==== 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 01-OCT-07 2RGH . 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 . 546 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22297.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 371 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 3.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 68 12.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 24 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 174 31.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 1 1 1 1 0 1 0 1 1 2 3 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 2 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 PARALLEL BRIDGES PER LADDER . 1 3 2 2 2 1 1 1 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 2 0 2 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 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 0 A C 0 0 124 0, 0.0 3,-0.3 0, 0.0 478,-0.1 0.000 360.0 360.0 360.0 -22.5 11.4 41.1 47.9 2 1 A X + 0 0 112 1,-0.2 2,-0.3 476,-0.2 477,-0.2 0.983 360.0 1.7 -65.6 -63.8 12.3 37.4 47.7 3 2 A F S S+ 0 0 9 475,-1.2 478,-2.8 4,-0.1 -1,-0.2 -0.667 94.6 113.0-134.6 82.6 13.7 36.5 51.1 4 3 A S S > S- 0 0 2 -2,-0.3 4,-2.4 -3,-0.3 5,-0.1 -0.587 81.8 -70.9-133.8-167.4 13.7 39.3 53.6 5 4 A N H > S+ 0 0 28 472,-0.4 4,-2.0 477,-0.3 5,-0.1 0.862 130.8 52.9 -59.0 -35.8 12.2 40.5 56.9 6 5 A K H > S+ 0 0 124 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.955 108.0 49.5 -63.8 -50.8 8.9 41.1 55.0 7 6 A T H > S+ 0 0 25 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.910 109.6 53.3 -52.3 -45.6 8.9 37.5 53.7 8 7 A R H X S+ 0 0 10 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.897 107.0 50.0 -58.1 -45.1 9.5 36.3 57.2 9 8 A Q H X S+ 0 0 102 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.871 110.5 51.5 -62.4 -38.5 6.5 38.3 58.5 10 9 A D H X S+ 0 0 90 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.946 111.2 47.0 -62.7 -50.0 4.4 36.7 55.8 11 10 A S H X S+ 0 0 5 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.895 106.9 57.3 -59.4 -42.5 5.6 33.2 56.7 12 11 A I H < S+ 0 0 10 -4,-2.6 4,-0.3 1,-0.2 -1,-0.2 0.918 112.6 41.7 -55.4 -43.2 4.9 33.9 60.4 13 12 A Q H >X S+ 0 0 100 -4,-1.7 3,-1.4 1,-0.2 4,-0.7 0.923 113.0 52.1 -71.8 -44.5 1.3 34.6 59.6 14 13 A K H >X S+ 0 0 85 -4,-2.7 4,-1.5 1,-0.3 3,-0.8 0.838 103.0 59.8 -60.2 -34.4 0.9 31.8 57.1 15 14 A X H 3< S+ 0 0 1 -4,-2.5 210,-0.6 1,-0.2 -1,-0.3 0.604 104.8 50.1 -71.3 -12.6 2.2 29.3 59.6 16 15 A Q H <4 S+ 0 0 68 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.2 0.571 112.1 46.9 -98.8 -11.9 -0.6 30.1 62.0 17 16 A Q H << S+ 0 0 131 -3,-0.8 2,-0.4 -4,-0.7 -2,-0.2 0.690 109.6 43.5-103.0 -25.5 -3.4 29.8 59.4 18 17 A E S < S- 0 0 55 -4,-1.5 2,-0.6 207,-0.1 207,-0.2 -0.967 79.9-117.2-127.9 141.2 -2.7 26.5 57.6 19 18 A E - 0 0 86 -2,-0.4 207,-0.2 205,-0.1 25,-0.1 -0.654 35.3-140.3 -77.4 120.6 -1.7 23.1 58.9 20 19 A L B -a 226 0A 0 205,-2.1 207,-2.4 -2,-0.6 208,-0.2 -0.367 11.9-138.0 -78.5 157.3 1.7 22.2 57.6 21 20 A D S S+ 0 0 24 23,-1.4 207,-0.4 1,-0.3 2,-0.3 0.758 92.6 13.5 -80.7 -28.4 2.8 18.7 56.4 22 21 A L E -b 45 0B 0 22,-1.9 24,-2.5 205,-0.2 2,-0.5 -0.945 59.5-164.4-155.3 127.8 6.1 19.2 58.2 23 22 A L E -bc 46 229B 0 205,-2.9 207,-2.4 -2,-0.3 2,-0.4 -0.960 17.7-154.1-113.0 120.6 7.6 21.7 60.7 24 23 A I E -bc 47 230B 0 22,-3.4 24,-2.4 -2,-0.5 2,-0.7 -0.801 2.0-153.1 -98.5 132.0 11.4 21.7 61.0 25 24 A I E +bc 48 231B 9 205,-2.5 207,-2.8 -2,-0.4 24,-0.2 -0.901 65.8 36.7-107.5 111.3 13.2 22.8 64.2 26 25 A G - 0 0 9 22,-2.7 23,-0.2 -2,-0.7 2,-0.1 0.266 57.9-145.0 116.9 118.8 16.6 24.1 63.5 27 26 A G + 0 0 0 4,-0.1 27,-2.0 25,-0.1 28,-0.2 -0.280 61.9 112.1-104.6 44.5 18.0 26.2 60.7 28 27 A G S > S- 0 0 15 204,-0.5 4,-2.6 25,-0.2 5,-0.2 -0.291 92.5 -76.4 -96.5-167.8 21.5 24.7 60.5 29 28 A I H > S+ 0 0 4 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.845 131.3 54.9 -61.3 -33.2 22.8 22.7 57.6 30 29 A T H > S+ 0 0 23 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.980 114.5 36.3 -65.3 -55.9 20.8 19.7 58.8 31 30 A G H > S+ 0 0 0 201,-0.5 4,-2.6 1,-0.2 -2,-0.2 0.847 116.4 56.0 -64.9 -33.7 17.4 21.4 58.9 32 31 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.927 108.6 46.9 -63.5 -46.5 18.3 23.4 55.8 33 32 A G H X S+ 0 0 1 -4,-2.3 4,-1.7 -5,-0.2 -1,-0.2 0.838 112.9 48.2 -64.9 -35.9 19.0 20.3 53.9 34 33 A V H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.908 110.3 53.1 -70.3 -40.7 15.8 18.6 55.0 35 34 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 5,-0.3 0.909 108.0 50.4 -59.8 -43.4 13.8 21.7 54.2 36 35 A V H X S+ 0 0 8 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.909 113.9 44.1 -62.2 -43.7 15.3 21.7 50.6 37 36 A Q H X S+ 0 0 8 -4,-1.7 4,-0.6 2,-0.2 -1,-0.2 0.849 114.2 49.9 -72.7 -31.8 14.4 18.1 50.0 38 37 A A H ><>S+ 0 0 0 -4,-2.4 3,-1.2 2,-0.2 5,-0.6 0.973 112.6 44.5 -69.9 -54.9 10.9 18.4 51.5 39 38 A A H ><5S+ 0 0 11 -4,-2.5 3,-1.6 1,-0.3 -2,-0.2 0.888 111.6 53.5 -56.8 -42.8 9.8 21.5 49.6 40 39 A A H 3<5S+ 0 0 21 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.690 105.1 55.9 -67.1 -17.6 11.2 20.1 46.3 41 40 A S T <<5S- 0 0 1 -3,-1.2 357,-2.3 -4,-0.6 -1,-0.3 0.417 124.8-103.1 -92.2 -1.0 9.1 16.9 46.9 42 41 A G T < 5 + 0 0 56 -3,-1.6 2,-0.4 -4,-0.3 -3,-0.2 0.968 69.7 148.6 77.4 59.8 6.0 19.0 47.2 43 42 A I < - 0 0 10 -5,-0.6 2,-0.8 -4,-0.2 -1,-0.2 -0.991 57.6-114.0-129.5 125.6 5.5 19.1 50.9 44 43 A K - 0 0 86 -2,-0.4 -22,-1.9 -25,-0.1 -23,-1.4 -0.397 54.5-174.9 -55.2 101.9 3.9 22.0 52.9 45 44 A T E +b 22 0B 3 -2,-0.8 146,-2.8 -24,-0.2 2,-0.3 -0.889 22.7 175.8-118.9 138.4 7.1 22.8 54.8 46 45 A G E -bd 23 191B 0 -24,-2.5 -22,-3.4 -2,-0.4 2,-0.3 -0.935 6.3-169.3-129.8 153.4 8.0 25.2 57.6 47 46 A L E -bd 24 192B 0 144,-1.9 146,-3.1 -2,-0.3 2,-0.4 -0.969 2.9-164.5-147.5 128.1 11.3 25.7 59.5 48 47 A I E -bd 25 193B 2 -24,-2.4 -22,-2.7 -2,-0.3 2,-0.4 -0.949 5.2-177.1-116.0 136.0 12.0 27.8 62.6 49 48 A E - 0 0 15 144,-2.3 147,-2.1 -2,-0.4 146,-0.4 -0.986 19.1-151.3-133.3 117.3 15.4 28.8 63.8 50 49 A X S S+ 0 0 49 -2,-0.4 147,-0.2 145,-0.3 2,-0.1 0.720 84.2 28.7 -64.4 -22.7 15.8 30.7 67.1 51 50 A Q S S- 0 0 19 1,-0.3 144,-2.4 145,-0.2 145,-0.3 -0.237 114.2 -56.9-113.3-155.3 19.0 32.5 66.0 52 51 A D S > S- 0 0 0 142,-0.2 3,-2.0 1,-0.1 -1,-0.3 -0.506 75.3 -79.7 -82.1 160.6 20.2 33.5 62.5 53 52 A F T 3 S+ 0 0 1 1,-0.3 -25,-0.2 428,-0.2 -1,-0.1 -0.423 118.6 8.3 -62.1 134.8 20.4 30.7 60.0 54 53 A A T 3 S+ 0 0 2 -27,-2.0 -1,-0.3 -2,-0.1 5,-0.1 0.463 88.7 125.3 72.1 3.0 23.7 28.7 60.5 55 54 A E < + 0 0 17 -3,-2.0 -2,-0.1 -28,-0.2 -1,-0.1 0.673 63.8 67.7 -69.3 -10.7 24.4 30.7 63.7 56 55 A G S > S- 0 0 10 -4,-0.3 3,-1.4 -29,-0.1 4,-0.1 0.283 123.9 -47.2 -79.9-145.3 24.7 27.3 65.4 57 56 A T G > S+ 0 0 34 1,-0.3 3,-2.2 2,-0.2 4,-0.1 0.768 123.5 79.2 -62.3 -25.6 27.4 24.7 64.8 58 57 A S G 3 S+ 0 0 12 1,-0.3 -1,-0.3 2,-0.2 120,-0.2 0.483 98.3 41.2 -66.4 -0.1 27.1 25.1 61.0 59 58 A S G < S+ 0 0 13 -3,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.210 109.9 60.3-126.2 12.5 29.1 28.3 61.0 60 59 A R S < S+ 0 0 42 -3,-2.2 -2,-0.2 -4,-0.1 285,-0.1 0.040 76.6 111.1-128.0 24.7 31.7 27.2 63.5 61 60 A S S S- 0 0 28 -4,-0.1 113,-0.0 283,-0.1 -3,-0.0 -0.202 88.2 -92.5 -88.8-174.0 33.3 24.1 61.8 62 61 A T - 0 0 27 2,-0.2 110,-0.1 -2,-0.1 3,-0.1 0.498 61.0-120.4 -77.6 -1.6 36.8 23.9 60.4 63 62 A K S S+ 0 0 9 1,-0.2 109,-2.1 108,-0.1 2,-0.3 0.939 72.7 103.6 60.1 51.9 35.3 25.0 57.1 64 63 A L E -G 171 0C 14 107,-0.3 2,-0.7 2,-0.1 107,-0.3 -0.980 64.6-133.0-148.4 155.2 36.1 22.1 54.9 65 64 A V E +G 170 0C 1 105,-2.1 105,-1.8 -2,-0.3 2,-0.2 -0.898 47.8 151.1-101.6 101.8 34.4 19.1 53.3 66 65 A H - 0 0 28 -2,-0.7 306,-0.1 103,-0.2 103,-0.1 -0.679 50.7-125.3-121.0 176.9 36.7 16.1 54.0 67 66 A G - 0 0 2 -2,-0.2 17,-0.3 17,-0.1 16,-0.2 0.344 47.9-109.8-105.3 5.8 36.4 12.4 54.5 68 67 A G > - 0 0 3 15,-0.1 3,-2.2 1,-0.1 4,-0.3 0.963 39.6-175.1 66.0 50.8 38.2 11.9 57.8 69 68 A I G > S+ 0 0 4 1,-0.3 3,-1.6 2,-0.2 4,-0.2 0.762 75.8 70.6 -52.2 -25.4 41.2 10.1 56.3 70 69 A R G > S+ 0 0 88 1,-0.3 3,-2.3 2,-0.2 4,-0.3 0.836 83.2 70.3 -62.7 -30.2 42.5 9.6 59.8 71 70 A Y G X >S+ 0 0 81 -3,-2.2 5,-2.4 1,-0.3 3,-0.7 0.604 81.5 74.0 -64.0 -11.0 39.7 7.1 60.5 72 71 A L G X 5S+ 0 0 16 -3,-1.6 3,-1.0 -4,-0.3 -1,-0.3 0.713 80.4 72.5 -74.3 -17.9 41.5 4.7 58.1 73 72 A K G < 5S+ 0 0 117 -3,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.803 106.4 35.4 -66.4 -27.6 44.1 4.2 60.9 74 73 A T G < 5S- 0 0 101 -3,-0.7 -1,-0.3 -4,-0.3 -2,-0.2 0.252 120.1-113.1-105.7 9.0 41.5 2.1 62.8 75 74 A F T < 5 + 0 0 145 -3,-1.0 2,-1.8 1,-0.2 3,-0.3 0.840 58.1 157.9 62.4 39.4 40.1 0.8 59.5 76 75 A D >< + 0 0 66 -5,-2.4 4,-1.9 1,-0.2 -1,-0.2 -0.496 12.0 157.1 -89.2 66.9 36.7 2.5 59.7 77 76 A V H > + 0 0 43 -2,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.784 63.6 52.8 -66.7 -31.8 36.3 2.1 56.0 78 77 A E H > S+ 0 0 146 -3,-0.3 4,-2.6 2,-0.2 5,-0.3 0.944 110.2 48.5 -72.1 -43.2 32.5 2.3 55.7 79 78 A V H > S+ 0 0 72 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.928 117.1 42.3 -59.2 -44.4 32.5 5.6 57.7 80 79 A V H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.813 112.0 56.0 -70.7 -32.8 35.2 7.0 55.5 81 80 A A H X S+ 0 0 27 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.942 107.6 46.6 -65.3 -49.0 33.6 5.6 52.3 82 81 A D H X S+ 0 0 64 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.927 113.8 49.3 -60.7 -45.0 30.2 7.3 52.9 83 82 A T H X S+ 0 0 10 -4,-1.7 4,-1.3 -5,-0.3 -2,-0.2 0.925 111.0 45.8 -62.7 -48.9 31.8 10.6 53.7 84 83 A V H X S+ 0 0 1 -4,-2.1 4,-0.9 -17,-0.3 -1,-0.2 0.763 109.9 56.4 -68.5 -24.4 34.2 10.9 50.7 85 84 A G H X S+ 0 0 32 -4,-1.5 4,-1.1 -5,-0.2 3,-0.4 0.902 107.5 48.2 -71.8 -38.0 31.4 9.8 48.4 86 85 A E H X S+ 0 0 9 -4,-1.7 4,-3.0 1,-0.2 5,-0.3 0.783 96.6 74.3 -71.2 -23.9 29.3 12.7 49.6 87 86 A R H X S+ 0 0 4 -4,-1.3 4,-1.7 1,-0.2 -1,-0.2 0.933 103.2 38.1 -51.8 -51.0 32.2 15.0 49.1 88 87 A A H X S+ 0 0 61 -4,-0.9 4,-2.1 -3,-0.4 -1,-0.2 0.790 112.7 58.4 -73.6 -28.6 31.7 14.9 45.4 89 88 A V H X S+ 0 0 26 -4,-1.1 4,-1.6 2,-0.2 -2,-0.2 0.957 108.3 44.7 -66.9 -46.4 27.9 14.9 45.7 90 89 A V H X S+ 0 0 2 -4,-3.0 4,-1.5 1,-0.2 -2,-0.2 0.883 110.9 54.3 -64.4 -38.8 27.9 18.2 47.6 91 90 A Q H < S+ 0 0 38 -4,-1.7 3,-0.3 -5,-0.3 -1,-0.2 0.921 107.4 53.1 -58.9 -43.5 30.4 19.7 45.1 92 91 A G H < S+ 0 0 18 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.830 115.1 37.2 -62.9 -34.9 28.0 18.7 42.4 93 92 A I H < S+ 0 0 5 -4,-1.6 314,-2.1 1,-0.2 -1,-0.2 0.556 128.8 32.9 -96.0 -7.4 25.0 20.5 43.9 94 93 A A >< + 0 0 0 -4,-1.5 3,-2.7 -3,-0.3 -1,-0.2 -0.375 66.9 162.0-142.2 57.0 26.8 23.5 45.2 95 94 A P T 3 S+ 0 0 0 0, 0.0 315,-0.1 0, 0.0 -3,-0.1 0.672 76.4 55.0 -52.3 -22.3 29.7 24.1 42.7 96 95 A H T 3 S+ 0 0 4 349,-0.1 350,-0.2 -3,-0.1 3,-0.1 0.513 110.4 46.6 -91.3 -2.6 30.2 27.6 44.0 97 96 A I S < S+ 0 0 11 -3,-2.7 2,-0.3 1,-0.3 -6,-0.1 0.803 103.3 41.3-101.8 -90.6 30.7 26.5 47.6 98 97 A P S S- 0 0 0 0, 0.0 -1,-0.3 0, 0.0 74,-0.2 -0.480 70.4-175.6 -64.7 126.3 33.0 23.6 48.3 99 98 A K E -H 171 0C 9 72,-2.2 72,-1.8 -2,-0.3 -34,-0.2 -0.959 32.2 -95.7-128.0 146.6 36.2 23.8 46.2 100 99 A P E +H 170 0C 38 0, 0.0 70,-0.2 0, 0.0 68,-0.1 -0.320 43.6 166.9 -60.7 133.2 39.1 21.4 45.8 101 100 A D - 0 0 28 68,-3.2 66,-0.1 66,-0.0 -2,-0.0 -0.568 31.4-134.6-150.3 77.2 42.1 22.3 48.0 102 101 A P - 0 0 37 0, 0.0 66,-0.3 0, 0.0 2,-0.2 0.024 20.6-127.9 -38.0 132.2 44.7 19.5 48.2 103 102 A X E -I 167 0D 5 64,-2.8 64,-1.1 169,-0.1 2,-0.6 -0.598 8.3-146.6 -86.5 145.7 46.0 18.8 51.7 104 103 A L E -Ij 166 274D 0 169,-2.6 171,-2.2 -2,-0.2 62,-0.2 -0.965 16.2-173.6-113.4 116.1 49.7 18.7 52.7 105 104 A L E -I 165 0D 6 60,-2.9 60,-1.6 -2,-0.6 2,-0.2 -0.843 7.8-159.5-116.9 95.3 50.3 16.1 55.4 106 105 A P E -I 164 0D 4 0, 0.0 2,-0.4 0, 0.0 171,-0.4 -0.509 5.8-148.1 -76.5 140.9 53.9 16.1 56.7 107 106 A I E -I 163 0D 8 56,-2.6 55,-3.1 -2,-0.2 56,-0.7 -0.905 10.5-165.9-113.2 137.7 55.3 13.1 58.6 108 107 A Y E -I 161 0D 9 -2,-0.4 53,-0.2 53,-0.2 3,-0.2 -0.889 17.4-166.0-120.5 150.5 57.9 13.2 61.4 109 108 A E S S+ 0 0 127 51,-1.6 3,-0.4 -2,-0.3 51,-0.1 0.502 82.4 64.4-111.3 -6.2 60.0 10.4 62.9 110 109 A D S S+ 0 0 80 1,-0.2 -1,-0.1 50,-0.1 3,-0.1 0.107 86.2 70.0-106.6 22.6 61.2 12.2 66.0 111 110 A E S S- 0 0 19 1,-0.5 -1,-0.2 -3,-0.2 170,-0.1 -0.002 99.0-113.2-127.5 28.1 57.9 12.8 67.9 112 111 A G S S+ 0 0 44 -3,-0.4 -1,-0.5 168,-0.0 -4,-0.1 -0.330 77.4 10.2 76.2-158.2 57.0 9.2 68.9 113 112 A A S S- 0 0 88 -3,-0.1 2,-0.3 168,-0.1 170,-0.2 -0.244 71.8-167.9 -57.8 138.2 54.0 7.3 67.6 114 113 A T - 0 0 36 1,-0.1 3,-0.1 167,-0.0 -1,-0.0 -0.866 34.2-117.7-126.6 162.3 52.3 9.0 64.6 115 114 A T S S+ 0 0 25 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.943 97.9 2.4 -64.1 -47.0 49.1 8.4 62.7 116 115 A F - 0 0 8 -3,-0.1 2,-0.2 4,-0.0 -1,-0.1 -0.904 62.2-152.6-129.5 161.8 51.0 7.6 59.5 117 116 A N > - 0 0 82 -2,-0.3 4,-2.8 -10,-0.1 5,-0.3 -0.688 48.8 -83.0-114.7-174.3 54.5 7.1 58.3 118 117 A X H > S+ 0 0 55 -2,-0.2 4,-0.7 1,-0.2 46,-0.0 0.871 129.4 41.9 -54.3 -40.4 55.9 7.6 54.8 119 118 A F H > S+ 0 0 167 2,-0.2 4,-1.5 1,-0.1 3,-0.3 0.939 117.6 41.9 -75.9 -50.1 54.8 4.1 53.8 120 119 A S H > S+ 0 0 36 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.823 107.2 60.7 -72.1 -28.2 51.3 4.0 55.4 121 120 A V H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 -1,-0.2 0.885 104.6 51.4 -65.5 -33.4 50.3 7.5 54.4 122 121 A K H X S+ 0 0 66 -4,-0.7 4,-2.4 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-2,-0.3 -3,-0.0 10,-0.1 -2,-0.0 -0.880 44.1-106.0-101.1 133.0 23.4 54.5 44.4 461 520 A P - 0 0 68 0, 0.0 6,-0.1 0, 0.0 3,-0.1 -0.265 37.0-107.2 -58.7 140.4 26.0 53.1 46.9 462 521 A Y > - 0 0 20 4,-0.3 3,-1.7 1,-0.1 8,-0.1 -0.296 52.6 -79.9 -61.9 155.1 25.2 53.5 50.6 463 522 A P T 3 S+ 0 0 103 0, 0.0 50,-0.2 0, 0.0 -1,-0.1 -0.322 115.8 11.7 -59.5 136.8 27.2 56.2 52.3 464 523 A G T 3 S+ 0 0 63 1,-0.2 2,-0.3 -3,-0.1 46,-0.1 0.496 111.8 93.2 75.3 2.3 30.7 55.0 53.3 465 524 A L S < S- 0 0 15 -3,-1.7 -1,-0.2 44,-0.1 2,-0.0 -0.937 74.7-116.1-127.5 152.9 30.5 51.8 51.2 466 525 A S > - 0 0 64 -2,-0.3 4,-2.6 1,-0.1 -4,-0.3 -0.254 33.3-107.3 -76.5 169.3 31.6 51.0 47.7 467 526 A L H > S+ 0 0 43 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.885 121.3 51.5 -66.0 -39.3 29.1 50.0 45.0 468 527 A A H > S+ 0 0 8 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.972 114.0 42.8 -61.0 -52.1 30.2 46.4 45.1 469 528 A E H > S+ 0 0 23 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.864 112.9 52.6 -63.3 -38.9 29.8 46.3 48.9 470 529 A S H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.858 107.6 52.4 -66.1 -36.0 26.5 48.1 48.8 471 530 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.911 110.3 47.5 -65.8 -43.8 25.1 45.6 46.3 472 531 A R H X S+ 0 0 13 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.931 113.4 47.4 -61.6 -48.2 26.1 42.6 48.4 473 532 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.908 112.6 49.5 -60.7 -45.1 24.5 44.2 51.6 474 533 A R H X S+ 0 0 45 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.901 111.9 49.0 -60.9 -43.5 21.3 45.1 49.7 475 534 A Y H X S+ 0 0 1 -4,-2.3 4,-3.3 2,-0.2 5,-0.3 0.929 110.4 50.4 -62.7 -45.4 21.2 41.6 48.3 476 535 A G H X S+ 0 0 0 -4,-2.9 4,-1.6 1,-0.2 6,-1.4 0.923 114.8 44.0 -58.5 -44.2 21.7 40.1 51.8 477 536 A L H < S+ 0 0 0 -4,-2.6 -472,-0.4 4,-0.2 -2,-0.2 0.892 122.6 36.8 -67.1 -41.4 18.9 42.4 53.2 478 537 A E H < S+ 0 0 29 -4,-2.8 -475,-1.2 -5,-0.2 -2,-0.2 0.740 136.0 13.9 -85.2 -26.8 16.5 41.7 50.3 479 538 A E H < S+ 0 0 20 -4,-3.3 -3,-0.2 -5,-0.2 -475,-0.2 0.245 122.7 50.2-137.8 15.5 17.2 38.0 49.6 480 539 A E S < S- 0 0 0 -4,-1.6 -476,-0.2 -5,-0.3 -3,-0.1 0.116 98.2-117.0-141.3 22.1 19.2 36.4 52.4 481 540 A X + 0 0 0 -478,-2.8 2,-0.4 -4,-0.2 -4,-0.2 0.819 42.3 179.1 41.0 51.3 17.1 37.5 55.4 482 541 A V + 0 0 0 -6,-1.4 -477,-0.3 1,-0.2 -1,-0.2 -0.665 11.6 163.9 -77.0 129.9 19.7 39.6 57.1 483 542 A L + 0 0 15 -2,-0.4 -1,-0.2 1,-0.3 -2,-0.1 0.546 63.1 32.3-120.7 -19.4 18.2 41.0 60.3 484 543 A A S >> S- 0 0 14 1,-0.1 3,-1.6 48,-0.0 4,-1.2 -0.988 80.9-115.5-141.2 145.7 21.3 42.1 62.2 485 544 A P H 3> S+ 0 0 2 0, 0.0 4,-3.1 0, 0.0 5,-0.3 0.840 114.7 61.0 -49.7 -36.1 24.7 43.5 61.1 486 545 A G H 3>>S+ 0 0 4 1,-0.2 4,-2.1 2,-0.2 5,-0.7 0.851 96.8 58.8 -61.3 -34.5 26.3 40.4 62.5 487 546 A D H <>>S+ 0 0 2 -3,-1.6 5,-2.4 3,-0.2 4,-1.5 0.944 115.2 37.0 -58.0 -45.9 24.4 38.1 60.1 488 547 A Y H <>S+ 0 0 0 -4,-1.2 5,-0.9 3,-0.2 7,-0.3 0.929 122.1 39.6 -72.6 -50.0 25.9 40.0 57.3 489 548 A L H <5S+ 0 0 2 -4,-3.1 7,-2.7 1,-0.2 8,-0.3 0.729 129.1 30.5 -74.4 -22.8 29.5 40.7 58.6 490 549 A I H <5S+ 0 0 30 -4,-2.1 -3,-0.2 -5,-0.3 7,-0.2 0.822 133.7 15.2 -99.0 -39.6 29.8 37.2 60.2 491 550 A R T < S+ 0 0 15 -2,-0.3 4,-2.2 1,-0.2 5,-0.5 0.088 73.7 117.0-104.8 21.7 33.8 36.7 55.6 495 554 A H H > S+ 0 0 7 -7,-0.3 4,-0.8 1,-0.2 7,-0.3 0.912 78.7 38.8 -55.4 -51.8 34.3 40.3 56.9 496 555 A L H 4 S+ 0 0 9 -7,-2.7 4,-0.2 -3,-0.2 -1,-0.2 0.946 125.5 32.5 -62.6 -51.6 34.6 39.4 60.6 497 556 A L H 4 S+ 0 0 10 -8,-0.3 -2,-0.2 -4,-0.2 -1,-0.1 0.846 132.8 19.1 -85.3 -38.0 36.6 36.3 60.4 498 557 A F H < S+ 0 0 4 -4,-2.2 -205,-0.5 1,-0.1 -3,-0.2 0.269 128.5 41.8-126.8 5.2 38.9 36.6 57.4 499 558 A E >< + 0 0 18 -4,-0.8 3,-2.3 -5,-0.5 4,-0.4 -0.039 65.7 138.7-142.0 34.3 39.0 40.3 56.6 500 559 A R G >> + 0 0 34 1,-0.3 3,-0.9 -4,-0.2 4,-0.6 0.744 67.2 62.0 -53.4 -31.9 39.3 41.7 60.2 501 560 A D G 34 S+ 0 0 96 1,-0.2 -1,-0.3 2,-0.1 -5,-0.1 0.469 110.0 41.3 -76.2 -1.6 41.8 44.4 59.2 502 561 A Q G <> S+ 0 0 108 -3,-2.3 4,-0.6 -7,-0.3 -1,-0.2 0.295 92.7 87.6-124.0 4.9 39.3 45.9 56.8 503 562 A L H X> S+ 0 0 1 -3,-0.9 4,-2.2 -4,-0.4 3,-1.0 0.908 78.1 59.6 -72.6 -45.1 36.3 45.7 59.1 504 563 A D H 3< S+ 0 0 92 -4,-0.6 4,-0.5 1,-0.3 -1,-0.2 0.789 100.4 58.0 -57.2 -28.3 36.6 48.9 61.0 505 564 A E H 34 S+ 0 0 162 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.2 0.830 120.4 26.1 -72.8 -29.3 36.3 50.9 57.8 506 565 A I H S+ 0 0 80 -4,-0.5 4,-3.0 1,-0.2 -1,-0.2 0.916 115.0 53.6 -61.1 -46.8 29.6 51.7 60.9 509 568 A P H > S+ 0 0 20 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.848 109.6 51.3 -56.9 -35.5 28.5 52.3 57.3 510 569 A V H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.928 110.8 45.8 -67.9 -46.2 27.1 48.8 57.3 511 570 A I H X S+ 0 0 0 -4,-2.1 4,-3.2 -5,-0.2 5,-0.3 0.925 112.0 53.3 -62.0 -42.7 25.1 49.4 60.5 512 571 A D H X S+ 0 0 61 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.935 110.2 46.0 -57.7 -51.0 23.9 52.8 59.1 513 572 A A H X S+ 0 0 2 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.835 115.1 47.1 -63.3 -33.8 22.6 51.3 55.9 514 573 A I H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 5,-0.2 0.940 112.2 47.6 -75.2 -44.1 20.9 48.4 57.7 515 574 A A H X>S+ 0 0 8 -4,-3.2 5,-2.0 1,-0.2 4,-1.6 0.851 114.0 51.5 -60.6 -34.3 19.2 50.6 60.4 516 575 A E H <5S+ 0 0 108 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.920 108.2 49.8 -67.2 -47.4 18.2 52.8 57.4 517 576 A Y H <5S+ 0 0 70 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.809 118.8 38.5 -64.4 -31.1 16.7 49.9 55.5 518 577 A F H <5S- 0 0 46 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.661 103.6-125.3 -93.8 -18.5 14.7 48.7 58.6 519 578 A G T <5 - 0 0 59 -4,-1.6 -3,-0.2 -5,-0.2 -4,-0.1 0.883 41.5-172.3 73.7 37.2 13.7 52.1 59.9 520 579 A W < - 0 0 48 -5,-2.0 -1,-0.1 -6,-0.2 2,-0.1 -0.246 22.5-117.8 -56.5 146.1 15.2 51.4 63.3 521 580 A T > - 0 0 86 1,-0.1 4,-2.5 0, 0.0 5,-0.2 -0.355 30.9-107.4 -63.9 164.1 14.7 53.7 66.2 522 581 A E H > S+ 0 0 142 2,-0.2 4,-1.0 1,-0.2 -1,-0.1 0.672 123.7 58.3 -66.6 -17.9 17.8 55.3 67.7 523 582 A E H > S+ 0 0 112 2,-0.2 4,-1.8 3,-0.1 -1,-0.2 0.952 109.1 41.1 -75.0 -52.7 17.1 52.9 70.6 524 583 A E H > S+ 0 0 66 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.923 112.9 53.3 -61.4 -47.8 17.3 49.8 68.4 525 584 A K H X S+ 0 0 42 -4,-2.5 4,-2.1 1,-0.3 -1,-0.2 0.864 110.7 48.6 -58.1 -35.6 20.3 51.0 66.4 526 585 A A H X S+ 0 0 49 -4,-1.0 4,-2.4 2,-0.2 -1,-0.3 0.843 112.0 48.7 -72.0 -34.4 22.1 51.6 69.6 527 586 A Q H X S+ 0 0 93 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.931 113.0 47.1 -70.8 -44.2 21.2 48.1 70.9 528 587 A Q H X S+ 0 0 35 -4,-3.3 4,-2.4 2,-0.2 -2,-0.2 0.892 113.0 49.9 -62.4 -40.9 22.3 46.5 67.6 529 588 A T H X S+ 0 0 30 -4,-2.1 4,-2.3 -5,-0.3 5,-0.2 0.951 109.6 49.9 -63.5 -49.9 25.5 48.5 67.7 530 589 A K H X S+ 0 0 156 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.890 112.6 49.0 -56.5 -40.5 26.3 47.5 71.3 531 590 A R H X S+ 0 0 132 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.911 107.7 52.2 -67.0 -43.3 25.6 43.9 70.4 532 591 A L H X S+ 0 0 4 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.931 108.1 52.7 -58.3 -45.2 27.8 43.9 67.3 533 592 A E H X S+ 0 0 72 -4,-2.3 4,-3.1 1,-0.2 -1,-0.2 0.863 106.4 53.9 -58.8 -37.0 30.7 45.3 69.4 534 593 A A H X S+ 0 0 53 -4,-1.4 4,-2.0 1,-0.2 -1,-0.2 0.935 109.6 47.2 -63.7 -45.3 30.2 42.4 71.8 535 594 A L H X S+ 0 0 25 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.867 114.7 46.7 -64.0 -35.9 30.5 39.9 69.0 536 595 A I H X S+ 0 0 5 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.933 111.2 50.0 -72.5 -45.2 33.6 41.7 67.6 537 596 A A H <>S+ 0 0 35 -4,-3.1 5,-2.1 1,-0.2 4,-0.5 0.846 111.0 52.8 -61.0 -33.4 35.2 41.9 71.0 538 597 A E H ><5S+ 0 0 57 -4,-2.0 3,-1.3 -5,-0.2 -2,-0.2 0.970 112.2 41.2 -67.9 -53.1 34.5 38.3 71.5 539 598 A S H 3<5S+ 0 0 6 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.859 112.6 56.3 -62.1 -36.2 36.2 37.2 68.2 540 599 A D T 3<5S- 0 0 21 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.613 104.4-134.8 -69.0 -14.3 39.0 39.6 68.9 541 600 A L T <>5 + 0 0 10 -3,-1.3 4,-1.8 -4,-0.5 -3,-0.2 0.886 44.5 162.2 57.2 42.2 39.6 37.8 72.2 542 601 A R T 4X + 0 0 104 -5,-2.1 5,-3.0 1,-0.2 4,-0.2 0.865 69.3 52.9 -59.8 -36.5 39.8 41.2 73.9 543 602 A E T >45S+ 0 0 173 -6,-0.4 3,-1.2 1,-0.2 -1,-0.2 0.907 109.2 47.4 -68.9 -39.9 39.2 39.7 77.3 544 603 A L T 345S+ 0 0 50 1,-0.3 -1,-0.2 2,-0.1 -2,-0.2 0.815 109.7 54.9 -70.0 -27.2 42.0 37.1 76.9 545 604 A K T 3<5S- 0 0 64 -4,-1.8 -1,-0.3 2,-0.1 -2,-0.2 0.476 118.4-115.7 -82.7 -0.3 44.3 39.9 75.7 546 605 A G T < 5 0 0 71 -3,-1.2 -3,-0.2 1,-0.3 -2,-0.1 0.695 360.0 360.0 75.2 20.5 43.5 41.8 78.9 547 606 A E < 0 0 128 -5,-3.0 -1,-0.3 -6,-0.2 -2,-0.1 -0.824 360.0 360.0 -99.0 360.0 41.8 44.6 77.1