==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 26-JUN-98 3GSB . COMPND 2 MOLECULE: PROTEIN (GLUTAMATE SEMIALDEHYDE . SOURCE 2 ORGANISM_SCIENTIFIC: SYNECHOCOCCUS SP.; . AUTHOR M.HENNIG,J.N.JANSONIUS . 854 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26433.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 604 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 53 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 69 8.1 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 . 6 0.7 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 . 7 0.8 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 . 44 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 123 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 266 31.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.5 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 7 1 1 0 0 2 1 2 2 4 3 2 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 3 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 0 PARALLEL BRIDGES PER LADDER . 4 2 2 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 2 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 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 7 A F 0 0 109 0, 0.0 2,-0.4 0, 0.0 388,-0.1 0.000 360.0 360.0 360.0 106.9 15.7 49.2 -37.8 2 8 A K + 0 0 127 48,-0.1 50,-0.2 1,-0.1 48,-0.1 -0.778 360.0 167.4-100.8 140.9 17.5 48.6 -34.5 3 9 A T > + 0 0 22 -2,-0.4 4,-1.9 2,-0.1 34,-0.1 -0.095 35.9 127.0-137.4 32.4 18.0 45.1 -32.9 4 10 A I H > S+ 0 0 95 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.862 75.9 47.2 -59.9 -43.0 20.6 46.1 -30.3 5 11 A K H > S+ 0 0 88 2,-0.2 4,-2.2 1,-0.2 5,-0.3 0.967 111.7 48.2 -66.8 -51.8 18.6 44.6 -27.4 6 12 A S H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.871 112.8 55.4 -56.2 -30.7 17.9 41.3 -29.2 7 13 A D H X S+ 0 0 58 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.912 107.8 42.3 -67.9 -51.0 21.6 41.4 -30.0 8 14 A E H X S+ 0 0 110 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.915 116.6 49.5 -63.4 -45.7 23.0 41.7 -26.4 9 15 A I H X S+ 0 0 31 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.890 111.2 48.3 -61.0 -43.5 20.6 39.2 -25.0 10 16 A F H X S+ 0 0 12 -4,-1.9 4,-1.4 -5,-0.3 -1,-0.2 0.888 109.1 53.8 -67.0 -37.1 21.3 36.6 -27.7 11 17 A A H X S+ 0 0 47 -4,-1.9 4,-0.6 2,-0.2 3,-0.4 0.933 110.9 45.9 -61.3 -46.6 25.0 37.0 -27.2 12 18 A A H >X S+ 0 0 47 -4,-2.1 3,-1.8 1,-0.2 4,-0.5 0.949 107.0 59.5 -61.7 -45.3 24.7 36.3 -23.5 13 19 A A H >X S+ 0 0 3 -4,-2.4 4,-2.8 1,-0.3 3,-1.4 0.815 95.0 64.4 -54.0 -33.6 22.4 33.3 -24.2 14 20 A Q H 3< S+ 0 0 78 -4,-1.4 5,-0.5 -3,-0.4 -1,-0.3 0.762 100.5 49.5 -65.8 -24.6 25.1 31.6 -26.3 15 21 A K H << S+ 0 0 155 -3,-1.8 -1,-0.3 -4,-0.6 -2,-0.2 0.551 119.1 41.1 -88.2 -5.9 27.3 31.2 -23.3 16 22 A L H << S+ 0 0 20 -3,-1.4 523,-1.9 -4,-0.5 -2,-0.2 0.723 120.4 22.5-110.4 -38.1 24.4 29.7 -21.3 17 23 A M S >< S- 0 0 1 -4,-2.8 3,-2.5 521,-0.2 2,-0.6 -0.955 98.4 -80.4-132.0 155.8 22.5 27.4 -23.6 18 24 A P G > S- 0 0 0 0, 0.0 3,-0.8 0, 0.0 701,-0.3 -0.380 116.7 -12.4 -58.7 101.7 23.6 25.6 -26.8 19 25 A G G 3 S- 0 0 8 -2,-0.6 -5,-0.2 -5,-0.5 -4,-0.1 0.722 114.5 -81.7 78.8 19.5 23.4 28.3 -29.5 20 26 A G G < S+ 0 0 2 -3,-2.5 2,-0.3 -7,-0.6 -1,-0.2 0.683 103.8 100.4 60.2 20.9 21.5 30.6 -27.2 21 27 A V < - 0 0 0 -3,-0.8 -1,-0.2 -8,-0.1 709,-0.1 -0.963 68.9-141.0-137.5 154.6 18.1 28.9 -27.8 22 28 A S S S+ 0 0 0 -2,-0.3 708,-0.1 1,-0.2 -1,-0.1 0.589 97.8 26.2 -85.4 -5.8 15.8 26.4 -26.1 23 29 A S S > S- 0 0 4 702,-0.1 3,-1.9 706,-0.1 -1,-0.2 -0.959 78.6-123.3-158.1 135.9 15.0 24.9 -29.6 24 30 A P G > S+ 0 0 2 0, 0.0 3,-1.1 0, 0.0 5,-0.2 0.688 106.4 62.2 -49.5 -30.8 17.0 24.7 -32.9 25 31 A V G 3 S+ 0 0 19 1,-0.2 700,-0.0 3,-0.1 132,-0.0 0.707 90.5 65.9 -73.5 -22.0 14.2 26.4 -35.0 26 32 A R G < S+ 0 0 9 -3,-1.9 2,-0.5 369,-0.1 -1,-0.2 0.458 83.1 99.3 -76.2 -4.4 14.5 29.6 -33.0 27 33 A A < - 0 0 7 -3,-1.1 3,-0.4 -4,-0.2 4,-0.2 -0.759 67.0-152.7 -87.7 126.7 17.9 30.0 -34.5 28 34 A F + 0 0 5 -2,-0.5 4,-0.1 1,-0.2 -1,-0.1 0.096 56.2 130.4 -85.4 26.5 18.2 32.3 -37.5 29 35 A K S S+ 0 0 116 -5,-0.2 -1,-0.2 1,-0.2 4,-0.1 0.620 78.4 25.6 -55.1 -25.2 21.1 30.1 -38.5 30 36 A S S S+ 0 0 53 -3,-0.4 -1,-0.2 366,-0.3 -2,-0.1 0.672 114.1 63.3-110.2 -31.2 19.9 29.6 -42.1 31 37 A V S S- 0 0 8 365,-0.4 -2,-0.2 -4,-0.2 354,-0.1 0.182 120.2 -99.1 -80.3 17.3 17.8 32.7 -42.5 32 38 A G S S+ 0 0 45 1,-0.2 2,-0.3 -4,-0.1 -3,-0.2 0.971 75.2 0.1 67.8 101.5 21.0 34.7 -42.1 33 39 A G S S- 0 0 50 -4,-0.1 -5,-0.2 -5,-0.1 -1,-0.2 -0.717 94.4 -21.3 104.6-154.2 22.1 36.3 -38.9 34 40 A Q - 0 0 100 -2,-0.3 -27,-0.1 1,-0.1 -7,-0.1 -0.745 57.0-111.2-110.2 150.5 20.6 36.6 -35.4 35 41 A P - 0 0 4 0, 0.0 2,-0.5 0, 0.0 -25,-0.1 0.127 26.8-106.8 -64.3 177.7 17.1 36.2 -33.9 36 42 A I - 0 0 1 -10,-0.1 2,-0.5 -26,-0.0 -33,-0.0 -0.949 21.8-139.9-115.8 117.5 14.6 38.5 -32.3 37 43 A V - 0 0 2 -2,-0.5 12,-2.7 480,-0.1 13,-0.3 -0.685 25.0-143.3 -77.8 122.8 14.1 38.5 -28.5 38 44 A F E -A 48 0A 3 480,-2.0 482,-0.5 -2,-0.5 10,-0.3 -0.478 19.2-171.5 -82.0 162.6 10.3 38.9 -27.9 39 45 A D E - 0 0 51 8,-3.0 2,-0.3 1,-0.6 9,-0.2 0.694 65.9 -21.4-117.8 -49.8 8.9 40.9 -25.0 40 46 A R E -A 47 0A 98 7,-1.1 7,-2.4 2,-0.0 -1,-0.6 -0.947 54.0-148.4-156.2 166.9 5.1 40.2 -25.2 41 47 A V E +A 46 0A 1 470,-1.4 2,-0.3 -2,-0.3 5,-0.2 -0.989 15.6 172.6-146.1 134.2 2.5 39.1 -27.7 42 48 A K E > -A 45 0A 92 3,-1.6 3,-2.6 -2,-0.3 27,-0.2 -0.999 58.0 -30.7-147.3 139.2 -1.2 40.0 -28.0 43 49 A D B 3 S-D 68 0B 53 25,-1.9 25,-2.4 -2,-0.3 365,-0.1 -0.309 127.2 -22.2 54.3-130.4 -3.8 39.2 -30.7 44 50 A A T 3 S+ 0 0 1 363,-0.5 12,-3.6 23,-0.2 -1,-0.3 0.357 123.2 89.6 -91.7 11.0 -2.0 38.9 -34.1 45 51 A Y E < -AB 42 55A 40 -3,-2.6 -3,-1.6 10,-0.2 2,-0.3 -0.702 49.8-169.5-113.8 164.2 0.9 41.0 -32.9 46 52 A A E -AB 41 54A 0 8,-1.8 8,-1.8 -2,-0.2 2,-0.5 -0.992 9.6-152.7-150.8 135.2 4.3 40.6 -31.2 47 53 A W E -AB 40 53A 50 -7,-2.4 -8,-3.0 -2,-0.3 -7,-1.1 -0.915 13.5-145.8-113.0 124.7 6.7 43.1 -29.8 48 54 A D E > -A 38 0A 4 4,-2.0 3,-1.5 -2,-0.5 -10,-0.3 -0.222 37.6 -92.1 -79.4-179.4 10.4 42.5 -29.6 49 55 A V T 3 S+ 0 0 34 -12,-2.7 -11,-0.1 1,-0.3 -1,-0.1 0.520 123.4 55.0 -72.7 -1.7 12.8 43.7 -26.9 50 56 A D T 3 S- 0 0 21 -13,-0.3 -1,-0.3 2,-0.2 -48,-0.1 0.352 118.5-101.5-110.3 -1.3 13.5 46.9 -28.9 51 57 A G S < S+ 0 0 55 -3,-1.5 -2,-0.1 1,-0.3 2,-0.0 0.146 74.3 138.3 103.0 -20.5 10.0 48.1 -29.4 52 58 A N - 0 0 39 -50,-0.2 -4,-2.0 -5,-0.1 -1,-0.3 -0.341 42.0-147.7 -61.2 136.8 9.4 47.0 -33.0 53 59 A R E -B 47 0A 119 -6,-0.2 2,-0.3 -3,-0.1 -6,-0.2 -0.797 15.8-170.6-108.4 149.3 6.0 45.6 -33.5 54 60 A Y E -B 46 0A 0 -8,-1.8 -8,-1.8 -2,-0.3 2,-0.6 -0.925 28.6-121.9-137.3 160.7 5.2 42.8 -35.9 55 61 A I E -Bc 45 392A 6 336,-1.2 338,-2.6 -2,-0.3 2,-0.4 -0.936 43.7-129.0-100.1 122.9 2.1 41.0 -37.3 56 62 A D E + c 0 393A 2 -12,-3.6 338,-0.1 -2,-0.6 336,-0.0 -0.686 40.7 163.8 -85.5 134.8 2.7 37.4 -36.4 57 63 A Y S S+ 0 0 2 336,-1.6 346,-2.8 -2,-0.4 338,-0.3 0.114 78.1 59.1-128.7 12.0 2.5 34.5 -38.9 58 64 A V S >> S- 0 0 3 344,-0.2 3,-1.4 336,-0.1 4,-0.6 0.648 76.3-164.1-108.9 -35.8 4.2 31.9 -36.7 59 65 A G G >4>S- 0 0 10 1,-0.3 3,-1.6 2,-0.2 5,-1.4 0.838 73.4 -55.8 47.2 51.6 1.8 32.0 -33.7 60 66 A T G 345S- 0 0 3 455,-0.6 -1,-0.3 1,-0.3 456,-0.2 0.800 102.0 -64.9 50.2 32.9 4.2 30.3 -31.2 61 67 A W G <45S- 0 0 14 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.765 110.1 -28.6 64.7 29.4 4.3 27.6 -33.9 62 68 A G T X<5S+ 0 0 1 -3,-1.6 3,-0.8 -4,-0.6 -1,-0.2 -0.045 110.2 88.5 135.0 -42.9 0.6 26.6 -33.6 63 69 A P T 3 5S+ 0 0 5 0, 0.0 2,-0.8 0, 0.0 3,-0.5 0.902 75.9 77.5 -59.5 -36.2 -1.1 27.0 -30.3 64 70 A A T > < + 0 0 15 -5,-1.4 3,-3.8 1,-0.2 -4,-0.1 0.179 47.3 129.1 -62.6 19.0 -2.2 30.6 -31.0 65 71 A I T < S+ 0 0 0 -3,-0.8 341,-2.3 -2,-0.8 342,-0.2 0.772 79.9 45.7 -48.4 -32.5 -5.2 29.9 -33.3 66 72 A C T 3 S- 0 0 14 -3,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.415 126.6 -99.6 -87.4 -3.8 -7.4 32.2 -31.2 67 73 A G X - 0 0 8 -3,-3.8 3,-0.9 337,-0.1 -1,-0.2 0.059 50.5 -55.8 98.6 154.5 -4.7 34.8 -31.1 68 74 A H B 3 S+D 43 0B 10 -25,-2.4 -25,-1.9 1,-0.2 -26,-0.1 -0.178 114.6 2.5 -63.9 155.6 -2.2 35.7 -28.4 69 75 A A T 3 S- 0 0 13 -27,-0.2 -1,-0.2 1,-0.2 443,-0.1 0.702 81.4-161.9 39.0 34.8 -3.2 36.5 -24.8 70 76 A H X> - 0 0 42 -3,-0.9 4,-2.8 1,-0.1 3,-1.5 -0.244 16.6-133.6 -48.5 122.2 -6.9 35.9 -25.6 71 77 A P H 3> S+ 0 0 70 0, 0.0 4,-1.2 0, 0.0 5,-0.2 0.755 102.4 49.1 -47.9 -43.6 -8.8 37.7 -22.8 72 78 A E H 3> S+ 0 0 88 2,-0.2 4,-0.9 3,-0.1 -2,-0.1 0.761 113.8 46.2 -73.8 -24.5 -11.2 34.8 -22.1 73 79 A V H <> S+ 0 0 10 -3,-1.5 4,-2.0 2,-0.2 5,-0.2 0.947 113.1 48.9 -82.6 -46.8 -8.3 32.3 -22.0 74 80 A I H < S+ 0 0 27 -4,-2.8 4,-0.5 1,-0.2 -2,-0.2 0.690 112.7 46.7 -69.0 -13.9 -6.2 34.4 -19.7 75 81 A E H X S+ 0 0 112 -4,-1.2 4,-2.3 -5,-0.3 5,-0.2 0.836 108.6 53.8 -93.5 -32.2 -8.9 35.1 -17.2 76 82 A A H X S+ 0 0 19 -4,-0.9 4,-1.9 1,-0.2 -2,-0.2 0.880 110.7 49.1 -64.4 -36.2 -10.1 31.5 -17.0 77 83 A L H X S+ 0 0 1 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.745 107.3 56.5 -73.9 -23.9 -6.4 30.8 -16.2 78 84 A K H > S+ 0 0 65 -4,-0.5 4,-0.6 -5,-0.2 -2,-0.2 0.993 112.0 38.8 -68.3 -60.3 -6.5 33.6 -13.6 79 85 A V H >< S+ 0 0 101 -4,-2.3 3,-0.9 1,-0.2 4,-0.3 0.865 115.7 55.3 -53.7 -46.2 -9.4 32.2 -11.5 80 86 A A H >< S+ 0 0 17 -4,-1.9 3,-2.1 -5,-0.2 -1,-0.2 0.916 99.4 57.1 -58.1 -48.4 -8.2 28.6 -12.0 81 87 A M H >< S+ 0 0 1 -4,-1.7 3,-1.6 1,-0.3 -1,-0.2 0.638 86.5 78.0 -64.6 -12.3 -4.7 29.0 -10.6 82 88 A E T << S+ 0 0 110 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.782 93.4 55.4 -64.6 -23.2 -6.1 30.3 -7.3 83 89 A K T < S- 0 0 88 -3,-2.1 386,-2.1 -4,-0.3 -1,-0.3 0.459 127.1 -83.9 -87.6 -1.3 -6.7 26.5 -6.7 84 90 A G < - 0 0 1 -3,-1.6 -1,-0.3 384,-0.2 3,-0.1 -0.089 27.9-110.9 108.8 145.5 -3.1 25.5 -7.3 85 91 A T S S+ 0 0 17 1,-0.2 220,-0.8 614,-0.2 2,-0.3 0.810 94.5 17.4 -82.9 -26.9 -1.1 24.7 -10.5 86 92 A S + 0 0 4 217,-0.1 -1,-0.2 218,-0.1 411,-0.1 -1.000 47.0 178.4-150.7 141.8 -0.7 20.9 -10.0 87 93 A F - 0 0 10 -2,-0.3 401,-0.7 2,-0.2 402,-0.1 0.817 29.9-140.3-105.2 -56.7 -2.2 18.1 -7.9 88 94 A G S S+ 0 0 6 1,-0.6 212,-0.1 400,-0.1 401,-0.1 0.628 79.9 76.4 94.5 18.0 -0.6 14.8 -8.7 89 95 A A S S- 0 0 5 213,-0.1 -1,-0.6 399,-0.0 -2,-0.2 -0.910 95.3 -71.5-149.4 166.8 -4.1 13.3 -8.5 90 96 A P - 0 0 13 0, 0.0 376,-1.9 0, 0.0 2,-0.3 -0.228 44.4-172.9 -58.8 159.0 -7.2 13.1 -10.7 91 97 A C >> - 0 0 7 374,-0.2 3,-2.0 346,-0.1 4,-0.5 -0.961 35.5-115.8-153.9 139.7 -9.4 16.2 -11.1 92 98 A A H >> S+ 0 0 42 374,-0.4 4,-1.8 -2,-0.3 3,-0.7 0.750 107.2 74.2 -47.9 -32.1 -12.8 16.6 -12.8 93 99 A L H 3> S+ 0 0 59 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.846 88.9 61.0 -51.8 -35.5 -11.3 19.0 -15.5 94 100 A E H <> S+ 0 0 8 -3,-2.0 4,-3.0 1,-0.2 -1,-0.2 0.908 103.0 49.8 -60.5 -42.0 -9.6 15.9 -17.1 95 101 A N H S- 0 0 15 158,-0.2 4,-2.2 1,-0.1 3,-0.4 -0.968 72.5 -87.2-177.6 172.2 3.8 17.4 -25.5 117 123 A G H > S+ 0 0 18 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.910 121.1 56.8 -60.5 -43.3 3.8 16.2 -29.1 118 124 A T H > S+ 0 0 13 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.819 109.1 44.9 -59.8 -35.9 7.0 14.4 -28.6 119 125 A E H > S+ 0 0 2 -3,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.905 112.6 51.4 -78.6 -36.0 5.6 12.3 -25.7 120 126 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.934 113.4 43.9 -65.2 -44.2 2.4 11.6 -27.6 121 127 A C H X S+ 0 0 1 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.920 113.4 51.5 -67.2 -40.7 4.2 10.4 -30.7 122 128 A M H X S+ 0 0 6 -4,-1.8 4,-1.8 -5,-0.3 -1,-0.2 0.901 111.4 47.5 -64.3 -38.1 6.6 8.4 -28.6 123 129 A A H X S+ 0 0 2 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.904 111.4 49.4 -70.3 -40.3 3.7 6.7 -26.8 124 130 A V H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.806 106.2 59.1 -69.9 -27.3 1.8 5.9 -29.9 125 131 A L H X S+ 0 0 4 -4,-1.9 4,-1.5 2,-0.2 3,-0.5 0.997 109.6 41.8 -60.4 -63.7 5.0 4.4 -31.4 126 132 A R H X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 3,-0.3 0.926 112.4 54.4 -46.5 -56.2 5.3 1.9 -28.6 127 133 A L H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 5,-0.3 0.855 102.2 58.4 -50.5 -40.3 1.5 1.2 -28.7 128 134 A M H X S+ 0 0 2 -4,-2.1 4,-2.0 -3,-0.5 6,-0.3 0.957 111.9 41.0 -54.6 -52.5 1.7 0.4 -32.4 129 135 A R H X S+ 0 0 9 -4,-1.5 4,-3.2 -3,-0.3 5,-0.5 0.942 113.9 50.5 -60.2 -54.0 4.2 -2.3 -31.7 130 136 A A H < S+ 0 0 44 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.893 113.7 47.0 -54.5 -42.4 2.6 -3.7 -28.6 131 137 A Y H < S+ 0 0 98 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.862 122.0 31.2 -70.2 -41.5 -0.7 -4.0 -30.4 132 138 A T H < S- 0 0 35 -4,-2.0 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64.2-149.0 -72.3 124.7 4.3 22.0 6.9 837 415 B T > - 0 0 58 -2,-0.4 4,-2.4 1,-0.1 3,-0.5 -0.512 25.6-110.4 -93.5 164.3 4.1 23.2 10.5 838 416 B E H > S+ 0 0 63 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.908 122.7 54.5 -55.7 -37.8 5.4 21.5 13.7 839 417 B E H > S+ 0 0 144 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.784 103.8 50.7 -68.3 -32.0 1.7 21.0 14.5 840 418 B D H > S+ 0 0 12 -3,-0.5 4,-1.5 2,-0.2 -1,-0.2 0.935 110.6 51.8 -70.7 -41.8 0.9 19.3 11.2 841 419 B I H X S+ 0 0 0 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.826 110.3 49.3 -61.1 -33.7 3.9 17.0 12.0 842 420 B D H X S+ 0 0 85 -4,-1.6 4,-1.4 1,-0.2 -1,-0.2 0.935 109.6 49.8 -72.5 -44.3 2.4 16.3 15.5 843 421 B A H X S+ 0 0 49 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.709 108.1 53.5 -67.8 -23.2 -1.1 15.5 14.2 844 422 B T H X S+ 0 0 3 -4,-1.5 4,-3.3 2,-0.2 -1,-0.2 0.901 107.3 50.3 -76.2 -42.8 0.2 13.1 11.6 845 423 B L H X S+ 0 0 18 -4,-1.4 4,-1.0 2,-0.2 -2,-0.2 0.817 108.7 55.7 -61.9 -28.6 2.1 11.2 14.2 846 424 B A H >X S+ 0 0 47 -4,-1.4 4,-2.3 2,-0.2 3,-0.8 0.954 110.0 42.2 -68.0 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