==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 04-OCT-07 2RGO . COMPND 2 MOLECULE: ALPHA-GLYCEROPHOSPHATE OXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS SP.; . AUTHOR T.COLUSSI,W.BOLES,T.C.MALLETT,P.A.KARPLUS,A.CLAIBORNE . 1087 11 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 46462.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 723 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 139 12.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 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 . 2 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 . 49 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 120 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 315 29.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 1.9 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 5 2 2 3 1 1 1 2 2 4 5 1 2 2 1 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 3 0 3 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 PARALLEL BRIDGES PER LADDER . 3 6 2 4 5 4 3 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 4 0 0 1 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 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 M 0 0 125 0, 0.0 2,-0.3 0, 0.0 491,-0.2 0.000 360.0 360.0 360.0 150.0 -4.0 -43.7 -5.3 2 2 A F + 0 0 15 489,-3.0 492,-1.9 4,-0.1 2,-0.2 -0.807 360.0 105.4-133.9 89.2 -3.8 -42.3 -8.9 3 3 A S S > S- 0 0 0 -2,-0.3 4,-3.1 490,-0.2 488,-0.1 -0.714 86.3 -62.5-147.6-165.2 -0.1 -42.5 -10.0 4 4 A N H > S+ 0 0 31 486,-0.4 4,-2.3 491,-0.2 5,-0.1 0.792 131.0 53.2 -64.1 -25.5 2.5 -44.2 -12.1 5 5 A K H > S+ 0 0 125 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.937 109.9 44.8 -74.1 -46.2 1.8 -47.4 -10.0 6 6 A T H > S+ 0 0 36 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.918 111.5 57.3 -60.7 -43.7 -2.0 -47.2 -10.8 7 7 A R H X S+ 0 0 10 -4,-3.1 4,-2.0 1,-0.2 3,-0.4 0.966 104.7 49.4 -51.1 -56.8 -0.9 -46.5 -14.4 8 8 A Q H X S+ 0 0 64 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.834 110.6 49.7 -56.5 -35.4 1.1 -49.7 -14.6 9 9 A D H X S+ 0 0 90 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.856 108.3 53.7 -71.7 -34.7 -1.8 -51.9 -13.2 10 10 A S H X S+ 0 0 11 -4,-2.4 4,-2.2 -3,-0.4 -2,-0.2 0.879 104.2 56.1 -63.4 -38.4 -4.2 -50.3 -15.7 11 11 A I H < S+ 0 0 0 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.786 108.7 47.1 -64.0 -29.6 -1.9 -51.2 -18.6 12 12 A Q H >X S+ 0 0 84 -4,-1.0 3,-1.6 -3,-0.2 4,-0.9 0.910 110.9 50.3 -79.5 -43.1 -2.0 -54.9 -17.5 13 13 A K H >X S+ 0 0 69 -4,-2.0 4,-1.4 1,-0.3 3,-0.8 0.886 101.7 61.0 -60.7 -40.8 -5.8 -55.0 -17.1 14 14 A M H 3< S+ 0 0 3 -4,-2.2 210,-0.5 1,-0.3 -1,-0.3 0.568 110.9 43.6 -63.3 -6.1 -6.4 -53.5 -20.5 15 15 A Q H <4 S+ 0 0 83 -3,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.567 106.5 60.1-111.6 -17.6 -4.5 -56.6 -21.8 16 16 A Q H << S+ 0 0 125 -4,-0.9 2,-0.4 -3,-0.8 -2,-0.2 0.965 113.3 10.9 -77.5 -58.6 -6.2 -59.2 -19.6 17 17 A E S < S- 0 0 81 -4,-1.4 -1,-0.2 207,-0.0 207,-0.0 -0.967 84.0 -93.5-131.4 148.2 -9.9 -58.9 -20.7 18 18 A E - 0 0 81 -2,-0.4 207,-0.2 -3,-0.1 2,-0.2 -0.125 37.9-136.6 -51.3 138.0 -11.9 -57.1 -23.4 19 19 A L E -a 225 0A 0 205,-3.2 207,-2.8 -5,-0.1 208,-0.2 -0.626 8.7-143.1 -96.7 156.9 -13.3 -53.7 -22.7 20 20 A D E S+ 0 0 26 23,-0.9 207,-0.7 1,-0.3 2,-0.4 0.819 90.6 20.4 -86.0 -31.3 -16.8 -52.4 -23.6 21 21 A L E -ab 227 44A 0 22,-1.7 24,-3.3 205,-0.2 2,-0.5 -0.962 60.5-173.2-144.4 123.1 -15.4 -48.9 -24.4 22 22 A L E -ab 228 45A 0 205,-2.2 207,-2.5 -2,-0.4 2,-0.4 -0.965 14.4-156.8-114.8 128.7 -11.9 -47.6 -25.3 23 23 A I E -ab 229 46A 0 22,-3.0 24,-2.5 -2,-0.5 2,-0.6 -0.846 3.7-154.1-107.0 138.7 -11.4 -43.8 -25.5 24 24 A I E +ab 230 47A 11 205,-2.0 207,-2.3 -2,-0.4 24,-0.2 -0.923 65.8 37.9-116.2 105.1 -8.6 -42.1 -27.6 25 25 A G - 0 0 9 22,-2.5 23,-0.2 -2,-0.6 2,-0.2 0.167 57.5-148.4 122.4 118.2 -7.7 -38.6 -26.3 26 26 A G + 0 0 0 25,-0.1 27,-1.9 4,-0.1 28,-0.2 -0.373 60.0 105.6-113.0 52.4 -7.4 -37.3 -22.7 27 27 A G S > S- 0 0 18 204,-0.4 4,-2.5 25,-0.2 5,-0.3 -0.269 95.8 -65.5-104.1-159.7 -8.3 -33.6 -23.1 28 28 A I H > S+ 0 0 6 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.855 132.4 54.6 -63.0 -34.6 -11.7 -32.2 -21.9 29 29 A T H > S+ 0 0 29 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.885 115.1 36.9 -68.5 -39.5 -13.7 -34.1 -24.5 30 30 A G H > S+ 0 0 0 201,-0.3 4,-3.0 -3,-0.2 5,-0.2 0.866 114.5 54.9 -79.8 -38.2 -12.4 -37.5 -23.5 31 31 A A H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.912 109.9 50.1 -59.2 -39.5 -12.3 -36.7 -19.8 32 32 A G H X S+ 0 0 1 -4,-2.0 4,-1.6 -5,-0.3 -2,-0.2 0.933 112.3 44.4 -62.5 -50.1 -15.9 -35.8 -20.2 33 33 A V H X S+ 0 0 0 -4,-1.6 4,-1.8 1,-0.2 5,-0.2 0.888 110.9 55.7 -60.9 -43.3 -16.9 -39.0 -21.9 34 34 A A H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 5,-0.2 0.909 105.2 51.2 -58.9 -44.9 -14.9 -41.1 -19.5 35 35 A V H X S+ 0 0 8 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.899 112.5 45.0 -61.3 -42.6 -16.7 -39.7 -16.4 36 36 A Q H < S+ 0 0 9 -4,-1.6 4,-0.4 2,-0.2 -1,-0.2 0.766 114.0 48.2 -76.8 -24.3 -20.2 -40.4 -17.7 37 37 A A H ><>S+ 0 0 0 -4,-1.8 5,-1.7 2,-0.2 3,-0.8 0.930 112.4 48.6 -77.5 -47.5 -19.4 -44.0 -19.0 38 38 A A H ><5S+ 0 0 12 -4,-2.4 3,-1.9 1,-0.3 -2,-0.2 0.947 109.4 51.8 -56.0 -52.9 -17.7 -45.0 -15.8 39 39 A A T 3<5S+ 0 0 13 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.689 107.6 56.3 -59.8 -18.3 -20.6 -43.7 -13.6 40 40 A S T < 5S- 0 0 2 -3,-0.8 371,-1.4 -4,-0.4 -1,-0.3 0.436 119.4-103.2 -95.3 -2.7 -23.0 -45.7 -15.8 41 41 A G T < 5S+ 0 0 67 -3,-1.9 2,-0.5 -4,-0.4 -3,-0.2 0.415 72.3 141.0 98.2 -4.6 -21.5 -49.1 -15.3 42 42 A I < - 0 0 6 -5,-1.7 -1,-0.3 369,-0.1 2,-0.3 -0.638 58.4-120.6 -77.2 118.0 -19.7 -49.4 -18.7 43 43 A K - 0 0 79 -2,-0.5 -22,-1.7 146,-0.1 -23,-0.9 -0.418 46.6-165.0 -60.0 122.1 -16.2 -51.0 -18.4 44 44 A T E -b 21 0A 5 -2,-0.3 146,-2.6 -24,-0.2 2,-0.3 -0.921 26.5-176.1-130.3 136.5 -14.0 -48.2 -19.7 45 45 A G E -bc 22 190A 0 -24,-3.3 -22,-3.0 -2,-0.4 2,-0.3 -0.908 5.4-173.2-122.6 151.2 -10.5 -47.5 -21.0 46 46 A L E -bc 23 191A 0 144,-2.1 146,-3.0 -2,-0.3 2,-0.4 -0.968 3.4-166.8-145.5 130.1 -8.8 -44.3 -22.1 47 47 A I E -bc 24 192A 3 -24,-2.5 -22,-2.5 -2,-0.3 2,-0.4 -0.943 2.2-171.7-118.5 138.5 -5.4 -43.7 -23.7 48 48 A E E - c 0 193A 22 144,-2.3 147,-2.1 -2,-0.4 146,-0.7 -0.984 17.4-150.3-133.9 121.5 -3.6 -40.3 -24.0 49 49 A M S S+ 0 0 44 -2,-0.4 147,-0.2 145,-0.3 -1,-0.1 0.759 85.7 15.7 -56.5 -39.0 -0.3 -39.7 -26.1 50 50 A Q S S- 0 0 19 1,-0.3 144,-2.4 145,-0.1 145,-0.2 -0.033 114.4 -50.2-112.7-143.6 1.0 -36.9 -23.9 51 51 A D S > S- 0 0 0 142,-0.2 3,-1.8 1,-0.1 -1,-0.3 -0.562 75.1 -79.7 -89.1 162.8 -0.0 -35.7 -20.4 52 52 A F T 3 S+ 0 0 1 1,-0.3 -25,-0.2 -2,-0.2 -1,-0.1 -0.416 119.5 8.7 -63.4 139.3 -3.7 -35.1 -19.6 53 53 A A T 3 S+ 0 0 2 -27,-1.9 -1,-0.3 1,-0.1 5,-0.2 0.470 89.2 125.8 68.2 2.7 -4.7 -31.7 -21.0 54 54 A E < + 0 0 11 -3,-1.8 -2,-0.1 -28,-0.2 -1,-0.1 0.713 63.9 63.9 -67.5 -17.5 -1.4 -31.2 -22.8 55 55 A G S > S- 0 0 15 -4,-0.3 3,-1.1 -29,-0.1 178,-0.1 0.397 124.0 -46.8 -76.9-143.6 -3.2 -30.6 -26.1 56 56 A T G > S+ 0 0 35 1,-0.2 3,-2.1 2,-0.1 4,-0.1 0.724 119.4 81.5 -72.4 -16.4 -5.6 -27.6 -26.8 57 57 A S G 3 S+ 0 0 19 1,-0.3 -1,-0.2 2,-0.1 120,-0.2 0.458 98.0 43.3 -65.8 -1.8 -7.5 -27.9 -23.4 58 58 A S G < S+ 0 0 13 -3,-1.1 -1,-0.3 -5,-0.2 -2,-0.1 0.162 108.2 60.9-124.0 14.7 -4.7 -26.0 -21.7 59 59 A R S < S+ 0 0 48 -3,-2.1 -2,-0.1 286,-0.1 285,-0.1 0.106 77.6 104.0-131.6 24.4 -4.2 -23.4 -24.3 60 60 A S S S- 0 0 35 283,-0.1 -3,-0.0 -4,-0.1 282,-0.0 0.009 90.2 -79.4 -91.7-158.6 -7.6 -21.6 -24.6 61 61 A T - 0 0 43 2,-0.2 3,-0.1 112,-0.0 110,-0.1 0.606 51.5-132.6 -82.3 -11.5 -8.6 -18.1 -23.2 62 62 A K S S+ 0 0 13 1,-0.3 109,-1.8 108,-0.1 2,-0.3 0.859 72.0 101.4 60.9 41.0 -9.1 -19.4 -19.7 63 63 A L E S-F 170 0B 9 107,-0.3 2,-0.5 34,-0.0 -1,-0.3 -0.910 70.1-135.7-142.9 157.9 -12.5 -17.7 -19.4 64 64 A V E -F 169 0B 11 105,-2.9 105,-1.5 -2,-0.3 2,-0.2 -0.911 35.3-164.1-119.0 95.0 -16.1 -18.7 -19.7 65 65 A H - 0 0 9 -2,-0.5 103,-0.1 103,-0.2 21,-0.0 -0.579 17.9-145.7 -85.1 142.3 -17.5 -16.0 -21.9 66 66 A G - 0 0 0 -2,-0.2 17,-0.2 101,-0.2 16,-0.1 0.772 28.4-127.7 -79.3 -30.3 -21.2 -15.3 -22.2 67 67 A G > + 0 0 5 15,-0.1 3,-1.7 291,-0.1 4,-0.2 0.835 45.8 159.2 86.5 31.4 -21.5 -14.2 -25.8 68 68 A I G > + 0 0 5 1,-0.3 3,-1.5 2,-0.2 4,-0.3 0.679 67.3 73.6 -58.6 -20.4 -23.4 -10.9 -25.3 69 69 A R G > S+ 0 0 43 289,-0.3 3,-1.9 1,-0.3 -1,-0.3 0.845 81.0 71.1 -64.8 -32.9 -22.1 -9.8 -28.7 70 70 A Y G X >S+ 0 0 21 -3,-1.7 5,-2.3 1,-0.3 3,-0.8 0.608 81.9 72.0 -58.5 -16.1 -24.6 -12.2 -30.3 71 71 A L G X 5S+ 0 0 17 -3,-1.5 3,-1.8 1,-0.2 -1,-0.3 0.740 79.9 75.8 -73.1 -19.5 -27.5 -9.9 -29.3 72 72 A K G < 5S+ 0 0 124 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.759 106.1 32.5 -62.9 -24.9 -26.3 -7.5 -32.0 73 73 A T G < 5S- 0 0 99 -3,-0.8 -1,-0.3 -4,-0.2 -2,-0.2 -0.027 118.7-111.9-118.7 28.8 -27.8 -9.7 -34.6 74 74 A F T < 5 + 0 0 141 -3,-1.8 2,-1.9 1,-0.2 3,-0.2 0.720 61.1 156.2 44.7 36.1 -30.6 -10.9 -32.2 75 75 A D >< + 0 0 70 -5,-2.3 4,-1.0 1,-0.2 -1,-0.2 -0.525 9.1 156.2 -84.6 73.5 -29.3 -14.4 -32.0 76 76 A V H > + 0 0 43 -2,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.769 60.5 61.2 -74.6 -28.6 -31.0 -15.0 -28.6 77 77 A E H > S+ 0 0 149 -3,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.894 103.5 52.2 -66.3 -37.7 -31.2 -18.8 -28.7 78 78 A V H > S+ 0 0 26 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.900 111.6 46.7 -62.3 -42.6 -27.4 -19.0 -28.9 79 79 A V H X S+ 0 0 1 -4,-1.0 4,-2.4 2,-0.2 5,-0.4 0.911 110.9 51.5 -67.9 -40.0 -27.1 -16.7 -25.8 80 80 A A H X S+ 0 0 36 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.897 110.4 50.0 -62.7 -41.4 -29.7 -18.7 -23.9 81 81 A D H X S+ 0 0 79 -4,-2.2 4,-1.6 -5,-0.2 -1,-0.2 0.880 112.7 46.9 -63.3 -40.6 -27.9 -21.9 -24.6 82 82 A T H X S+ 0 0 23 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.921 113.6 42.6 -71.8 -50.8 -24.6 -20.6 -23.5 83 83 A V H X S+ 0 0 6 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.860 114.2 56.7 -65.4 -32.5 -25.5 -18.9 -20.1 84 84 A G H X S+ 0 0 37 -4,-1.6 4,-1.3 -5,-0.4 -2,-0.2 0.906 109.9 40.6 -65.5 -41.7 -27.6 -22.0 -19.4 85 85 A E H X S+ 0 0 12 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.787 109.2 60.6 -78.8 -25.7 -24.8 -24.5 -19.8 86 86 A R H X S+ 0 0 18 -4,-1.7 4,-2.5 2,-0.2 5,-0.2 0.939 104.7 48.9 -63.4 -44.6 -22.4 -22.3 -18.0 87 87 A A H X S+ 0 0 66 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.892 110.7 52.4 -60.0 -40.5 -24.7 -22.4 -14.9 88 88 A V H X S+ 0 0 31 -4,-1.3 4,-0.9 2,-0.2 -1,-0.2 0.893 109.4 47.4 -63.9 -40.4 -24.8 -26.2 -15.2 89 89 A V H >X S+ 0 0 14 -4,-2.3 4,-1.2 1,-0.2 3,-0.7 0.907 108.4 54.8 -69.6 -41.7 -20.9 -26.5 -15.3 90 90 A Q H 3< S+ 0 0 46 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.867 104.5 57.3 -56.7 -35.3 -20.6 -24.2 -12.2 91 91 A G H 3< S+ 0 0 21 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.820 111.7 39.1 -67.8 -30.2 -22.9 -26.6 -10.4 92 92 A I H << S+ 0 0 4 -4,-0.9 328,-2.0 -3,-0.7 -1,-0.2 0.567 130.2 28.4 -97.4 -5.6 -20.7 -29.6 -11.0 93 93 A A >< + 0 0 0 -4,-1.2 3,-2.3 -3,-0.2 -1,-0.2 -0.342 64.0 160.1-150.2 57.6 -17.4 -27.8 -10.5 94 94 A P T 3 S+ 0 0 1 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 0.638 74.8 61.9 -59.5 -12.2 -18.0 -24.9 -8.1 95 95 A H T 3 S+ 0 0 1 363,-0.1 3,-0.1 -3,-0.1 364,-0.1 0.484 107.0 40.1 -93.8 -1.7 -14.2 -24.9 -7.3 96 96 A I S < S+ 0 0 10 -3,-2.3 2,-0.4 1,-0.3 74,-0.1 0.717 103.5 49.5-111.9 -82.7 -13.0 -24.1 -10.9 97 97 A P S S- 0 0 4 0, 0.0 -1,-0.3 0, 0.0 74,-0.2 -0.459 73.7-177.2 -63.1 120.3 -15.1 -21.5 -12.9 98 98 A K E -G 170 0B 14 72,-1.7 72,-1.8 -2,-0.4 2,-0.2 -0.787 30.4 -94.9-115.8 159.5 -15.6 -18.4 -10.6 99 99 A P E +G 169 0B 44 0, 0.0 70,-0.3 0, 0.0 68,-0.0 -0.476 44.2 161.2 -73.2 140.8 -17.5 -15.1 -11.1 100 100 A D - 0 0 34 68,-3.4 66,-0.1 -2,-0.2 -2,-0.0 -0.500 34.8-132.6-161.9 80.3 -15.4 -12.1 -12.4 101 101 A P - 0 0 31 0, 0.0 2,-0.3 0, 0.0 66,-0.2 0.018 21.1-127.4 -40.7 135.5 -17.6 -9.3 -13.9 102 102 A M E -H 166 0C 0 64,-2.9 64,-1.6 169,-0.1 2,-0.5 -0.642 8.8-143.6 -92.8 141.1 -16.5 -7.9 -17.2 103 103 A L E -Hi 165 273C 0 169,-2.5 171,-2.1 -2,-0.3 62,-0.2 -0.921 15.1-174.1-103.6 121.9 -15.9 -4.2 -18.0 104 104 A L E -H 164 0C 8 60,-3.1 60,-1.4 -2,-0.5 171,-0.1 -0.817 12.5-154.1-119.0 91.7 -16.9 -3.0 -21.6 105 105 A P E -H 163 0C 12 0, 0.0 2,-0.4 0, 0.0 58,-0.3 -0.285 9.8-135.7 -66.3 147.8 -15.9 0.7 -22.3 106 106 A I E -H 162 0C 6 56,-2.7 55,-3.0 169,-0.1 56,-0.5 -0.908 22.5-176.3-110.9 131.1 -17.8 2.7 -24.9 107 107 A Y E -H 160 0C 15 -2,-0.4 53,-0.2 53,-0.2 52,-0.1 -0.943 23.7-171.2-129.7 149.4 -16.2 4.9 -27.5 108 108 A E S S+ 0 0 125 51,-0.9 3,-0.3 -2,-0.3 4,-0.1 0.578 84.3 60.9-111.3 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50.0 -76.8 -65.5 154.9 11.4 -32.1 0.4 476 522 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.2 0, 0.0 50,-0.1 -0.318 116.6 7.5 -60.0 121.9 14.8 -30.4 0.2 477 523 A G T 3 S+ 0 0 55 1,-0.2 2,-0.4 -2,-0.2 46,-0.1 0.351 107.6 105.9 91.9 -6.8 14.6 -26.8 -0.8 478 524 A L < - 0 0 12 -3,-1.9 -1,-0.2 44,-0.1 41,-0.0 -0.852 68.8-114.8-115.3 146.4 10.8 -26.5 -0.7 479 525 A S > - 0 0 66 -2,-0.4 4,-2.7 1,-0.1 -4,-0.3 -0.179 35.1-108.3 -64.4 162.4 8.3 -25.0 1.7 480 526 A L H > S+ 0 0 52 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.915 121.0 48.0 -58.1 -43.3 5.9 -27.2 3.7 481 527 A A H > S+ 0 0 8 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.918 113.0 44.9 -63.2 -49.4 3.0 -25.9 1.5 482 528 A E H > S+ 0 0 28 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.907 112.9 52.5 -61.7 -46.1 4.8 -26.4 -1.9 483 529 A S H X S+ 0 0 6 -4,-2.7 4,-2.3 1,-0.2 5,-0.2 0.886 107.6 50.3 -60.0 -44.1 6.0 -29.8 -0.9 484 530 A A H X S+ 0 0 6 -4,-2.0 4,-1.8 -5,-0.2 -1,-0.2 0.867 110.0 50.8 -65.4 -35.5 2.6 -31.1 0.1 485 531 A R H X S+ 0 0 14 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.922 111.9 47.5 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65.3 138.3-134.5 34.4 4.5 -16.7 -11.5 513 559 A R G > + 0 0 36 -4,-0.4 3,-1.1 1,-0.3 4,-0.5 0.767 67.0 66.8 -50.6 -35.1 7.5 -16.8 -13.8 514 560 A D G 3 S+ 0 0 108 1,-0.2 -1,-0.3 2,-0.1 -5,-0.1 0.586 109.0 37.4 -66.0 -10.1 9.3 -14.3 -11.6 515 561 A Q G <> S+ 0 0 110 -3,-2.6 4,-0.8 -7,-0.2 -1,-0.2 0.287 88.7 96.4-122.2 6.8 9.5 -16.9 -8.8 516 562 A L H <> S+ 0 0 3 -3,-1.1 4,-1.9 -4,-0.3 3,-0.3 0.846 75.4 60.5 -68.6 -34.6 10.2 -20.0 -10.8 517 563 A D H > S+ 0 0 105 -4,-0.5 4,-0.6 1,-0.2 -1,-0.2 0.882 96.5 60.8 -62.4 -36.2 14.0 -20.1 -10.5 518 564 A E H 4 S+ 0 0 146 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.2 0.911 120.1 25.4 -57.5 -41.2 13.9 -20.4 -6.7 519 565 A I H X S+ 0 0 19 -4,-0.8 4,-1.8 -3,-0.3 -1,-0.2 0.557 95.8 94.2-103.2 -8.1 11.9 -23.7 -6.9 520 566 A K H X S+ 0 0 40 -4,-1.9 4,-1.5 1,-0.2 3,-0.2 0.926 91.4 36.4 -51.2 -60.3 12.9 -25.1 -10.3 521 567 A Q H X S+ 0 0 90 -4,-0.6 4,-2.7 1,-0.2 5,-0.2 0.908 113.8 55.8 -64.1 -43.5 15.8 -27.4 -9.4 522 568 A P H > S+ 0 0 23 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 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-4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.927 106.8 50.6 -74.2 -47.6 15.9 -31.5 -17.5 543 589 A K H X S+ 0 0 141 -4,-2.0 4,-1.3 1,-0.2 -2,-0.2 0.888 111.2 51.4 -57.2 -39.3 16.9 -30.6 -21.1 544 590 A R H X S+ 0 0 108 -4,-1.9 4,-1.4 2,-0.2 -1,-0.2 0.838 107.9 49.9 -66.9 -38.9 13.2 -31.0 -22.2 545 591 A L H X S+ 0 0 6 -4,-1.3 4,-2.0 1,-0.2 -1,-0.2 0.897 107.7 55.5 -69.1 -40.2 11.8 -28.7 -19.4 546 592 A E H X S+ 0 0 62 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.857 104.7 53.4 -59.3 -37.9 14.4 -26.0 -20.4 547 593 A A H X S+ 0 0 52 -4,-1.3 4,-2.2 2,-0.2 -1,-0.2 0.896 107.3 50.8 -66.4 -38.0 13.1 -26.1 -23.9 548 594 A L H X S+ 0 0 37 -4,-1.4 4,-1.7 2,-0.2 -2,-0.2 0.866 112.8 46.3 -68.0 -33.2 9.5 -25.5 -22.6 549 595 A I H X S+ 0 0 5 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.924 109.2 54.1 -74.8 -42.4 10.7 -22.6 -20.6 550 596 A A H <>S+ 0 0 33 -4,-2.8 5,-2.0 1,-0.2 4,-0.4 0.929 110.3 47.8 -55.3 -45.6 12.7 -21.1 -23.5 551 597 A E H ><5S+ 0 0 51 -4,-2.2 3,-0.9 2,-0.2 -1,-0.2 0.900 111.6 48.3 -63.4 -43.1 9.6 -21.2 -25.8 552 598 A S H 3<5S+ 0 0 7 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.921 110.7 52.5 -61.9 -44.2 7.3 -19.6 -23.2 553 599 A D T 3<5S- 0 0 18 -4,-2.6 -1,-0.2 -213,-0.1 -2,-0.2 0.515 105.6-130.3 -68.1 -11.0 9.9 -16.8 -22.6 554 600 A L T <>5 + 0 0 3 -3,-0.9 4,-1.8 -4,-0.4 -3,-0.2 0.870 49.9 159.0 60.5 35.1 10.1 -16.1 -26.3 555 601 A R H >< + 0 0 120 -5,-2.0 4,-0.5 2,-0.2 -4,-0.1 0.869 64.7 52.4 -60.9 -39.5 13.9 -16.3 -26.0 556 602 A E H >4 S+ 0 0 187 -6,-0.3 3,-1.6 1,-0.2 -1,-0.2 0.970 110.1 47.1 -65.0 -50.2 14.5 -17.1 -29.7 557 603 A L H 34 S+ 0 0 59 1,-0.3 -1,-0.2 2,-0.1 -2,-0.2 0.871 111.1 52.7 -55.6 -39.3 12.5 -14.1 -31.0 558 604 A K H 3< 0 0 91 -4,-1.8 -1,-0.3 -223,-0.1 -2,-0.2 0.629 360.0 360.0 -70.9 -13.0 14.3 -11.9 -28.4 559 605 A G << 0 0 101 -3,-1.6 -3,-0.2 -4,-0.5 -2,-0.1 0.852 360.0 360.0 50.4 360.0 17.5 -13.3 -29.9 560 !* 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 0.0 561 1 B M 0 0 131 0, 0.0 467,-0.2 0, 0.0 466,-0.1 0.000 360.0 360.0 360.0 133.9 -49.2 -25.9 -21.9 562 2 B F + 0 0 11 465,-3.5 468,-2.1 464,-0.1 2,-0.2 -0.488 360.0 88.9-157.5 76.5 -52.1 -27.1 -19.6 563 3 B S S > S- 0 0 2 466,-0.2 4,-2.6 467,-0.2 5,-0.1 -0.634 94.6 -43.1-147.4-156.6 -51.1 -26.9 -16.0 564 4 B N H > S+ 0 0 50 462,-0.3 4,-2.0 1,-0.2 5,-0.1 0.755 132.9 53.5 -56.4 -25.4 -51.0 -24.6 -12.9 565 5 B K H > S+ 0 0 134 2,-0.2 4,-1.7 1,-0.2 3,-0.2 0.981 109.7 43.7 -71.6 -61.0 -49.8 -21.8 -15.2 566 6 B T H > S+ 0 0 42 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.845 113.7 59.0 -51.8 -33.2 -52.7 -22.1 -17.7 567 7 B R H X S+ 0 0 9 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.942 101.7 47.3 -64.6 -52.3 -54.8 -22.4 -14.6 568 8 B Q H X S+ 0 0 73 -4,-2.0 4,-1.6 -3,-0.2 -1,-0.2 0.838 110.6 53.9 -61.1 -33.5 -54.0 -19.0 -12.9 569 9 B D H X S+ 0 0 80 -4,-1.7 4,-2.4 2,-0.2 3,-0.3 0.968 106.8 52.4 -63.3 -51.6 -54.5 -17.2 -16.2 570 10 B S H X S+ 0 0 11 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.883 105.2 53.5 -50.5 -49.0 -58.0 -18.7 -16.6 571 11 B I H < S+ 0 0 3 -4,-2.0 3,-0.3 1,-0.2 -1,-0.2 0.916 111.5 47.3 -54.2 -44.7 -59.1 -17.6 -13.1 572 12 B Q H >< S+ 0 0 95 -4,-1.6 3,-1.6 -3,-0.3 -2,-0.2 0.895 106.2 56.2 -65.4 -44.0 -58.1 -14.1 -14.0 573 13 B K H 3< S+ 0 0 116 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.807 99.6 61.2 -61.2 -28.1 -59.8 -14.0 -17.4 574 14 B M T 3< 0 0 9 -4,-1.6 208,-0.4 -3,-0.3 -1,-0.3 0.143 360.0 360.0 -85.0 22.4 -63.1 -14.9 -15.7 575 15 B Q < 0 0 109 -3,-1.6 -2,-0.2 206,-0.1 -1,-0.2 0.861 360.0 360.0-105.1 360.0 -62.9 -11.7 -13.7 576 ! 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 0.0 577 18 B E 0 0 119 0, 0.0 206,-0.3 0, 0.0 207,-0.2 0.000 360.0 360.0 360.0 101.2 -69.6 -11.5 -18.5 578 19 B L E -s 783 0F 9 204,-3.2 206,-2.9 205,-0.1 207,-0.2 -0.104 360.0-127.9 -58.0 157.0 -69.0 -15.0 -19.9 579 20 B D E S+ 0 0 27 23,-1.3 206,-1.9 1,-0.3 2,-0.4 0.939 89.6 13.8 -74.5 -46.9 -71.6 -16.6 -22.1 580 21 B L E -st 785 603F 1 22,-2.2 24,-2.7 204,-0.2 2,-0.5 -0.978 57.6-163.4-139.7 129.5 -71.8 -19.8 -20.1 581 22 B L E -st 786 604F 1 204,-3.3 206,-2.5 -2,-0.4 2,-0.5 -0.924 15.4-160.0-106.5 126.8 -70.7 -21.0 -16.6 582 23 B I E -st 787 605F 0 22,-0.8 24,-2.5 -2,-0.5 2,-0.7 -0.933 4.0-155.0-111.8 124.5 -70.6 -24.8 -16.1 583 24 B I E +st 788 606F 10 204,-2.6 206,-2.4 -2,-0.5 24,-0.2 -0.834 62.4 44.2-100.9 106.8 -70.6 -26.2 -12.5 584 25 B G - 0 0 10 22,-1.8 23,-0.2 -2,-0.7 206,-0.1 -0.012 56.2-146.2 130.3 125.0 -69.0 -29.7 -12.4 585 26 B G + 0 0 0 25,-0.2 27,-1.6 4,-0.1 22,-0.1 0.021 63.1 105.4-107.8 30.5 -66.0 -31.3 -13.8 586 27 B G S > S- 0 0 18 203,-0.5 4,-2.2 25,-0.2 5,-0.1 0.078 94.7 -72.4 -87.7-158.5 -67.2 -34.8 -14.4 587 28 B I H > S+ 0 0 6 2,-0.2 4,-1.4 3,-0.2 5,-0.1 0.841 132.2 53.0 -69.0 -31.1 -68.1 -36.5 -17.7 588 29 B T H >> S+ 0 0 28 2,-0.2 4,-1.8 1,-0.2 3,-0.8 0.996 114.1 37.5 -66.7 -62.1 -71.3 -34.4 -17.9 589 30 B G H 3> S+ 0 0 0 200,-0.5 4,-1.8 1,-0.3 5,-0.2 0.900 114.9 57.4 -55.9 -41.5 -69.7 -31.0 -17.5 590 31 B A H 3X S+ 0 0 0 -4,-2.2 4,-1.6 1,-0.2 -1,-0.3 0.831 107.0 48.4 -61.2 -31.1 -66.8 -32.1 -19.6 591 32 B G H X S+ 0 0 0 -4,-1.8 4,-2.9 1,-0.2 3,-0.9 0.970 112.1 43.9 -59.2 -53.3 -71.1 -29.7 -22.4 593 34 B A H 3X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 5,-0.5 0.913 104.1 62.6 -59.1 -46.8 -67.9 -27.6 -22.8 594 35 B V H 3X S+ 0 0 10 -4,-1.6 4,-0.6 -5,-0.2 -1,-0.2 0.807 115.7 34.7 -50.7 -29.2 -66.3 -29.8 -25.5 595 36 B Q H < S+ 0 0 0 -4,-2.9 3,-1.2 1,-0.2 5,-0.4 0.936 111.1 48.2 -52.5 -52.5 -70.0 -25.2 -26.5 597 38 B A H >< S+ 0 0 10 -4,-2.3 3,-2.3 1,-0.3 -1,-0.2 0.944 107.8 53.9 -54.8 -52.0 -66.4 -24.2 -27.2 598 39 B A H 3< S+ 0 0 18 -4,-0.6 -1,-0.3 -5,-0.5 -2,-0.2 0.712 111.1 50.6 -57.3 -16.2 -66.3 -25.9 -30.6 599 40 B S T << S- 0 0 2 -3,-1.2 368,-1.7 -4,-0.9 -1,-0.3 0.397 120.7-103.8-103.5 2.0 -69.5 -23.7 -31.3 600 41 B G < + 0 0 53 -3,-2.3 -3,-0.1 -4,-0.3 3,-0.1 -0.345 68.8 139.9 111.8 -55.1 -68.1 -20.4 -30.2 601 42 B I - 0 0 8 -5,-0.4 2,-0.8 -2,-0.2 -1,-0.3 0.244 58.2-118.9 -26.3 133.6 -69.6 -19.7 -26.8 602 43 B K - 0 0 97 145,-0.1 -22,-2.2 2,-0.0 -23,-1.3 -0.859 45.5-170.9 -77.6 111.9 -67.3 -18.1 -24.3 603 44 B T E -t 580 0F 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65.1 16.0 -63.2 -36.7 -13.0 613 54 B E < + 0 0 24 -3,-1.2 -1,-0.1 -28,-0.1 -2,-0.1 0.361 60.7 69.6 -86.5 10.5 -62.6 -37.2 -9.2 614 55 B G S > S- 0 0 11 -4,-0.1 3,-0.7 -29,-0.1 4,-0.1 0.301 120.6 -47.0 -96.5-133.5 -66.4 -37.7 -8.8 615 56 B T G > S+ 0 0 35 1,-0.2 3,-2.7 2,-0.2 2,-0.2 0.827 121.9 80.1 -73.4 -29.4 -68.5 -40.6 -9.9 616 57 B S G 3 S+ 0 0 18 1,-0.3 -1,-0.2 2,-0.1 119,-0.2 0.264 99.4 40.4 -64.8 16.5 -67.0 -40.5 -13.4 617 58 B S G < S+ 0 0 16 -3,-0.7 -1,-0.3 -2,-0.2 -2,-0.2 0.238 108.0 62.9-139.8 1.8 -64.0 -42.4 -12.0 618 59 B R S < S+ 0 0 46 -3,-2.7 -2,-0.1 284,-0.1 196,-0.1 -0.023 78.0 106.3-122.4 30.0 -65.8 -44.8 -9.8 619 60 B S S S- 0 0 31 -4,-0.1 112,-0.1 281,-0.1 -3,-0.0 -0.272 89.3 -85.1 -99.2-172.1 -68.0 -46.9 -12.2 620 61 B T - 0 0 48 2,-0.1 109,-0.1 -2,-0.1 3,-0.1 0.697 57.2-132.8 -67.8 -14.1 -67.9 -50.4 -13.5 621 62 B K + 0 0 8 1,-0.2 108,-1.0 107,-0.1 2,-0.3 0.968 66.0 99.7 60.4 57.0 -65.5 -49.1 -16.2 622 63 B L E -Y 728 0G 11 106,-0.2 -1,-0.2 2,-0.1 106,-0.2 -0.924 69.2-131.4-155.6 174.2 -67.1 -50.8 -19.2 623 64 B V E -Y 727 0G 13 104,-2.1 104,-1.1 -2,-0.3 2,-0.2 -0.682 35.0-169.7-137.1 75.5 -69.5 -50.1 -22.0 624 65 B H - 0 0 12 -2,-0.2 102,-0.1 102,-0.2 -2,-0.1 -0.496 20.2-144.5 -72.5 134.6 -72.0 -53.0 -21.8 625 66 B G - 0 0 0 100,-0.2 17,-0.2 -2,-0.2 -1,-0.1 0.796 31.0-126.8 -69.7 -31.2 -74.4 -53.6 -24.6 626 67 B G > + 0 0 3 15,-0.1 3,-2.6 2,-0.0 4,-0.3 0.768 43.4 165.3 89.1 28.7 -77.3 -54.7 -22.5 627 68 B I G > + 0 0 4 1,-0.3 3,-1.8 2,-0.2 4,-0.2 0.768 67.7 76.5 -46.3 -28.8 -78.1 -58.0 -24.2 628 69 B R G > S+ 0 0 43 1,-0.3 3,-1.7 287,-0.3 -1,-0.3 0.787 78.5 71.3 -55.2 -31.7 -80.2 -58.9 -21.1 629 70 B Y G X >S+ 0 0 23 -3,-2.6 5,-2.2 1,-0.3 3,-1.5 0.714 79.3 74.6 -60.7 -24.1 -83.0 -56.5 -22.3 630 71 B L G X 5S+ 0 0 21 -3,-1.8 3,-1.3 -4,-0.3 -1,-0.3 0.680 78.0 77.5 -63.7 -15.3 -84.0 -58.9 -25.1 631 72 B K G < 5S+ 0 0 133 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.803 106.7 30.1 -64.9 -28.0 -85.6 -61.2 -22.4 632 73 B T G < 5S- 0 0 112 -3,-1.5 -1,-0.3 -4,-0.2 -2,-0.2 0.071 117.7-113.4-113.7 17.7 -88.5 -58.8 -22.3 633 74 B F T < 5 + 0 0 142 -3,-1.3 2,-2.0 1,-0.2 3,-0.2 0.833 57.4 162.5 50.7 39.0 -88.1 -57.9 -25.9 634 75 B D >< + 0 0 64 -5,-2.2 4,-1.1 1,-0.2 -1,-0.2 -0.601 10.6 156.6 -84.2 74.9 -87.1 -54.3 -24.9 635 76 B V H > + 0 0 43 -2,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.771 58.5 59.8 -78.3 -27.6 -85.5 -53.9 -28.3 636 77 B E H > S+ 0 0 158 -3,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.875 105.0 51.4 -71.7 -31.2 -85.7 -50.1 -28.7 637 78 B V H > S+ 0 0 23 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.907 110.1 49.1 -67.0 -42.7 -83.5 -49.7 -25.6 638 79 B V H X S+ 0 0 0 -4,-1.1 4,-2.2 1,-0.2 5,-0.3 0.875 109.2 52.6 -65.0 -38.8 -80.9 -52.1 -26.9 639 80 B A H X S+ 0 0 36 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.914 109.0 48.7 -64.9 -43.9 -80.8 -50.3 -30.3 640 81 B D H X S+ 0 0 83 -4,-1.9 4,-2.9 2,-0.2 5,-0.3 0.965 112.4 50.4 -57.7 -51.5 -80.1 -46.9 -28.7 641 82 B T H X S+ 0 0 23 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.906 112.7 41.1 -54.0 -57.6 -77.3 -48.3 -26.6 642 83 B V H < S+ 0 0 9 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