 48 48 A E H > S+ 0 0 48 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.859 115.4 49.8 -57.8 -37.4 81.9 26.9 47.2 49 49 A E H > S+ 0 0 109 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.923 107.4 52.7 -71.3 -46.2 85.7 27.1 47.2 50 50 A S H >X S+ 0 0 5 -4,-3.6 4,-2.1 1,-0.2 3,-1.2 0.973 107.8 52.0 -49.7 -59.9 85.8 29.5 50.1 51 51 A L H 3X S+ 0 0 6 -4,-2.3 4,-2.7 1,-0.3 -1,-0.2 0.829 106.0 54.6 -46.5 -39.5 83.7 27.2 52.2 52 52 A E H 3X S+ 0 0 58 -4,-1.3 4,-2.0 1,-0.2 -1,-0.3 0.846 107.6 50.2 -69.4 -30.9 86.0 24.3 51.5 53 53 A S H S+ 0 0 1 -4,-2.7 5,-3.5 1,-0.2 6,-0.5 0.871 109.1 52.7 -60.2 -39.0 86.2 23.5 56.4 56 56 A I H ><5S+ 0 0 99 -4,-2.0 3,-1.0 3,-0.2 -1,-0.2 0.854 105.5 53.6 -67.8 -34.6 89.8 22.5 55.8 57 57 A F H 3<5S+ 0 0 121 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.847 112.6 45.0 -65.8 -32.4 91.0 24.9 58.5 58 58 A G T 3<5S- 0 0 31 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.371 113.9-120.1 -90.8 6.1 88.5 23.2 60.9 59 59 A G T < 5S+ 0 0 52 -3,-1.0 -3,-0.2 -5,-0.1 -2,-0.1 0.933 84.9 113.3 52.4 50.4 89.5 19.8 59.7 60 60 A A >>< + 0 0 2 -5,-3.5 4,-0.7 -8,-0.2 3,-0.5 0.211 22.5 110.2-137.2 11.3 85.9 19.3 58.6 61 61 A E T 34 S+ 0 0 68 -6,-0.5 -5,-0.1 1,-0.3 -6,-0.1 0.694 90.6 45.0 -66.8 -15.1 85.9 19.1 54.8 62 62 A T T 34 S+ 0 0 126 -7,-0.2 -1,-0.3 1,-0.1 -2,-0.1 0.626 97.7 72.4 -99.6 -17.4 85.0 15.5 55.3 63 63 A K T <4 S+ 0 0 139 -3,-0.5 2,-0.4 -8,-0.1 -2,-0.2 0.732 93.1 63.9 -68.2 -22.9 82.4 16.0 58.0 64 64 A Y S < S- 0 0 56 -4,-0.7 -1,-0.0 4,-0.0 2,-0.0 -0.868 71.5-136.1-120.5 137.7 79.8 17.5 55.5 65 65 A T > - 0 0 71 -2,-0.4 4,-2.2 1,-0.1 5,-0.2 -0.240 33.8-109.3 -72.2 167.8 78.0 16.2 52.5 66 66 A N H > S+ 0 0 107 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.956 121.6 56.3 -61.1 -48.6 77.6 18.3 49.3 67 67 A A H > S+ 0 0 68 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.895 109.5 44.9 -47.2 -47.6 73.9 18.7 50.2 68 68 A E H > S+ 0 0 93 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.889 110.3 52.8 -71.5 -39.1 74.9 20.2 53.6 69 69 A K H X S+ 0 0 39 -4,-2.2 4,-2.9 2,-0.2 -1,-0.2 0.887 107.5 55.1 -61.3 -37.1 77.6 22.4 52.2 70 70 A Q H X S+ 0 0 94 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.971 109.7 44.0 -57.6 -55.4 74.9 23.7 49.8 71 71 A E H X S+ 0 0 61 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.892 110.7 57.1 -58.2 -39.6 72.6 24.6 52.7 72 72 A L H X S+ 0 0 25 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.967 110.0 43.4 -50.7 -55.3 75.6 26.1 54.4 73 73 A X H X S+ 0 0 37 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.830 110.7 56.6 -64.9 -30.1 76.2 28.3 51.4 74 74 A H H X S+ 0 0 121 -4,-2.3 4,-1.7 -5,-0.2 -1,-0.2 0.918 107.7 47.1 -67.6 -41.9 72.4 29.1 51.2 75 75 A R H X S+ 0 0 104 -4,-2.6 4,-3.6 2,-0.2 5,-0.3 0.930 104.9 58.9 -64.3 -49.2 72.4 30.3 54.8 76 76 A K H X S+ 0 0 14 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.932 109.4 47.1 -40.4 -53.4 75.4 32.5 54.3 77 77 A N H X S+ 0 0 99 -4,-1.7 4,-2.8 2,-0.2 -1,-0.2 0.843 111.5 47.8 -62.5 -40.2 73.4 34.2 51.6 78 78 A R H X S+ 0 0 155 -4,-1.7 4,-3.0 2,-0.2 -1,-0.2 0.895 111.7 51.7 -69.1 -38.6 70.3 34.6 53.7 79 79 A D H X S+ 0 0 40 -4,-3.6 4,-2.8 2,-0.2 -2,-0.2 0.945 111.4 48.6 -55.6 -50.0 72.4 36.0 56.5 80 80 A Y H X S+ 0 0 26 -4,-2.7 4,-2.8 -5,-0.3 -2,-0.2 0.941 113.1 43.9 -58.1 -54.7 73.9 38.4 54.0 81 81 A Q H X S+ 0 0 91 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.930 113.6 53.6 -58.6 -45.1 70.6 39.6 52.6 82 82 A X H X S+ 0 0 110 -4,-3.0 4,-0.8 2,-0.2 -2,-0.2 0.907 110.1 47.0 -50.4 -47.5 69.3 39.8 56.1 83 83 A L H >< S+ 0 0 46 -4,-2.8 3,-0.9 1,-0.2 -2,-0.2 0.914 110.4 52.2 -62.5 -42.6 72.3 42.0 57.0 84 84 A I H >< S+ 0 0 11 -4,-2.8 3,-1.0 1,-0.2 -1,-0.2 0.769 104.0 59.4 -63.2 -27.2 71.7 44.1 54.0 85 85 A S H 3< S+ 0 0 56 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.734 99.2 55.9 -76.5 -22.2 68.1 44.5 55.1 86 86 A K T << S+ 0 0 74 -3,-0.9 -1,-0.2 -4,-0.8 -2,-0.2 0.199 78.3 142.6 -97.4 17.2 69.0 46.1 58.4 87 87 A L < - 0 0 8 -3,-1.0 -3,-0.1 2,-0.1 5,-0.0 -0.220 26.8-175.1 -55.4 143.6 71.0 48.9 56.7 88 88 A T > - 0 0 50 38,-0.1 3,-1.5 39,-0.0 38,-0.1 -0.813 42.2 -97.0-133.5 172.7 70.8 52.3 58.4 89 89 A P G > S+ 0 0 42 0, 0.0 3,-1.0 0, 0.0 37,-0.1 0.670 119.8 66.1 -69.7 -13.0 72.2 55.7 57.5 90 90 A E G 3 S+ 0 0 26 1,-0.2 36,-0.1 209,-0.0 -3,-0.0 0.676 90.9 67.8 -77.8 -13.4 75.2 55.2 59.8 91 91 A D G < S+ 0 0 54 -3,-1.5 -77,-0.5 2,-0.0 2,-0.3 0.315 72.3 120.3 -85.2 7.3 76.2 52.4 57.3 92 92 A L S < S- 0 0 34 -3,-1.0 -79,-0.2 -79,-0.1 3,-0.1 -0.564 74.2-103.8 -78.3 137.0 76.9 54.9 54.6 93 93 A L >> - 0 0 25 -81,-1.7 3,-1.3 -2,-0.3 4,-0.5 -0.214 46.6 -92.0 -59.4 146.5 80.5 54.8 53.3 94 94 A P T 34 S+ 0 0 38 0, 0.0 -1,-0.1 0, 0.0 98,-0.1 -0.206 107.9 16.1 -59.7 151.1 82.7 57.7 54.6 95 95 A G T 3> S+ 0 0 31 199,-0.2 4,-1.5 204,-0.1 5,-0.1 0.104 99.8 99.5 79.7 -25.0 82.9 60.7 52.3 96 96 A I H <> S+ 0 0 1 -3,-1.3 4,-2.5 2,-0.2 3,-0.2 0.939 78.0 46.8 -65.9 -53.7 79.8 59.7 50.3 97 97 A G H X S+ 0 0 9 -4,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.914 113.8 49.1 -53.3 -51.1 77.1 61.9 51.9 98 98 A R H > S+ 0 0 25 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.818 110.0 53.7 -57.8 -33.0 79.2 65.0 51.8 99 99 A L H X S+ 0 0 0 -4,-1.5 4,-2.5 -3,-0.2 -2,-0.2 0.927 107.2 49.0 -70.0 -46.4 80.0 64.2 48.2 100 100 A L H X S+ 0 0 1 -4,-2.5 4,-3.0 2,-0.2 5,-0.3 0.951 108.2 56.5 -53.2 -52.9 76.4 64.0 47.2 101 101 A a H X S+ 0 0 10 -4,-2.5 4,-3.7 1,-0.2 5,-0.3 0.923 108.9 45.2 -42.7 -57.2 75.8 67.3 49.0 102 102 A Q H X S+ 0 0 36 -4,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.928 111.8 51.3 -58.9 -48.3 78.4 69.0 46.9 103 103 A L H <>S+ 0 0 0 -4,-2.5 5,-3.4 2,-0.2 -1,-0.2 0.910 116.9 40.2 -57.5 -45.7 77.2 67.6 43.7 104 104 A K H ><5S+ 0 0 46 -4,-3.0 3,-3.5 3,-0.2 -2,-0.2 0.979 112.0 55.1 -63.2 -57.2 73.6 68.7 44.5 105 105 A N H 3<5S+ 0 0 93 -4,-3.7 -1,-0.2 1,-0.3 -2,-0.2 0.722 116.1 41.6 -47.8 -22.0 74.8 72.1 45.9 106 106 A E T 3<5S- 0 0 90 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.2 0.344 116.6-115.6-110.1 1.4 76.5 72.4 42.5 107 107 A N T < 5 + 0 0 142 -3,-3.5 2,-0.5 1,-0.2 -3,-0.2 0.887 57.9 154.2 64.0 44.2 73.6 71.0 40.4 108 108 A I < - 0 0 12 -5,-3.4 -105,-0.2 -6,-0.1 -1,-0.2 -0.900 47.8-115.1 -99.4 128.2 75.3 67.9 39.1 109 109 A K E -a 3 0A 93 -107,-2.8 -105,-2.7 -2,-0.5 2,-0.4 -0.376 29.0-150.0 -64.1 138.9 73.0 65.1 38.1 110 110 A I E +a 4 0A 5 21,-0.3 23,-2.6 -107,-0.2 24,-0.7 -0.947 18.8 175.9-116.8 129.9 73.4 62.0 40.3 111 111 A G E -ac 5 134A 0 -107,-2.9 -105,-3.0 -2,-0.4 2,-0.4 -0.837 22.6-137.2-130.6 165.0 72.7 58.5 39.0 112 112 A L E -ac 6 135A 1 22,-1.8 24,-2.3 -2,-0.3 2,-0.3 -0.987 12.3-178.5-127.6 128.2 72.9 54.9 40.1 113 113 A A + 0 0 1 -107,-4.1 2,-0.3 -2,-0.4 -105,-0.2 -0.559 30.2 145.6-120.1 65.0 74.2 52.0 38.0 114 114 A S - 0 0 4 22,-0.3 5,-0.1 -2,-0.3 -2,-0.1 -0.781 48.5-145.1-107.0 148.5 73.8 48.9 40.2 115 115 A S S S+ 0 0 92 -2,-0.3 -1,-0.1 23,-0.1 2,-0.1 0.669 70.6 108.9 -79.3 -18.0 72.9 45.4 39.1 116 116 A S > - 0 0 46 1,-0.1 3,-0.7 2,-0.1 -2,-0.2 -0.347 61.0-152.7 -65.4 136.7 71.0 44.9 42.4 117 117 A R T 3 S+ 0 0 192 1,-0.2 4,-0.2 2,-0.1 -1,-0.1 0.590 95.8 57.4 -82.4 -12.3 67.2 44.8 42.1 118 118 A N T 3> S+ 0 0 60 1,-0.2 4,-2.9 2,-0.1 -1,-0.2 0.214 70.9 111.9-101.7 13.4 66.9 46.1 45.6 119 119 A A H <> S+ 0 0 3 -3,-0.7 4,-3.6 2,-0.2 5,-0.4 0.937 76.6 48.4 -55.2 -53.5 68.9 49.3 45.0 120 120 A P H > S+ 0 0 53 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.924 112.4 51.2 -54.8 -43.8 66.0 51.7 45.5 121 121 A K H > S+ 0 0 136 1,-0.2 4,-2.3 -4,-0.2 -2,-0.2 0.960 114.2 44.1 -54.6 -52.0 65.1 49.9 48.6 122 122 A I H X S+ 0 0 15 -4,-2.9 4,-1.4 2,-0.2 -1,-0.2 0.906 108.6 54.0 -63.4 -46.4 68.7 50.2 49.9 123 123 A L H <>S+ 0 0 0 -4,-3.6 5,-2.4 1,-0.2 6,-1.0 0.880 112.4 48.1 -57.1 -33.1 69.2 53.9 48.9 124 124 A R H ><5S+ 0 0 164 -4,-1.9 3,-1.5 -5,-0.4 -2,-0.2 0.928 106.0 54.7 -70.2 -44.9 66.1 54.5 50.9 125 125 A R H 3<5S+ 0 0 78 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.732 112.2 47.2 -59.4 -20.2 67.4 52.5 53.9 126 126 A L T 3<5S- 0 0 2 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.457 110.5-124.6-103.0 -8.9 70.4 54.8 53.7 127 127 A A T < 5S+ 0 0 69 -3,-1.5 -3,-0.2 -4,-0.3 -2,-0.1 0.811 87.3 95.7 71.3 34.0 68.4 58.0 53.4 128 128 A I >>< + 0 0 5 -5,-2.4 3,-1.8 2,-0.1 4,-0.6 0.347 43.7 102.8-131.2 2.4 70.1 59.2 50.2 129 129 A I T 34 S+ 0 0 25 -6,-1.0 3,-0.4 1,-0.3 -5,-0.1 0.715 75.7 62.8 -65.7 -21.5 67.6 58.0 47.6 130 130 A D T 34 S+ 0 0 137 1,-0.2 -1,-0.3 -7,-0.2 -2,-0.1 0.723 95.7 63.2 -74.7 -17.3 66.2 61.5 47.2 131 131 A D T <4 S+ 0 0 31 -3,-1.8 2,-0.3 -22,-0.0 -21,-0.3 0.782 89.2 80.2 -75.7 -31.1 69.7 62.5 46.0 132 132 A F < - 0 0 15 -4,-0.6 -21,-0.2 -3,-0.4 3,-0.1 -0.621 52.2-177.1 -81.8 135.7 69.5 60.2 43.0 133 133 A H S S+ 0 0 157 -23,-2.6 2,-0.3 -2,-0.3 -22,-0.2 0.332 75.5 34.1-110.7 3.7 67.6 61.5 40.0 134 134 A A E +c 111 0A 5 -24,-0.7 -22,-1.8 2,-0.0 2,-0.4 -0.903 57.1 179.4-158.8 126.5 68.1 58.3 38.0 135 135 A I E -c 112 0A 43 -2,-0.3 2,-0.3 -24,-0.2 -22,-0.2 -0.993 24.1-138.7-127.8 123.8 68.3 54.6 39.1 136 136 A V - 0 0 6 -24,-2.3 -22,-0.3 -2,-0.4 6,-0.0 -0.627 12.2-132.6 -83.7 136.8 68.8 52.0 36.4 137 137 A D 0 0 127 -2,-0.3 -20,-0.1 1,-0.1 -22,-0.1 -0.794 360.0 360.0 -87.6 131.1 66.9 48.8 36.5 138 138 A P 0 0 92 0, 0.0 -1,-0.1 0, 0.0 -23,-0.1 -0.032 360.0 360.0 -48.6 360.0 69.1 45.7 36.0 139 ! 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 0.0 140 148 A P 0 0 116 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-123.1 78.2 47.0 29.0 141 149 A D > + 0 0 44 2,-0.1 4,-1.4 31,-0.0 5,-0.1 -0.023 360.0 122.2-174.5 23.3 76.1 50.1 28.9 142 150 A I H > S+ 0 0 40 1,-0.2 4,-1.2 2,-0.2 -28,-0.1 0.703 87.8 57.0 -58.8 -20.3 73.9 49.9 31.9 143 151 A F H > S+ 0 0 4 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.866 97.0 55.6 -79.4 -39.1 75.8 53.1 32.1 144 152 A L H > S+ 0 0 59 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.817 107.4 52.4 -63.9 -28.7 74.7 54.5 28.8 145 153 A T H X S+ 0 0 64 -4,-1.4 4,-2.7 2,-0.2 -1,-0.2 0.920 104.3 55.2 -68.2 -45.1 71.1 54.0 30.0 146 154 A A H X S+ 0 0 0 -4,-1.2 4,-1.4 1,-0.3 -2,-0.2 0.866 109.6 47.2 -56.7 -38.7 71.9 56.0 33.2 147 155 A A H X>S+ 0 0 2 -4,-1.8 5,-2.3 2,-0.2 4,-0.7 0.810 108.5 54.5 -73.6 -33.9 73.1 58.9 31.0 148 156 A A H ><5S+ 0 0 69 -4,-1.4 3,-0.9 1,-0.2 -2,-0.2 0.950 109.6 48.1 -61.7 -48.4 70.0 58.7 28.8 149 157 A X H 3<5S+ 0 0 96 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.824 112.5 48.1 -61.9 -33.5 67.9 58.9 32.0 150 158 A L H 3<5S- 0 0 7 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.548 109.1-125.8 -86.8 -7.3 69.9 61.9 33.2 151 159 A D T <<5 + 0 0 145 -3,-0.9 2,-0.3 -4,-0.7 -3,-0.2 0.933 69.7 114.2 65.5 47.3 69.6 63.6 29.8 152 160 A V S - 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0 0 13 -5,-2.6 -1,-0.2 -6,-0.1 -2,-0.1 -0.998 59.7 -98.1-126.2 135.7 102.7 49.6 86.0 241 33 B P + 0 0 82 0, 0.0 2,-0.3 0, 0.0 22,-0.0 -0.183 48.8 173.0 -45.6 127.4 99.9 47.3 84.9 242 34 B F + 0 0 39 -10,-0.1 2,-0.3 4,-0.0 -6,-0.0 -0.979 4.4 165.5-147.8 132.4 97.4 49.2 82.6 243 35 B D > - 0 0 76 -2,-0.3 4,-2.4 1,-0.0 3,-0.5 -0.926 50.9 -99.4-144.2 166.1 94.4 47.9 80.7 244 36 B R H > S+ 0 0 124 -2,-0.3 4,-2.4 1,-0.3 5,-0.2 0.770 118.4 63.2 -62.1 -25.5 91.4 49.2 78.9 245 37 B D H > S+ 0 0 131 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.958 107.8 41.3 -62.4 -51.5 89.2 48.3 81.9 246 38 B X H > S+ 0 0 39 -3,-0.5 4,-3.4 2,-0.2 -2,-0.2 0.962 109.4 59.6 -57.2 -55.9 91.2 50.8 84.0 247 39 B N H < S+ 0 0 46 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.902 109.5 43.7 -36.8 -56.0 91.2 53.3 81.2 248 40 B E H >< S+ 0 0 61 -4,-2.4 3,-1.6 1,-0.2 -1,-0.2 0.959 113.0 50.8 -57.9 -53.0 87.4 53.3 81.3 249 41 B R H 3< S+ 0 0 88 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.888 103.5 59.5 -54.3 -43.7 87.2 53.4 85.1 250 42 B L T 3< 0 0 50 -4,-3.4 -1,-0.3 1,-0.1 -2,-0.1 0.067 360.0 360.0 -76.0 27.4 89.6 56.4 85.2 251 43 B K < 0 0 125 -3,-1.6 -2,-0.2 -5,-0.2 -1,-0.1 0.747 360.0 360.0 -97.4 360.0 87.0 58.3 83.1 252 ! 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 0.0 253 48 B E > 0 0 103 0, 0.0 4,-2.1 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 -46.3 96.1 64.1 87.4 254 49 B E H > + 0 0 170 1,-0.2 4,-2.2 2,-0.2 -4,-0.0 0.951 360.0 56.1 -45.9 -45.3 93.8 62.2 89.8 255 50 B S H > S+ 0 0 34 1,-0.2 4,-2.1 2,-0.2 5,-0.3 0.913 102.7 50.4 -52.8 -56.7 94.2 59.5 87.1 256 51 B L H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.944 110.0 50.7 -49.3 -54.4 98.0 59.4 87.2 257 52 B E H X S+ 0 0 35 -4,-2.1 4,-4.7 1,-0.2 5,-0.3 0.897 107.4 57.1 -47.9 -45.2 97.9 58.9 91.0 258 53 B S H X S+ 0 0 52 -4,-2.2 4,-3.6 -5,-0.3 5,-0.3 0.945 109.1 41.4 -54.8 -56.0 95.4 56.1 90.5 259 54 B I H X S+ 0 0 8 -4,-2.1 4,-3.3 1,-0.2 -1,-0.2 0.906 119.7 47.7 -59.7 -39.2 97.6 54.1 88.2 260 55 B L H X>S+ 0 0 1 -4,-2.8 5,-2.7 -5,-0.3 4,-0.6 0.937 114.6 43.5 -67.1 -49.4 100.5 54.9 90.5 261 56 B I H ><5S+ 0 0 86 -4,-4.7 3,-0.9 2,-0.2 5,-0.2 0.936 119.3 45.0 -59.2 -49.0 98.7 54.1 93.7 262 57 B F H 3<5S+ 0 0 112 -4,-3.6 -2,-0.2 -5,-0.3 -1,-0.2 0.910 110.9 53.4 -58.0 -46.1 97.3 51.0 91.9 263 58 B G H 3<5S- 0 0 30 -4,-3.3 -1,-0.3 -5,-0.3 -2,-0.2 0.586 114.1-120.5 -69.0 -9.8 100.8 50.2 90.6 264 59 B G T <<5S+ 0 0 66 -3,-0.9 -3,-0.2 -4,-0.6 3,-0.2 0.646 86.9 108.9 77.8 16.3 102.1 50.4 94.1 265 60 B A < + 0 0 16 -5,-2.7 4,-0.5 -6,-0.2 3,-0.2 -0.359 26.8 134.2-116.5 51.5 104.5 53.3 93.2 266 61 B E S S+ 0 0 114 1,-0.2 -1,-0.1 -5,-0.2 -5,-0.1 0.671 79.4 39.4 -77.9 -13.8 102.7 56.1 95.0 267 62 B T S S+ 0 0 134 -3,-0.2 -1,-0.2 -7,-0.1 -2,-0.1 0.553 92.8 89.5-107.2 -11.9 105.9 57.3 96.4 268 63 B K S S+ 0 0 111 -3,-0.2 2,-0.4 -8,-0.1 -2,-0.1 0.811 82.6 52.3 -60.5 -38.1 108.1 56.8 93.4 269 64 B Y - 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