==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 07-OCT-08 3ETC . COMPND 2 MOLECULE: AMP-BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOSARCINA ACETIVORANS; . AUTHOR M.B.SHAH,A.M.GULICK,K.S.SMITH,C.INGRAM-SMITH . 1068 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40638.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 751 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 95 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 144 13.5 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 . 9 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 92 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 112 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 244 22.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 23 2.2 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 4 0 8 3 1 2 6 4 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 6 2 7 5 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 . 8 7 3 0 8 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 2 0 4 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 3 A S 0 0 64 0, 0.0 3,-0.3 0, 0.0 265,-0.2 0.000 360.0 360.0 360.0 157.5 33.6 27.1 64.7 2 4 A L >> + 0 0 20 263,-1.4 3,-1.1 262,-0.4 4,-0.6 0.288 360.0 110.8 -99.1 7.8 31.1 30.0 64.6 3 5 A L G >4 S+ 0 0 8 262,-0.7 3,-1.6 1,-0.2 4,-0.3 0.859 71.5 55.2 -50.6 -49.6 33.6 32.5 63.0 4 6 A S G >4 S+ 0 0 87 1,-0.3 3,-0.6 -3,-0.3 -1,-0.2 0.736 96.9 66.4 -61.5 -27.4 32.0 32.7 59.5 5 7 A Q G <4 S+ 0 0 118 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.824 108.3 39.6 -56.4 -32.2 28.6 33.7 61.1 6 8 A F G << S+ 0 0 4 -3,-1.6 19,-3.1 -4,-0.6 2,-0.3 0.324 106.5 61.3-111.0 2.7 30.3 37.0 62.3 7 9 A V B < S-A 24 0A 6 -3,-0.6 17,-0.2 -4,-0.3 3,-0.1 -0.940 71.5-127.2-134.3 153.1 32.5 38.3 59.4 8 10 A S S S- 0 0 58 15,-2.3 2,-0.3 -2,-0.3 -1,-0.1 0.889 96.1 -15.3 -63.4 -40.3 32.1 39.3 55.8 9 11 A K - 0 0 87 14,-0.3 -1,-0.3 1,-0.1 14,-0.3 -0.963 52.7-149.4-160.8 157.1 34.9 36.9 54.8 10 12 A T S S+ 0 0 30 -2,-0.3 2,-0.4 -3,-0.1 -1,-0.1 0.742 71.7 73.2-102.9 -31.4 37.6 34.8 56.6 11 13 A D + 0 0 123 2,-0.0 2,-0.3 7,-0.0 -1,-0.1 -0.771 50.5 170.5-102.5 133.7 40.4 34.4 54.1 12 14 A F - 0 0 21 -2,-0.4 3,-0.1 1,-0.1 4,-0.0 -0.941 27.2-150.9-135.5 155.2 42.9 37.2 53.0 13 15 A E S S+ 0 0 148 -2,-0.3 2,-0.3 1,-0.2 3,-0.1 0.558 77.0 4.4-105.4 -9.5 46.0 37.2 50.9 14 16 A S S > S- 0 0 26 1,-0.1 4,-2.2 347,-0.0 -1,-0.2 -0.968 75.4 -99.5-162.3 168.2 47.9 40.1 52.5 15 17 A Y H > S+ 0 0 10 -2,-0.3 4,-3.4 2,-0.2 5,-0.2 0.919 122.0 54.2 -60.8 -43.5 47.8 42.7 55.2 16 18 A E H > S+ 0 0 101 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.887 109.9 45.9 -57.7 -44.5 46.5 45.3 52.7 17 19 A D H > S+ 0 0 28 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.922 115.0 47.7 -64.6 -47.4 43.6 43.0 51.6 18 20 A F H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.939 113.2 47.5 -58.1 -50.5 42.8 42.2 55.3 19 21 A Q H < S+ 0 0 89 -4,-3.4 355,-0.4 1,-0.2 -1,-0.2 0.853 117.9 42.8 -62.7 -36.5 42.9 45.9 56.3 20 22 A E H < S+ 0 0 153 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.858 127.2 24.4 -75.7 -39.0 40.7 46.9 53.3 21 23 A N H < S+ 0 0 69 -4,-2.5 2,-0.3 -5,-0.1 -3,-0.2 0.545 84.5 108.6-117.1 -15.1 38.1 44.1 53.4 22 24 A F < + 0 0 14 -4,-2.3 2,-0.3 -5,-0.3 -12,-0.1 -0.539 39.9 165.8 -69.3 133.8 37.7 42.6 56.9 23 25 A K - 0 0 132 -14,-0.3 -15,-2.3 -2,-0.3 2,-0.4 -0.978 32.5-132.5-150.5 133.0 34.5 43.5 58.5 24 26 A I B -A 7 0A 22 -2,-0.3 2,-0.8 -17,-0.2 -17,-0.3 -0.735 17.1-144.3 -82.8 134.8 32.6 42.2 61.6 25 27 A L - 0 0 72 -19,-3.1 -2,-0.0 -2,-0.4 -1,-0.0 -0.882 15.6-152.9-101.5 104.0 28.9 41.5 61.1 26 28 A V - 0 0 58 -2,-0.8 197,-0.0 1,-0.1 -20,-0.0 -0.682 14.0-128.1 -85.6 121.2 27.2 42.4 64.3 27 29 A P - 0 0 38 0, 0.0 3,-0.3 0, 0.0 172,-0.1 -0.190 23.7-109.7 -60.5 158.6 23.9 40.5 64.9 28 30 A E S S+ 0 0 205 1,-0.3 171,-0.4 170,-0.0 2,-0.4 0.888 110.9 14.2 -52.7 -45.2 20.7 42.4 65.8 29 31 A N S S+ 0 0 65 169,-0.1 2,-0.4 170,-0.1 -1,-0.3 -0.952 79.0 178.8-139.8 116.4 21.0 41.0 69.3 30 32 A F + 0 0 1 -2,-0.4 2,-0.4 -3,-0.3 192,-0.0 -0.975 12.3 169.9-124.6 129.8 24.2 39.3 70.5 31 33 A N > - 0 0 0 -2,-0.4 4,-3.4 1,-0.1 5,-0.3 -0.966 25.9-146.9-134.8 118.2 25.1 37.7 73.9 32 34 A F H >>S+ 0 0 1 -2,-0.4 4,-1.5 190,-0.3 5,-1.5 0.867 96.0 51.0 -53.7 -44.3 28.3 35.8 74.0 33 35 A A H 4>S+ 0 0 0 3,-0.2 5,-2.6 1,-0.2 -1,-0.2 0.923 121.3 32.5 -63.7 -44.6 27.1 33.2 76.5 34 36 A Y H 45S+ 0 0 21 3,-0.2 5,-0.3 -3,-0.2 -2,-0.2 0.890 124.4 42.1 -76.9 -42.4 23.9 32.4 74.6 35 37 A D H <5S+ 0 0 43 -4,-3.4 -3,-0.2 3,-0.2 -2,-0.2 0.488 131.3 17.9 -93.5 -5.9 25.1 32.9 71.0 36 38 A V T X5S+ 0 0 0 -4,-1.5 4,-2.3 -5,-0.3 5,-0.2 0.596 130.0 34.0-122.4 -62.9 28.5 31.2 71.3 37 39 A V H >> S+ 0 0 46 -5,-0.3 4,-3.1 -6,-0.2 3,-0.6 0.971 110.9 40.7 -61.5 -56.0 25.3 27.2 70.7 40 42 A Y H 3X S+ 0 0 8 -4,-2.3 4,-2.4 1,-0.2 7,-0.3 0.878 110.3 61.1 -58.4 -40.1 28.3 24.9 70.8 41 43 A A H 3< S+ 0 0 8 -4,-2.5 -1,-0.2 23,-0.3 -2,-0.2 0.839 116.1 31.4 -55.7 -36.2 26.7 23.2 73.9 42 44 A R H << S+ 0 0 176 -4,-1.4 -2,-0.2 -3,-0.6 -1,-0.2 0.917 128.5 34.9 -87.6 -51.4 23.7 22.2 71.7 43 45 A D H < S+ 0 0 134 -4,-3.1 -3,-0.2 1,-0.2 -2,-0.2 0.805 137.2 17.5 -77.4 -31.2 25.2 21.7 68.3 44 46 A S >< + 0 0 46 -4,-2.4 3,-2.0 -5,-0.4 20,-0.4 -0.496 69.6 168.6-140.0 66.5 28.6 20.3 69.3 45 47 A P T 3 S+ 0 0 46 0, 0.0 20,-1.6 0, 0.0 21,-0.3 0.788 77.0 48.7 -59.1 -33.1 28.2 19.1 73.0 46 48 A E T 3 S+ 0 0 134 17,-0.1 2,-0.2 18,-0.1 -5,-0.1 0.436 79.4 123.8 -89.9 -0.7 31.5 17.2 73.1 47 49 A K < - 0 0 24 -3,-2.0 17,-2.0 -7,-0.3 2,-0.2 -0.427 68.8-113.3 -62.9 129.6 33.6 20.0 71.6 48 50 A L E +B 63 0B 53 15,-0.2 15,-0.3 -2,-0.2 193,-0.1 -0.465 41.0 167.0 -68.6 128.1 36.5 20.9 73.9 49 51 A A E + 0 0 0 13,-2.9 221,-2.4 1,-0.3 2,-0.3 0.756 62.8 6.4-106.3 -39.9 36.4 24.4 75.4 50 52 A M E -Bc 62 270B 0 12,-2.0 12,-3.3 219,-0.3 2,-0.6 -0.990 44.1-157.2-154.3 133.4 39.0 24.3 78.1 51 53 A I E -Bc 61 271B 15 219,-2.3 221,-3.2 -2,-0.3 2,-0.4 -0.982 28.4-175.0-104.2 120.6 41.8 22.2 79.6 52 54 A W E +Bc 60 272B 11 8,-2.7 8,-3.0 -2,-0.6 2,-0.3 -0.941 7.3 165.2-116.7 140.6 42.3 23.4 83.2 53 55 A C E -Bc 59 273B 1 219,-1.8 221,-2.5 -2,-0.4 6,-0.2 -0.963 21.0-135.7-149.5 171.7 45.0 22.1 85.6 54 56 A D E - c 0 274B 17 4,-2.1 3,-0.5 -2,-0.3 221,-0.2 -0.676 26.8-125.1-115.9 166.4 46.9 22.7 88.8 55 57 A D S S+ 0 0 38 219,-0.7 220,-0.1 -2,-0.2 218,-0.0 0.353 112.5 62.0 -84.1 2.1 50.4 22.7 90.3 56 58 A Y S S- 0 0 148 2,-0.1 -1,-0.2 219,-0.0 219,-0.0 0.143 126.3 -90.3-120.8 15.9 48.9 20.3 92.8 57 59 A G S S+ 0 0 71 -3,-0.5 2,-0.2 1,-0.3 -2,-0.1 0.309 80.0 135.8 100.0 -6.9 47.8 17.5 90.5 58 60 A N + 0 0 91 2,-0.0 -4,-2.1 -5,-0.0 2,-0.4 -0.514 26.5 179.8 -83.2 141.6 44.3 18.6 89.6 59 61 A E E -B 53 0B 109 -6,-0.2 2,-0.4 -2,-0.2 -6,-0.2 -0.998 8.0-177.0-140.5 134.8 42.9 18.4 86.0 60 62 A K E -B 52 0B 83 -8,-3.0 -8,-2.7 -2,-0.4 2,-0.6 -0.974 9.9-159.7-135.5 122.6 39.5 19.4 84.6 61 63 A I E -B 51 0B 77 -2,-0.4 2,-0.5 -10,-0.2 -10,-0.2 -0.899 15.1-162.9-101.6 117.8 38.5 18.9 81.0 62 64 A F E -B 50 0B 5 -12,-3.3 -13,-2.9 -2,-0.6 -12,-2.0 -0.895 8.7-169.2-107.5 125.6 35.6 21.1 79.9 63 65 A T E > -B 48 0B 16 -2,-0.5 4,-1.9 -15,-0.3 -15,-0.2 -0.550 42.7-103.7 -90.8 170.8 33.4 20.7 76.9 64 66 A F H > S+ 0 0 0 -17,-2.0 4,-2.6 -20,-0.4 -23,-0.3 0.868 123.5 57.9 -64.4 -33.2 31.0 23.4 75.8 65 67 A K H > S+ 0 0 103 -20,-1.6 4,-2.7 -18,-0.2 -1,-0.2 0.938 105.4 49.7 -58.4 -50.3 28.1 21.2 77.2 66 68 A D H > S+ 0 0 51 -21,-0.3 4,-2.9 1,-0.2 5,-0.2 0.918 111.4 50.1 -50.8 -47.7 29.9 21.3 80.6 67 69 A L H X S+ 0 0 1 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.882 109.8 48.1 -65.7 -40.7 30.2 25.1 80.3 68 70 A K H X S+ 0 0 39 -4,-2.6 4,-2.4 -31,-0.2 5,-0.2 0.954 113.5 50.3 -58.3 -49.6 26.5 25.6 79.5 69 71 A Y H X S+ 0 0 98 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.944 116.2 38.5 -55.0 -56.1 25.6 23.3 82.4 70 72 A Y H X S+ 0 0 45 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.844 115.2 52.5 -69.6 -33.4 27.7 25.1 85.0 71 73 A S H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.829 109.5 50.2 -70.9 -32.1 27.0 28.7 83.7 72 74 A D H X S+ 0 0 7 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.905 112.8 46.8 -66.2 -44.2 23.3 27.9 83.9 73 75 A K H X S+ 0 0 5 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.867 112.6 50.4 -62.2 -38.4 23.8 26.7 87.4 74 76 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.914 106.7 53.9 -68.0 -41.9 25.9 29.9 88.1 75 77 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.946 111.3 46.0 -56.2 -48.9 23.2 32.1 86.7 76 78 A N H X S+ 0 0 37 -4,-2.1 4,-2.4 109,-0.3 -1,-0.2 0.843 108.9 55.4 -62.5 -36.0 20.7 30.5 89.1 77 79 A F H X S+ 0 0 0 -4,-1.9 4,-1.2 2,-0.2 -1,-0.2 0.935 109.9 46.6 -60.4 -46.2 23.2 30.9 92.0 78 80 A F H <>S+ 0 0 0 -4,-2.6 5,-2.6 1,-0.2 3,-0.3 0.904 110.9 51.8 -62.0 -43.4 23.4 34.6 91.2 79 81 A V H ><5S+ 0 0 70 -4,-2.4 3,-2.3 1,-0.2 -1,-0.2 0.917 103.1 58.8 -58.1 -46.9 19.6 35.0 91.0 80 82 A K H 3<5S+ 0 0 125 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.846 107.9 47.4 -50.7 -38.6 19.2 33.2 94.4 81 83 A H T 3<5S- 0 0 17 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.112 125.8 -99.3 -97.2 21.8 21.4 36.0 95.9 82 84 A G T < 5S+ 0 0 47 -3,-2.3 2,-0.4 1,-0.2 -3,-0.2 0.587 72.0 146.3 79.9 13.1 19.5 38.8 94.3 83 85 A I < + 0 0 4 -5,-2.6 -1,-0.2 -6,-0.1 2,-0.2 -0.717 18.5 148.2 -86.1 128.8 21.9 39.5 91.4 84 86 A G > - 0 0 24 -2,-0.4 3,-2.0 1,-0.1 28,-0.2 -0.672 48.5 -26.5-141.5-164.0 20.2 40.6 88.2 85 87 A K T 3 S+ 0 0 40 1,-0.3 26,-0.3 -2,-0.2 25,-0.2 -0.257 124.8 10.2 -59.2 128.7 20.6 42.8 85.1 86 88 A G T 3 S+ 0 0 35 24,-2.6 2,-0.4 1,-0.3 -1,-0.3 0.386 89.6 135.3 86.9 -4.4 23.0 45.7 85.5 87 89 A D < - 0 0 21 -3,-2.0 25,-3.4 47,-0.0 2,-0.4 -0.651 53.2-130.6 -78.5 130.9 24.3 44.6 88.9 88 90 A Y E -h 112 0C 16 45,-0.5 47,-2.9 -2,-0.4 48,-0.9 -0.713 25.8-176.1 -84.2 131.4 28.1 44.8 89.3 89 91 A V E -hi 113 136C 0 23,-2.9 25,-2.6 -2,-0.4 2,-0.4 -0.992 16.4-142.4-131.6 118.0 29.8 41.7 90.6 90 92 A M E -hi 114 137C 1 46,-2.4 48,-3.0 -2,-0.4 2,-0.6 -0.703 11.0-159.1 -85.5 132.0 33.6 41.6 91.3 91 93 A L E +hi 115 138C 0 23,-2.1 25,-2.6 -2,-0.4 2,-0.5 -0.943 17.0 172.4-114.2 114.5 35.4 38.4 90.5 92 94 A T E + i 0 139C 5 46,-3.0 48,-2.0 -2,-0.6 25,-0.1 -0.700 30.2 134.0-119.9 79.9 38.7 37.9 92.2 93 95 A L > - 0 0 0 -2,-0.5 3,-2.7 1,-0.3 6,-0.3 0.233 44.9-151.9-124.3 14.1 39.5 34.3 91.1 94 96 A K T 3 S- 0 0 13 22,-0.4 156,-1.0 1,-0.3 -1,-0.3 -0.255 75.4 -36.3 49.5-126.2 43.1 34.0 89.9 95 97 A S T 3 S+ 0 0 13 154,-0.1 -1,-0.3 180,-0.1 179,-0.2 0.026 92.8 142.4-115.7 30.3 42.9 31.1 87.4 96 98 A R X - 0 0 24 -3,-2.7 3,-1.9 1,-0.1 4,-0.4 -0.447 61.9-124.1 -61.1 138.4 40.3 29.0 89.1 97 99 A Y T >> S+ 0 0 25 1,-0.3 4,-1.2 2,-0.2 3,-0.8 0.717 106.6 78.8 -59.0 -18.6 38.0 27.4 86.5 98 100 A D H 3> S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.754 78.5 68.7 -60.0 -29.7 35.2 29.1 88.6 99 101 A F H <> S+ 0 0 0 -3,-1.9 4,-2.8 -6,-0.3 -1,-0.2 0.923 99.8 48.5 -52.1 -46.3 36.1 32.4 86.9 100 102 A W H <> S+ 0 0 0 -3,-0.8 4,-2.1 -4,-0.4 5,-0.2 0.912 110.6 49.5 -65.4 -45.6 34.7 31.0 83.6 101 103 A Y H X S+ 0 0 6 -4,-1.2 4,-2.4 2,-0.2 -1,-0.2 0.897 115.0 45.2 -50.7 -51.0 31.4 29.8 85.2 102 104 A C H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 5,-0.3 0.935 110.3 51.9 -66.0 -51.5 30.9 33.1 86.8 103 105 A M H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.943 116.2 41.3 -49.1 -53.2 31.7 35.2 83.7 104 106 A L H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.879 113.4 52.9 -67.4 -40.2 29.2 33.2 81.6 105 107 A G H X S+ 0 0 0 -4,-2.4 4,-1.4 -5,-0.2 -1,-0.2 0.921 110.8 47.4 -59.9 -45.7 26.6 33.1 84.3 106 108 A L H X>S+ 0 0 0 -4,-3.0 5,-2.1 1,-0.2 4,-1.0 0.879 109.1 53.9 -64.0 -40.0 26.7 36.9 84.7 107 109 A H H <5S+ 0 0 1 -4,-2.2 3,-0.4 -5,-0.3 -1,-0.2 0.885 105.8 54.2 -58.7 -40.0 26.5 37.4 80.9 108 110 A K H <5S+ 0 0 1 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.848 112.7 42.8 -65.2 -34.4 23.4 35.2 80.9 109 111 A L H <5S- 0 0 11 -4,-1.4 -1,-0.2 -5,-0.1 -2,-0.2 0.623 110.0-119.9 -81.4 -16.4 21.8 37.5 83.5 110 112 A G T <5 + 0 0 3 -4,-1.0 -24,-2.6 -3,-0.4 -3,-0.2 0.681 67.0 144.6 72.4 18.3 22.9 40.7 81.9 111 113 A A < - 0 0 0 -5,-2.1 2,-0.6 -26,-0.3 -1,-0.2 -0.345 54.6-106.2 -76.0 170.1 24.8 41.4 85.1 112 114 A I E -h 88 0C 9 -25,-3.4 -23,-2.9 -28,-0.2 2,-0.4 -0.899 24.9-149.8-111.4 117.7 28.1 43.2 85.0 113 115 A A E -hj 89 204C 0 90,-1.9 92,-2.7 -2,-0.6 -23,-0.2 -0.699 10.5-172.8 -84.5 131.7 31.4 41.2 85.6 114 116 A V E -h 90 0C 0 -25,-2.6 -23,-2.1 -2,-0.4 92,-0.1 -0.824 10.6-159.0-124.1 87.9 34.3 43.1 87.2 115 117 A P E -h 91 0C 3 0, 0.0 92,-0.4 0, 0.0 2,-0.3 -0.417 16.7-177.9 -66.3 145.6 37.4 40.9 87.2 116 118 A A - 0 0 6 -25,-2.6 -22,-0.4 90,-0.1 -23,-0.2 -0.992 28.8-100.1-146.6 150.4 40.0 42.0 89.7 117 119 A T > - 0 0 6 134,-0.4 3,-1.4 -2,-0.3 402,-0.0 -0.399 22.7-131.1 -69.9 144.1 43.5 41.0 90.8 118 120 A H T 3 S+ 0 0 48 1,-0.3 -1,-0.1 -2,-0.1 -26,-0.1 0.639 102.6 75.8 -64.8 -13.3 43.9 38.9 94.0 119 121 A M T 3 + 0 0 37 400,-0.1 -1,-0.3 2,-0.0 402,-0.1 0.522 65.4 122.8 -79.4 -7.0 46.6 41.5 94.9 120 122 A L < - 0 0 9 -3,-1.4 2,-0.2 399,-0.1 28,-0.1 -0.287 49.8-148.7 -59.5 138.0 44.0 44.2 95.9 121 123 A K >> - 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0 0 0 -2,-0.3 3,-1.8 1,-0.2 -399,-0.1 -0.156 57.0-130.6 -44.1 124.4 48.5 46.3 95.5 520 524 A P G > S+ 0 0 37 0, 0.0 3,-1.5 0, 0.0 -1,-0.2 0.578 97.6 76.9 -66.2 -13.4 52.2 45.7 96.1 521 525 A Y G 3 S+ 0 0 27 1,-0.3 -65,-0.1 -6,-0.1 -2,-0.1 0.717 89.2 64.7 -66.1 -17.1 53.3 45.8 92.4 522 526 A K G < S+ 0 0 1 -3,-1.8 -1,-0.3 -8,-0.1 -3,-0.1 0.377 72.1 128.5 -83.4 -3.7 52.9 49.6 92.8 523 527 A Y < - 0 0 55 -3,-1.5 2,-0.5 1,-0.1 -33,-0.4 -0.263 68.5-107.7 -60.5 142.8 55.7 50.0 95.4 524 528 A P - 0 0 0 0, 0.0 -33,-0.2 0, 0.0 -1,-0.1 -0.626 27.9-169.4 -74.7 119.7 58.3 52.7 94.6 525 529 A R S S+ 0 0 91 -35,-1.5 2,-0.4 -2,-0.5 -34,-0.2 0.742 77.8 43.4 -81.9 -25.9 61.6 51.0 93.6 526 530 A I E -z 491 0F 71 -36,-1.8 -34,-2.4 2,-0.0 2,-0.4 -0.968 68.6-174.0-114.3 136.5 63.5 54.3 93.8 527 531 A I E -z 492 0F 6 -2,-0.4 2,-0.5 -36,-0.2 -34,-0.2 -0.985 1.1-172.3-129.2 122.7 63.0 56.8 96.6 528 532 A E E -z 493 0F 86 -36,-2.6 -34,-2.8 -2,-0.4 2,-0.5 -0.967 13.3-147.9-114.7 123.5 64.7 60.2 96.5 529 533 A F E +z 494 0F 40 -2,-0.5 -34,-0.2 -36,-0.2 -36,-0.1 -0.809 26.8 173.8 -90.5 125.2 64.6 62.5 99.5 530 534 A V E -z 495 0F 44 -36,-2.4 -34,-0.5 -2,-0.5 -2,-0.0 -0.867 42.9-132.1-128.3 161.4 64.6 66.2 98.6 531 535 A P 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -36,-0.1 0.717 360.0 360.0 -77.1 -28.2 64.2 69.6 100.3 532 536 A E 0 0 118 -38,-0.1 -37,-0.1 -3,-0.0 -2,-0.0 0.361 360.0 360.0-154.3 360.0 61.6 70.7 97.6 533 !* 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 0.0 534 3 B S 0 0 66 0, 0.0 3,-0.2 0, 0.0 265,-0.2 0.000 360.0 360.0 360.0 163.7 0.4 63.1 113.9 535 4 B L > + 0 0 15 263,-1.0 3,-1.7 262,-0.4 4,-0.5 0.463 360.0 105.1 -92.5 -5.1 3.2 60.5 114.1 536 5 B L G > S+ 0 0 6 262,-1.2 3,-2.2 1,-0.3 4,-0.3 0.841 71.0 58.1 -45.7 -51.0 5.8 63.1 115.4 537 6 B S G > S+ 0 0 76 1,-0.3 3,-0.6 -3,-0.2 -1,-0.3 0.724 97.9 63.4 -59.3 -24.0 5.8 61.9 119.0 538 7 B Q G < S+ 0 0 133 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.727 107.2 41.7 -69.0 -23.1 6.9 58.4 117.9 539 8 B F G < S+ 0 0 12 -3,-2.2 19,-2.8 -4,-0.5 2,-0.3 0.282 107.1 65.0-111.5 7.4 10.2 59.7 116.5 540 9 B V B < S-A 557 0G 8 -3,-0.6 17,-0.2 -4,-0.3 3,-0.2 -0.944 72.3-129.1-136.0 153.0 11.4 62.2 119.1 541 10 B S S S- 0 0 56 15,-2.0 2,-0.3 -2,-0.3 14,-0.1 0.794 100.1 -8.4 -63.7 -32.0 12.5 62.2 122.8 542 11 B K - 0 0 95 14,-0.3 -1,-0.3 1,-0.1 14,-0.2 -0.917 61.6-143.3-169.6 141.0 10.0 65.0 123.5 543 12 B T S S+ 0 0 45 -2,-0.3 2,-0.3 -3,-0.2 -1,-0.1 0.885 78.4 38.2 -85.4 -43.2 7.8 67.1 121.2 544 13 B D - 0 0 100 2,-0.0 2,-0.3 11,-0.0 -1,-0.1 -0.860 61.5-169.6-120.1 149.8 7.7 70.6 122.7 545 14 B F - 0 0 18 -2,-0.3 3,-0.1 -3,-0.0 4,-0.0 -0.874 24.9-137.2-135.3 162.8 10.3 72.7 124.5 546 15 B E S S- 0 0 86 -2,-0.3 2,-0.3 1,-0.2 3,-0.1 0.505 82.3 -3.6-102.7 -6.7 10.4 75.9 126.5 547 16 B S S > S- 0 0 34 1,-0.1 4,-2.4 349,-0.0 -1,-0.2 -0.963 75.2 -94.7-171.1 165.8 13.6 77.5 124.9 548 17 B Y H > S+ 0 0 22 -2,-0.3 4,-2.9 2,-0.2 5,-0.2 0.881 124.9 53.0 -57.1 -40.3 16.4 77.0 122.5 549 18 B E H > S+ 0 0 117 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.902 109.7 47.0 -65.4 -41.9 18.6 75.8 125.4 550 19 B D H > S+ 0 0 33 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.910 112.5 51.0 -60.7 -46.0 15.9 73.2 126.4 551 20 B F H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.928 112.7 46.1 -58.1 -49.4 15.6 72.2 122.7 552 21 B Q H < S+ 0 0 71 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.894 117.5 42.7 -61.5 -43.2 19.4 71.7 122.5 553 22 B E H < S+ 0 0 79 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.846 127.0 26.4 -72.2 -34.8 19.7 69.8 125.8 554 23 B N H < S+ 0 0 83 -4,-2.5 2,-0.4 -5,-0.2 -3,-0.2 0.536 88.1 104.0-116.8 -10.3 16.7 67.5 125.4 555 24 B F < + 0 0 17 -4,-2.0 2,-0.3 -5,-0.2 -12,-0.1 -0.665 36.0 160.1 -83.6 130.3 15.8 66.9 121.7 556 25 B K - 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