==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 17-JAN-13 4IT1 . COMPND 2 MOLECULE: PUTATIVE GLUCARATE DEHYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS FLUORESCENS; . AUTHOR Y.PATSKOVSKY,R.TORO,R.BHOSLE,B.HILLERICH,R.D.SEIDEL,E.WASHIN . 1704 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 57498.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1108 65.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 111 6.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 137 8.0 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 . 4 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 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 . 77 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 156 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 530 31.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 1.2 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 4 2 2 0 0 0 4 11 1 8 11 5 0 0 0 0 1 3 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 9 12 3 9 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 . 19 1 4 0 0 4 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 12 0 0 0 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 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 Q 0 0 158 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 96.1 54.2 -34.9 29.5 2 0 A S - 0 0 32 1,-0.1 2,-0.2 69,-0.0 554,-0.0 -0.434 360.0-111.2 -74.4 142.3 52.4 -32.6 31.9 3 1 A M - 0 0 16 -2,-0.1 2,-0.3 37,-0.0 70,-0.2 -0.519 44.7-163.5 -69.0 140.6 54.3 -30.5 34.5 4 2 A K - 0 0 91 -2,-0.2 37,-2.3 67,-0.2 2,-0.3 -0.943 21.8-109.8-139.8 150.3 53.5 -31.7 38.1 5 3 A I E +A 40 0A 2 65,-1.5 64,-3.6 -2,-0.3 35,-0.3 -0.599 31.4 167.8 -79.3 134.6 53.7 -30.8 41.8 6 4 A T E + 0 0 65 33,-2.6 2,-0.4 -2,-0.3 34,-0.2 0.668 60.9 37.5-113.6 -31.3 56.2 -32.6 43.9 7 5 A R E -A 39 0A 106 32,-1.6 32,-1.8 60,-0.1 2,-0.4 -0.978 50.7-177.9-132.9 139.2 56.4 -30.7 47.1 8 6 A V E -A 38 0A 13 -2,-0.4 2,-0.4 30,-0.2 30,-0.2 -0.991 5.4-176.4-136.3 131.6 53.9 -28.8 49.4 9 7 A T E -A 37 0A 35 28,-2.5 28,-1.7 -2,-0.4 2,-0.5 -0.889 4.9-173.2-134.9 103.5 54.9 -26.9 52.6 10 8 A V E -A 36 0A 16 -2,-0.4 26,-0.2 26,-0.2 -2,-0.0 -0.838 13.5-175.3 -94.7 127.5 52.3 -25.3 54.9 11 9 A T E -A 35 0A 15 24,-2.3 24,-2.4 -2,-0.5 2,-0.1 -0.938 15.3-146.2-136.4 108.3 54.0 -23.3 57.6 12 10 A P E +A 34 0A 15 0, 0.0 2,-0.3 0, 0.0 22,-0.2 -0.465 25.7 174.7 -72.2 145.1 52.2 -21.5 60.5 13 11 A I E -A 33 0A 0 20,-2.6 20,-1.2 -2,-0.1 2,-0.3 -0.949 20.4-150.1-145.7 163.3 53.7 -18.2 61.8 14 12 A A E -A 32 0A 0 380,-1.7 2,-0.3 -2,-0.3 18,-0.2 -1.000 10.8-171.0-139.9 144.1 53.1 -15.3 64.3 15 13 A F E -A 31 0A 1 16,-1.9 16,-1.4 -2,-0.3 -2,-0.0 -0.960 37.2 -88.2-134.4 149.8 54.0 -11.7 64.2 16 14 A R E -A 30 0A 50 -2,-0.3 340,-0.4 14,-0.2 14,-0.2 -0.272 43.4-166.7 -55.2 133.3 53.9 -8.8 66.7 17 15 A D - 0 0 3 12,-2.2 338,-0.1 338,-0.1 148,-0.1 -0.996 18.1-121.7-126.5 131.1 50.5 -7.0 66.5 18 16 A P - 0 0 6 0, 0.0 2,-2.9 0, 0.0 9,-0.1 -0.193 38.9 -91.8 -63.3 161.4 49.9 -3.6 68.1 19 17 A P + 0 0 0 0, 0.0 135,-1.4 0, 0.0 2,-0.4 -0.336 62.4 178.0 -68.4 60.1 47.1 -3.1 70.8 20 18 A L B -C 153 0B 0 -2,-2.9 7,-2.5 133,-0.2 2,-0.3 -0.550 19.0-141.3 -76.1 124.8 44.7 -2.2 67.9 21 19 A L B +E 26 0C 4 131,-2.5 131,-0.4 -2,-0.4 5,-0.2 -0.630 29.1 159.3 -86.1 141.0 41.2 -1.4 69.1 22 20 A N - 0 0 12 3,-2.2 175,-0.1 -2,-0.3 129,-0.0 -0.821 54.7 -79.4-144.5-172.5 38.1 -2.5 67.1 23 21 A A S S+ 0 0 3 173,-0.3 399,-0.2 -2,-0.2 174,-0.1 0.914 126.4 43.9 -58.2 -47.8 34.3 -3.1 67.4 24 22 A S S S- 0 0 20 397,-0.1 2,-0.2 75,-0.1 -1,-0.2 0.759 126.1 -87.0 -70.5 -32.8 34.8 -6.6 69.0 25 23 A G - 0 0 0 396,-0.1 -3,-2.2 387,-0.1 2,-0.3 -0.716 66.1 -35.4 165.8-107.5 37.5 -5.6 71.4 26 24 A I B -E 21 0C 0 382,-1.3 -5,-0.2 -5,-0.2 386,-0.2 -0.992 53.3 -99.0-156.4 144.4 41.3 -5.4 71.0 27 25 A H - 0 0 7 -7,-2.5 4,-0.1 -2,-0.3 -10,-0.0 -0.237 35.5-118.3 -62.8 148.2 44.1 -7.2 69.2 28 26 A E - 0 0 21 2,-0.3 -8,-0.2 1,-0.1 -1,-0.1 -0.523 32.9-105.0 -77.5 154.1 46.3 -9.8 70.9 29 27 A P S S+ 0 0 18 0, 0.0 -12,-2.2 0, 0.0 2,-0.3 0.665 108.2 43.4 -58.4 -13.6 50.1 -9.0 71.1 30 28 A F E -A 16 0A 21 -14,-0.2 -2,-0.3 371,-0.1 2,-0.3 -0.928 67.6-162.4-129.5 158.3 50.4 -11.6 68.3 31 29 A A E -A 15 0A 13 -16,-1.4 -16,-1.9 -2,-0.3 2,-0.2 -0.992 17.6-130.8-139.1 144.3 48.5 -12.5 65.2 32 30 A L E +A 14 0A 22 -2,-0.3 20,-0.4 -18,-0.2 2,-0.3 -0.483 27.5 159.2-101.3 164.9 48.6 -15.8 63.2 33 31 A R E -A 13 0A 5 -20,-1.2 -20,-2.6 19,-0.4 2,-0.4 -0.946 27.5-130.1-173.0 155.6 49.0 -16.6 59.5 34 32 A S E -AB 12 50A 0 16,-1.4 16,-2.5 -2,-0.3 2,-0.5 -0.980 12.3-151.1-125.6 140.9 50.0 -19.6 57.3 35 33 A I E -AB 11 49A 3 -24,-2.4 -24,-2.3 -2,-0.4 2,-0.5 -0.925 10.0-154.6-113.3 128.1 52.6 -19.7 54.5 36 34 A I E -AB 10 48A 0 12,-2.5 12,-2.1 -2,-0.5 2,-0.4 -0.884 7.5-170.3-107.4 129.9 52.3 -22.1 51.6 37 35 A E E -AB 9 47A 10 -28,-1.7 -28,-2.5 -2,-0.5 2,-0.4 -0.981 4.2-174.6-115.8 128.4 55.2 -23.4 49.4 38 36 A I E -AB 8 46A 1 8,-2.6 8,-1.2 -2,-0.4 2,-0.3 -0.936 1.7-172.2-117.0 145.7 54.6 -25.3 46.2 39 37 A E E -AB 7 45A 57 -32,-1.8 -33,-2.6 -2,-0.4 -32,-1.6 -0.993 8.0-149.6-137.7 146.2 57.3 -26.9 44.1 40 38 A S E > -A 5 0A 2 4,-1.7 3,-1.8 -2,-0.3 -35,-0.2 -0.657 33.5-103.1-110.8 165.8 57.2 -28.6 40.7 41 39 A D T 3 S+ 0 0 95 -37,-2.3 -36,-0.1 1,-0.3 -1,-0.0 0.689 121.3 52.9 -59.9 -21.9 59.2 -31.4 39.1 42 40 A N T 3 S- 0 0 65 -38,-0.2 -1,-0.3 2,-0.1 -39,-0.0 0.052 122.7-100.7-104.8 21.8 61.2 -28.8 37.1 43 41 A G S < S+ 0 0 50 -3,-1.8 2,-0.3 1,-0.2 -2,-0.1 0.520 72.5 141.4 78.8 8.5 62.2 -26.7 40.1 44 42 A Y - 0 0 91 1,-0.0 -4,-1.7 2,-0.0 2,-0.5 -0.648 37.6-147.6 -85.8 143.1 59.7 -23.8 39.9 45 43 A I E -B 39 0A 66 -2,-0.3 2,-0.4 -6,-0.2 -6,-0.2 -0.945 10.1-167.0-119.9 121.0 58.2 -22.5 43.2 46 44 A G E -B 38 0A 0 -8,-1.2 -8,-2.6 -2,-0.5 2,-0.3 -0.884 14.7-149.5-104.6 136.6 54.7 -21.1 43.8 47 45 A L E -B 37 0A 3 -2,-0.4 2,-0.3 71,-0.2 75,-0.3 -0.739 14.2-179.0-110.4 153.0 53.9 -19.1 47.0 48 46 A G E -B 36 0A 0 -12,-2.1 -12,-2.5 -2,-0.3 2,-0.3 -0.978 11.4-164.2-144.9 156.2 50.8 -18.6 49.2 49 47 A E E +B 35 0A 8 -2,-0.3 -14,-0.2 -14,-0.2 2,-0.2 -0.993 26.1 143.8-140.7 135.5 49.6 -16.8 52.3 50 48 A S E -B 34 0A 1 -16,-2.5 -16,-1.4 -2,-0.3 2,-0.2 -0.689 48.1 -35.8-149.4-160.0 46.4 -17.5 54.3 51 49 A Y - 0 0 18 -18,-0.2 -18,-0.2 -2,-0.2 -1,-0.1 -0.507 37.9-160.3 -78.9 141.6 44.6 -17.7 57.7 52 50 A G + 0 0 4 -20,-0.4 -19,-0.4 -2,-0.2 -1,-0.1 0.285 46.8 120.2-109.9 7.9 46.6 -19.0 60.6 53 51 A D S >> S- 0 0 43 -21,-0.2 4,-2.2 1,-0.1 3,-0.7 -0.402 76.5-105.8 -70.2 152.8 43.9 -20.1 63.1 54 52 A A H 3> S+ 0 0 39 350,-3.4 4,-2.3 1,-0.2 5,-0.2 0.862 116.5 49.2 -49.2 -50.8 43.9 -23.7 64.2 55 53 A P H 3> S+ 0 0 36 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.811 111.6 49.9 -64.7 -30.8 40.8 -24.9 62.2 56 54 A A H <> S+ 0 0 20 -3,-0.7 4,-2.9 2,-0.2 3,-0.5 0.958 110.5 49.4 -68.2 -52.6 42.1 -23.3 59.0 57 55 A L H X S+ 0 0 13 -4,-2.2 4,-3.6 1,-0.2 5,-0.2 0.915 107.2 55.9 -46.4 -52.2 45.6 -24.9 59.3 58 56 A A H X S+ 0 0 37 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.850 111.0 44.4 -52.9 -40.5 43.9 -28.3 59.9 59 57 A I H X S+ 0 0 17 -4,-1.2 4,-2.2 -3,-0.5 -1,-0.2 0.936 113.2 49.4 -70.1 -49.4 42.1 -27.9 56.6 60 58 A Q H X S+ 0 0 4 -4,-2.9 4,-3.1 1,-0.2 -2,-0.2 0.932 112.6 49.0 -54.0 -48.9 45.2 -26.7 54.7 61 59 A Q H X S+ 0 0 112 -4,-3.6 4,-1.3 1,-0.2 -1,-0.2 0.925 109.2 52.1 -57.2 -49.9 47.2 -29.6 56.2 62 60 A Q H < S+ 0 0 88 -4,-2.0 4,-0.5 -5,-0.2 -1,-0.2 0.890 115.7 40.5 -51.9 -46.1 44.5 -32.1 55.1 63 61 A V H >X S+ 0 0 0 -4,-2.2 3,-1.7 1,-0.2 4,-0.8 0.899 101.9 71.8 -74.1 -42.2 44.4 -30.8 51.5 64 62 A Q H >X S+ 0 0 49 -4,-3.1 3,-1.3 1,-0.3 4,-0.5 0.840 95.2 52.6 -36.5 -52.8 48.3 -30.4 51.3 65 63 A S H 3< S+ 0 0 85 -4,-1.3 3,-0.4 1,-0.3 -1,-0.3 0.776 104.7 55.9 -61.6 -30.2 48.8 -34.2 51.2 66 64 A Q H <4 S+ 0 0 77 -3,-1.7 -1,-0.3 -4,-0.5 -2,-0.2 0.662 94.3 70.9 -76.9 -15.3 46.4 -34.7 48.3 67 65 A L H X< + 0 0 0 -3,-1.3 3,-1.1 -4,-0.8 -62,-0.3 0.781 65.9 109.8 -77.5 -33.6 48.2 -32.2 46.0 68 66 A I T 3< S+ 0 0 89 -4,-0.5 -62,-0.2 -3,-0.4 -61,-0.0 -0.157 84.4 14.6 -50.1 129.9 51.4 -34.1 45.2 69 67 A G T 3 S+ 0 0 42 -64,-3.6 2,-0.3 1,-0.2 -1,-0.2 0.698 96.4 127.0 80.4 23.2 51.6 -35.3 41.6 70 68 A L < - 0 0 42 -3,-1.1 -65,-1.5 -65,-0.2 -1,-0.2 -0.873 68.0-101.1-118.9 149.7 48.9 -33.2 40.1 71 69 A D > - 0 0 21 -2,-0.3 3,-1.5 -67,-0.2 -67,-0.2 -0.518 24.8-151.2 -68.7 111.3 48.7 -30.8 37.2 72 70 A P T 3 S+ 0 0 1 0, 0.0 52,-0.2 0, 0.0 -1,-0.1 0.521 95.8 59.0 -66.7 -7.0 48.9 -27.2 38.6 73 71 A F T 3 S+ 0 0 2 -70,-0.2 2,-2.3 1,-0.1 3,-0.2 0.731 84.4 85.0 -85.4 -28.8 46.8 -25.9 35.7 74 72 A N <> + 0 0 32 -3,-1.5 4,-1.6 1,-0.2 490,-0.2 -0.480 47.8 154.5 -76.2 73.9 44.0 -28.2 36.6 75 73 A L H > + 0 0 1 -2,-2.3 4,-1.9 488,-0.7 -1,-0.2 0.741 67.9 64.0 -74.0 -26.0 42.4 -25.9 39.2 76 74 A N H > S+ 0 0 23 487,-2.7 4,-2.0 -3,-0.2 -1,-0.2 0.847 103.2 49.0 -64.2 -36.0 39.0 -27.5 38.7 77 75 A Q H > S+ 0 0 59 486,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.956 108.4 53.7 -60.7 -53.7 40.6 -30.7 40.1 78 76 A L H X S+ 0 0 4 -4,-1.6 4,-2.0 1,-0.2 -2,-0.2 0.822 108.8 50.0 -50.5 -37.9 41.9 -28.6 43.0 79 77 A R H X S+ 0 0 44 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.940 108.8 49.6 -67.3 -49.2 38.4 -27.3 43.7 80 78 A R H X S+ 0 0 88 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.845 111.7 51.4 -59.5 -34.5 36.8 -30.8 43.7 81 79 A I H X S+ 0 0 23 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.932 108.3 49.0 -66.6 -49.6 39.5 -31.9 46.1 82 80 A V H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.864 111.5 51.6 -59.3 -37.0 39.0 -29.0 48.6 83 81 A Q H X S+ 0 0 87 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.907 108.9 48.8 -66.8 -43.9 35.2 -29.8 48.5 84 82 A T H X S+ 0 0 94 -4,-1.8 4,-0.9 2,-0.2 -2,-0.2 0.895 112.6 49.1 -62.1 -41.6 35.7 -33.5 49.3 85 83 A T H >< S+ 0 0 7 -4,-2.2 3,-0.6 2,-0.2 -2,-0.2 0.921 111.8 46.9 -64.7 -47.8 38.0 -32.7 52.2 86 84 A V H >< S+ 0 0 30 -4,-2.2 3,-1.2 1,-0.2 -2,-0.2 0.869 106.5 59.2 -63.6 -38.1 35.7 -30.1 53.7 87 85 A A H 3< S+ 0 0 88 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.784 101.8 56.0 -59.2 -28.9 32.7 -32.5 53.4 88 86 A A T << S+ 0 0 78 -4,-0.9 2,-0.3 -3,-0.6 -1,-0.3 -0.181 99.7 80.4 -96.2 38.6 34.7 -34.9 55.6 89 87 A H S < S- 0 0 77 -3,-1.2 3,-0.0 0, 0.0 -30,-0.0 -0.968 72.4-131.5-151.4 128.5 35.0 -32.3 58.4 90 88 A K - 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0 0 35 -6,-0.4 2,-0.8 -5,-0.2 -1,-0.2 -0.319 53.0-106.8 -69.9 147.8 24.6 7.7 51.3 267 265 A P - 0 0 45 0, 0.0 -20,-2.1 0, 0.0 2,-0.5 -0.656 40.2-163.0 -77.6 110.3 27.2 5.4 49.5 268 266 A L E -m 247 0G 0 -2,-0.8 22,-2.6 -22,-0.2 23,-1.6 -0.825 7.7-171.0-101.7 130.8 27.5 2.3 51.6 269 267 A A E -mn 248 291G 0 -22,-2.7 -20,-3.3 -2,-0.5 2,-0.3 -0.778 8.4-169.1-110.9 159.1 30.3 -0.2 51.3 270 268 A T E + n 0 292G 0 21,-1.6 23,-2.4 -2,-0.3 -22,-0.0 -1.000 39.0 166.5-147.6 147.1 30.7 -3.6 52.9 271 269 A N S S+ 0 0 14 -2,-0.3 -1,-0.1 21,-0.2 21,-0.1 -0.069 91.4 53.7-134.2 35.7 32.8 -6.5 53.7 272 270 A M S S+ 0 0 61 -171,-0.1 3,-0.2 -19,-0.0 -2,-0.1 0.635 109.6 36.1-127.8 -46.9 30.3 -8.0 56.2 273 271 A V S S+ 0 0 17 1,-0.3 2,-0.4 -20,-0.1 3,-0.1 0.590 122.6 43.4 -93.5 -12.1 27.0 -8.4 54.5 274 272 A V + 0 0 1 1,-0.1 -1,-0.3 19,-0.1 19,-0.2 -0.824 66.5 130.1-131.4 94.2 28.3 -9.3 51.0 275 273 A T S S+ 0 0 3 -2,-0.4 2,-0.3 -3,-0.2 -1,-0.1 0.347 70.2 24.5-125.5 -2.2 31.1 -11.8 51.6 276 274 A D S > S- 0 0 30 -3,-0.1 4,-1.9 1,-0.0 -1,-0.2 -0.949 88.8 -91.6-155.6 175.0 30.1 -14.6 49.1 277 275 A F H > S+ 0 0 19 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 0.808 120.5 51.1 -66.7 -31.8 28.1 -15.1 45.9 278 276 A D H > S+ 0 0 79 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.907 110.1 50.1 -70.4 -41.8 24.8 -15.9 47.6 279 277 A E H > S+ 0 0 34 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.865 106.8 56.6 -61.0 -36.7 25.0 -12.8 49.8 280 278 A F H X S+ 0 0 1 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.940 107.2 48.5 -59.0 -49.2 25.7 -10.8 46.6 281 279 A R H X S+ 0 0 73 -4,-1.8 4,-1.3 1,-0.2 -2,-0.2 0.885 113.5 46.0 -56.9 -46.6 22.4 -12.1 45.1 282 280 A R H X S+ 0 0 115 -4,-2.0 4,-1.0 2,-0.2 -1,-0.2 0.856 112.6 51.3 -70.1 -33.5 20.4 -11.3 48.2 283 281 A S H >X>S+ 0 0 3 -4,-2.5 4,-1.5 1,-0.2 5,-1.4 0.929 107.6 51.9 -66.4 -44.2 22.1 -7.8 48.4 284 282 A V H 3<5S+ 0 0 38 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.792 106.3 55.4 -64.4 -29.9 21.3 -7.0 44.8 285 283 A A H 3<5S+ 0 0 87 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.784 120.0 30.3 -71.0 -30.5 17.6 -7.9 45.5 286 284 A Q H <<5S- 0 0 64 -4,-1.0 -2,-0.2 -3,-0.7 -1,-0.2 0.481 100.6-128.0-104.0 -9.0 17.3 -5.4 48.4 287 285 A N T <5 + 0 0 30 -4,-1.5 -3,-0.2 -5,-0.1 -4,-0.1 0.920 52.7 155.1 51.3 51.0 19.9 -2.9 47.1 288 286 A S < + 0 0 0 -5,-1.4 2,-0.3 1,-0.1 -27,-0.2 0.867 56.5 27.9 -73.2 -40.8 21.7 -3.0 50.5 289 287 A V - 0 0 1 -6,-0.1 -20,-0.2 1,-0.1 -1,-0.1 -0.928 48.4-165.3-129.7 151.3 25.1 -1.9 49.4 290 288 A Q S S+ 0 0 22 -22,-2.6 28,-2.7 -2,-0.3 2,-0.4 0.542 82.2 41.0-106.7 -13.5 26.6 0.3 46.7 291 289 A I E -no 269 318G 3 -23,-1.6 -21,-1.6 26,-0.2 2,-0.5 -0.992 64.6-155.5-143.6 128.4 30.2 -0.9 47.0 292 290 A V E -no 270 319G 0 26,-2.8 28,-1.6 -2,-0.4 2,-1.0 -0.913 8.1-151.6-105.8 122.5 31.7 -4.3 47.6 293 291 A L E - o 0 320G 0 -23,-2.4 28,-0.2 -2,-0.5 -19,-0.1 -0.823 22.7-156.2 -89.1 100.1 35.1 -4.6 49.2 294 292 A A E - o 0 321G 0 26,-2.6 28,-0.9 -2,-1.0 2,-0.3 -0.247 13.4-170.3 -69.9 165.1 36.5 -7.9 47.7 295 293 A D >> - 0 0 0 26,-0.2 4,-2.0 6,-0.1 3,-0.9 -0.819 16.5-150.4-163.0 109.8 39.2 -9.9 49.5 296 294 A H H 3>>S+ 0 0 2 26,-0.3 5,-2.4 -2,-0.3 4,-0.7 0.709 89.0 71.3 -66.0 -20.1 40.8 -12.8 47.5 297 295 A H H 345S+ 0 0 1 1,-0.2 -1,-0.2 3,-0.2 -183,-0.2 0.896 115.6 17.2 -64.1 -43.7 41.4 -14.8 50.7 298 296 A Y H <45S+ 0 0 3 -3,-0.9 -2,-0.2 1,-0.1 -1,-0.2 0.637 113.1 70.1-108.5 -15.5 37.8 -15.6 51.4 299 297 A W H <5S- 0 0 3 -4,-2.0 -3,-0.1 -189,-0.1 -2,-0.1 0.608 120.8 -93.4 -76.3 -9.8 36.1 -15.0 48.1 300 298 A G T <5 - 0 0 0 -4,-0.7 4,-0.3 -5,-0.2 2,-0.2 0.645 70.0 -64.5 110.6 21.0 37.9 -18.0 46.7 301 299 A G S > S+ 0 0 0 2,-0.2 4,-1.2 -2,-0.2 -1,-0.2 0.899 128.0 45.9 -82.0 -43.2 42.1 -14.5 42.2 303 301 A R H > S+ 0 0 44 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.845 112.5 52.3 -68.9 -34.9 39.9 -15.7 39.3 304 302 A D H > S+ 0 0 20 -4,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.856 106.1 55.2 -67.0 -37.2 36.8 -15.7 41.6 305 303 A T H X S+ 0 0 1 -4,-1.3 4,-2.4 2,-0.2 -1,-0.2 0.825 106.5 50.7 -62.0 -34.2 37.6 -12.1 42.6 306 304 A Q H X S+ 0 0 45 -4,-1.2 4,-2.6 2,-0.2 -2,-0.2 0.917 108.6 51.5 -70.8 -44.9 37.6 -11.1 38.8 307 305 A T H X S+ 0 0 18 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.945 110.6 49.3 -52.6 -50.0 34.2 -12.8 38.5 308 306 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.925 109.2 51.0 -56.2 -47.9 33.1 -10.7 41.4 309 307 A A H X S+ 0 0 2 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.920 111.5 48.3 -57.0 -44.2 34.5 -7.5 39.9 310 308 A K H X S+ 0 0 57 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.851 110.8 51.5 -62.3 -37.7 32.6 -8.3 36.6 311 309 A M H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.890 108.1 50.7 -69.5 -41.1 29.4 -9.0 38.6 312 310 A C H <>S+ 0 0 0 -4,-2.7 5,-3.4 2,-0.2 4,-0.5 0.918 109.9 51.0 -59.2 -45.2 29.7 -5.7 40.5 313 311 A D H ><5S+ 0 0 89 -4,-2.2 3,-0.8 1,-0.2 -2,-0.2 0.890 109.8 51.2 -56.8 -41.2 30.1 -3.9 37.1 314 312 A T H 3<5S+ 0 0 8 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.846 115.9 39.3 -67.6 -34.8 27.0 -5.7 35.9 315 313 A F T 3<5S- 0 0 17 -4,-1.8 632,-0.5 2,-0.1 -1,-0.2 0.251 116.5-108.4-104.9 11.8 24.9 -4.7 38.8 316 314 A G T < 5 + 0 0 7 -3,-0.8 2,-0.4 -4,-0.5 -3,-0.2 0.811 69.7 141.9 72.0 33.4 26.2 -1.2 39.0 317 315 A L < - 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0 0 16 197,-2.6 4,-2.0 -2,-0.4 5,-0.1 -0.087 33.1-105.8 -61.7 173.0 2.8 -14.7 20.4 656 228 B L H > S+ 0 0 3 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.926 120.8 54.1 -69.9 -43.9 2.3 -15.3 24.1 657 229 B E H > S+ 0 0 72 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.891 113.6 42.7 -54.9 -44.6 -1.3 -16.7 23.5 658 230 B T H > S+ 0 0 7 2,-0.2 4,-2.7 194,-0.2 5,-0.2 0.894 110.2 55.9 -67.4 -42.8 0.1 -19.2 21.0 659 231 B S H X S+ 0 0 0 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.884 110.7 46.4 -58.8 -41.1 3.0 -20.0 23.3 660 232 B I H X S+ 0 0 9 -4,-2.6 4,-1.9 2,-0.2 3,-0.5 0.971 111.9 48.6 -62.0 -58.4 0.6 -20.9 26.0 661 233 B R H X S+ 0 0 109 -4,-2.2 4,-0.9 1,-0.3 -2,-0.2 0.858 113.8 48.0 -52.0 -41.2 -1.8 -23.0 23.8 662 234 B M H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -1,-0.3 0.798 106.4 56.5 -71.7 -31.8 1.3 -24.9 22.4 663 235 B A H X S+ 0 0 8 -4,-1.4 4,-1.7 -3,-0.5 -2,-0.2 0.846 103.8 55.4 -64.4 -35.5 2.6 -25.5 26.0 664 236 B E H < S+ 0 0 140 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.787 111.3 43.5 -67.3 -31.2 -0.7 -27.1 26.8 665 237 B L H < S+ 0 0 88 -4,-0.9 -2,-0.2 -5,-0.2 -1,-0.2 0.792 113.3 51.6 -82.3 -31.7 -0.3 -29.5 23.9 666 238 B L H >< S+ 0 0 0 -4,-1.9 3,-2.0 1,-0.2 -2,-0.2 0.773 78.5 173.9 -76.5 -28.7 3.4 -30.2 24.7 667 239 B G T 3< S- 0 0 35 -4,-1.7 -1,-0.2 1,-0.2 3,-0.2 -0.374 70.1 -28.3 56.9-121.3 2.9 -31.1 28.4 668 240 B D T 3 S+ 0 0 147 -2,-0.2 -1,-0.2 1,-0.1 -2,-0.1 0.065 103.2 114.5-112.9 22.6 6.2 -32.3 29.8 669 241 B D < + 0 0 33 -3,-2.0 -23,-0.4 -24,-0.1 2,-0.3 0.738 61.4 78.0 -65.2 -25.8 7.7 -33.7 26.6 670 242 B L - 0 0 24 -3,-0.2 -23,-0.2 1,-0.1 3,-0.1 -0.634 63.7-152.0 -94.3 143.1 10.5 -31.1 26.4 671 243 B Q S S- 0 0 55 -25,-2.6 2,-0.3 1,-0.3 -24,-0.2 0.897 92.7 -10.0 -65.7 -46.6 13.8 -30.8 28.3 672 244 B Y E -b 647 0O 1 -26,-1.0 -24,-1.0 -3,-0.1 2,-0.7 -0.992 60.9-128.3-155.2 161.7 13.3 -27.1 27.7 673 245 B Y E -bc 648 694O 1 20,-2.3 22,-1.4 -2,-0.3 2,-0.6 -0.882 32.5-155.4-113.1 99.2 11.2 -24.6 25.8 674 246 B E E - c 0 695O 0 -26,-2.0 -23,-0.5 -2,-0.7 -22,-0.3 -0.709 56.3 -37.3 -97.3 117.2 13.6 -22.2 24.0 675 247 B D S S+ 0 0 1 20,-2.4 -23,-3.9 -2,-0.6 -22,-0.4 0.875 71.8 157.6 42.9 56.3 12.5 -18.7 23.0 676 248 B P + 0 0 0 0, 0.0 -22,-1.9 0, 0.0 -1,-0.1 0.901 67.9 25.4 -71.0 -37.3 8.9 -19.4 22.1 677 249 B T S S- 0 0 1 -24,-0.2 -22,-0.1 2,-0.1 -24,-0.1 -0.922 88.2-109.1-129.8 148.2 7.8 -15.8 22.6 678 250 B P S S+ 0 0 14 0, 0.0 4,-0.4 0, 0.0 -22,-0.0 -0.429 70.4 32.9 -82.3 153.8 9.7 -12.5 22.3 679 251 B G S > S- 0 0 7 3,-0.2 4,-2.0 2,-0.1 5,-0.2 0.308 79.1 -98.1 90.9 146.3 10.7 -10.2 25.2 680 252 B L H > S+ 0 0 7 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.876 122.4 51.3 -62.4 -38.9 11.7 -10.6 28.8 681 253 B E H > S+ 0 0 43 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.890 109.8 47.9 -68.4 -41.7 8.1 -9.8 29.9 682 254 B G H > S+ 0 0 11 -4,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.902 112.9 48.6 -66.3 -42.8 6.5 -12.3 27.6 683 255 B M H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.954 111.2 49.9 -60.4 -51.4 8.9 -15.0 28.7 684 256 B A H X S+ 0 0 15 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.884 112.4 47.7 -55.6 -41.2 8.3 -14.3 32.4 685 257 B E H X S+ 0 0 23 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.920 111.0 52.0 -66.7 -42.2 4.6 -14.4 31.9 686 258 B L H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 5,-0.3 0.910 111.6 45.4 -59.5 -45.0 4.8 -17.6 29.9 687 259 B H H X S+ 0 0 52 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.910 112.1 51.6 -65.6 -43.8 6.9 -19.3 32.7 688 260 B K H < S+ 0 0 170 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.840 115.9 41.8 -58.6 -36.5 4.6 -18.1 35.5 689 261 B R H < S+ 0 0 121 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.734 128.2 25.1 -88.7 -23.8 1.5 -19.4 33.6 690 262 B T H < S- 0 0 40 -4,-1.7 -3,-0.2 -5,-0.2 -2,-0.2 0.627 85.3-136.6-117.4 -21.3 2.9 -22.8 32.5 691 263 B G < + 0 0 52 -4,-2.6 -4,-0.1 -5,-0.3 -3,-0.1 0.345 54.1 143.5 78.3 -6.6 5.6 -23.7 34.9 692 264 B L - 0 0 18 -6,-0.3 2,-0.5 1,-0.1 -1,-0.2 -0.362 58.6-111.2 -69.6 141.4 7.8 -24.9 31.9 693 265 B P - 0 0 49 0, 0.0 -20,-2.3 0, 0.0 2,-0.3 -0.618 37.8-153.1 -73.2 120.1 11.6 -24.3 32.1 694 266 B L E -c 673 0O 0 -2,-0.5 22,-2.7 -22,-0.2 23,-2.3 -0.746 10.7-166.4 -98.0 143.0 12.4 -21.7 29.5 695 267 B A E -cd 674 717O 0 -22,-1.4 -20,-2.4 -2,-0.3 2,-0.3 -0.832 9.3-175.1-117.2 160.1 15.8 -21.2 27.7 696 268 B T E + d 0 718O 0 21,-1.1 23,-2.8 -2,-0.3 52,-0.1 -0.995 35.7 170.6-154.0 147.8 17.0 -18.3 25.6 697 269 B N S S+ 0 0 11 -2,-0.3 -1,-0.1 21,-0.2 21,-0.1 0.176 91.5 53.2-126.3 9.7 19.7 -17.0 23.4 698 270 B M S S+ 0 0 43 -19,-0.0 3,-0.2 3,-0.0 -2,-0.1 0.700 109.2 38.1-115.9 -32.1 17.7 -14.0 22.3 699 271 B V S S+ 0 0 19 1,-0.3 2,-0.4 -20,-0.1 3,-0.1 0.557 121.7 44.5-101.9 -11.4 16.5 -12.2 25.4 700 272 B V + 0 0 0 1,-0.1 -1,-0.3 19,-0.1 19,-0.2 -0.886 66.7 132.6-129.7 98.8 19.7 -12.8 27.4 701 273 B T + 0 0 12 -2,-0.4 2,-0.3 -3,-0.2 -1,-0.1 0.399 69.6 22.2-126.6 -8.1 22.6 -12.0 25.0 702 274 B D S > S- 0 0 49 -3,-0.1 4,-1.4 1,-0.0 -1,-0.2 -0.907 88.5 -91.7-151.7 178.2 24.7 -9.8 27.3 703 275 B F H > S+ 0 0 19 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.826 120.0 52.1 -70.8 -34.3 25.4 -9.1 30.9 704 276 B D H > S+ 0 0 72 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.869 109.2 51.0 -67.5 -36.9 22.9 -6.2 31.3 705 277 B E H > S+ 0 0 39 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.834 107.7 54.2 -67.1 -33.1 20.2 -8.3 29.8 706 278 B F H X S+ 0 0 0 -4,-1.4 4,-2.7 2,-0.2 5,-0.2 0.946 107.0 50.3 -63.5 -51.3 21.1 -11.0 32.3 707 279 B R H X S+ 0 0 49 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.897 113.6 45.9 -49.9 -44.8 20.6 -8.4 35.1 708 280 B R H X S+ 0 0 92 -4,-1.9 4,-0.7 2,-0.2 -1,-0.2 0.845 111.8 50.7 -74.2 -33.0 17.2 -7.5 33.7 709 281 B S H >X>S+ 0 0 2 -4,-2.2 4,-1.9 1,-0.2 3,-1.4 0.953 106.9 53.7 -66.1 -52.4 16.1 -11.2 33.2 710 282 B V H 3<5S+ 0 0 27 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.822 105.3 55.2 -49.7 -38.3 17.1 -12.1 36.8 711 283 B A H 3<5S+ 0 0 83 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.757 118.8 33.0 -70.5 -24.2 14.9 -9.2 38.1 712 284 B Q H <<5S- 0 0 64 -3,-1.4 -2,-0.2 -4,-0.7 -1,-0.2 0.566 100.4-127.5-104.6 -11.7 11.8 -10.6 36.2 713 285 B N T <5 + 0 0 115 -4,-1.9 -3,-0.2 -5,-0.1 -26,-0.1 0.936 54.5 153.7 56.8 49.7 12.6 -14.4 36.4 714 286 B S < + 0 0 0 -5,-1.2 2,-0.3 1,-0.1 -27,-0.2 0.853 56.3 22.8 -76.2 -40.7 12.1 -14.5 32.6 715 287 B V - 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