==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 21-SEP-11 3TW9 . COMPND 2 MOLECULE: PUTATIVE DEHYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA ENTERICA SUBSP. ENTERICA SE . AUTHOR Y.PATSKOVSKY,R.TORO,R.BHOSLE,B.HILLERICH,R.D.SEIDEL,E.WASHIN . 1607 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 55613.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1061 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 119 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 104 6.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.2 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 . 4 0.2 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 . 76 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 171 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 483 30.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 35 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 8 1 4 3 0 8 2 4 0 8 4 0 4 0 0 4 0 0 4 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 9 23 8 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 0 PARALLEL BRIDGES PER LADDER . 0 8 4 0 4 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 ANTIPARALLEL BRIDGES PER LADDER . 4 12 0 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 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 5 A N 0 0 174 0, 0.0 2,-0.2 0, 0.0 26,-0.1 0.000 360.0 360.0 360.0 24.0 55.3 -6.8 13.5 2 6 A L + 0 0 27 24,-0.1 2,-0.3 25,-0.0 62,-0.2 -0.432 360.0 176.8 -70.1 131.4 56.6 -5.3 10.2 3 7 A K - 0 0 80 -2,-0.2 24,-1.7 59,-0.2 2,-0.4 -0.966 35.3-112.7-135.7 148.9 59.9 -3.5 10.4 4 8 A I E +A 26 0A 2 57,-2.3 56,-3.2 54,-0.4 22,-0.3 -0.688 34.7 173.0 -74.4 129.7 62.5 -1.8 8.1 5 9 A T E + 0 0 61 20,-2.6 2,-0.3 -2,-0.4 21,-0.2 0.710 58.8 13.4-109.5 -30.9 65.7 -3.9 8.0 6 10 A N E -A 25 0A 69 19,-1.2 19,-3.0 52,-0.1 2,-0.4 -0.994 49.9-167.9-151.2 141.3 67.9 -2.2 5.4 7 11 A V E +A 24 0A 10 -2,-0.3 2,-0.3 17,-0.2 17,-0.2 -0.976 20.7 171.2-129.4 117.8 68.0 1.0 3.4 8 12 A K E -A 23 0A 65 15,-2.3 15,-2.8 -2,-0.4 2,-0.5 -0.931 27.9-135.5-126.4 156.8 70.4 1.3 0.5 9 13 A T E -A 22 0A 11 -2,-0.3 2,-0.6 13,-0.2 13,-0.2 -0.938 16.0-158.6-107.0 125.0 71.1 3.8 -2.3 10 14 A I E -A 21 0A 17 11,-3.4 11,-2.4 -2,-0.5 2,-0.5 -0.935 4.9-161.3-104.5 118.9 71.6 2.4 -5.8 11 15 A L E +A 20 0A 34 -2,-0.6 2,-0.3 9,-0.2 9,-0.2 -0.899 25.5 150.0-102.1 127.8 73.5 4.7 -8.1 12 16 A T E -A 19 0A 0 7,-1.8 7,-1.8 -2,-0.5 3,-0.1 -0.991 34.0-163.1-157.4 146.4 73.0 3.8 -11.9 13 17 A A > + 0 0 12 360,-2.8 3,-2.1 357,-0.4 5,-0.1 -0.375 26.2 153.3-129.6 59.6 73.0 5.6 -15.2 14 18 A P T 3 S+ 0 0 5 0, 0.0 323,-0.2 0, 0.0 324,-0.2 0.795 82.4 44.7 -63.0 -26.3 71.4 3.3 -17.9 15 19 A G T 3 S- 0 0 32 2,-0.4 3,-0.1 322,-0.1 -2,-0.0 0.157 126.0 -97.1 -99.2 18.0 70.3 6.3 -19.9 16 20 A G S < S+ 0 0 68 -3,-2.1 2,-0.4 1,-0.2 -3,-0.1 0.654 97.7 102.0 80.0 18.5 73.6 8.2 -19.7 17 21 A I S S- 0 0 60 289,-0.1 -2,-0.4 291,-0.0 -1,-0.2 -1.000 80.8-107.2-137.4 128.3 72.4 10.3 -16.8 18 22 A D - 0 0 13 -2,-0.4 2,-0.3 -5,-0.1 -5,-0.2 -0.382 42.0-174.1 -61.7 127.3 73.2 9.7 -13.1 19 23 A L E -A 12 0A 4 -7,-1.8 -7,-1.8 -2,-0.1 2,-0.4 -0.927 17.0-153.2-120.5 148.9 70.3 8.3 -11.1 20 24 A A E -A 11 0A 0 -2,-0.3 17,-3.0 -9,-0.2 2,-0.4 -0.990 14.2-179.2-122.9 127.0 69.7 7.6 -7.4 21 25 A V E -AB 10 36A 0 -11,-2.4 -11,-3.4 -2,-0.4 2,-0.5 -0.990 15.8-146.6-126.6 126.0 67.3 4.9 -6.3 22 26 A V E -AB 9 35A 0 13,-2.4 13,-1.9 -2,-0.4 2,-0.5 -0.798 9.4-163.3 -94.3 128.6 66.5 4.0 -2.7 23 27 A K E -AB 8 34A 14 -15,-2.8 -15,-2.3 -2,-0.5 2,-0.6 -0.970 2.2-164.6-110.5 123.3 65.7 0.4 -1.8 24 28 A I E -AB 7 33A 0 9,-2.5 9,-1.9 -2,-0.5 2,-0.3 -0.937 6.9-161.4-105.9 119.5 64.0 -0.2 1.5 25 29 A E E -AB 6 32A 70 -19,-3.0 -20,-2.6 -2,-0.6 -19,-1.2 -0.723 5.5-160.4 -96.2 154.1 64.0 -3.8 2.7 26 30 A T E -A 4 0A 14 5,-1.2 -22,-0.2 2,-0.4 4,-0.2 -0.733 34.4-105.2-123.2 174.2 61.7 -5.2 5.4 27 31 A N S S+ 0 0 70 -24,-1.7 -23,-0.1 -2,-0.2 -25,-0.0 0.342 96.9 91.8 -81.2 4.8 61.6 -8.2 7.8 28 32 A E S > S- 0 0 95 3,-0.3 3,-2.1 -25,-0.3 -2,-0.4 -0.926 93.4-107.7 -99.5 119.2 58.9 -9.8 5.6 29 33 A P T 3 S+ 0 0 127 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.195 97.7 2.3 -48.9 121.5 60.6 -12.0 3.0 30 34 A G T 3 S+ 0 0 71 1,-0.2 2,-0.7 -4,-0.2 -3,-0.1 0.488 97.1 124.2 81.3 1.9 60.5 -10.5 -0.5 31 35 A L < + 0 0 17 -3,-2.1 -5,-1.2 -5,-0.2 -3,-0.3 -0.868 29.6 138.7-101.3 110.0 58.8 -7.3 0.6 32 36 A Y E -B 25 0A 48 -2,-0.7 2,-0.3 -7,-0.2 -7,-0.2 -0.917 35.8-140.6-139.0 168.9 60.8 -4.2 -0.4 33 37 A G E -B 24 0A 0 -9,-1.9 -9,-2.5 -2,-0.3 2,-0.4 -0.968 7.0-147.8-132.4 151.3 60.0 -0.7 -1.8 34 38 A L E +B 23 0A 0 -2,-0.3 2,-0.3 60,-0.3 64,-0.3 -0.921 16.7 176.4-116.6 145.7 61.8 1.5 -4.3 35 39 A G E -B 22 0A 0 -13,-1.9 -13,-2.4 -2,-0.4 2,-0.4 -0.971 27.8-115.7-142.8 157.8 61.9 5.3 -4.4 36 40 A C E +B 21 0A 0 -2,-0.3 -15,-0.2 54,-0.3 58,-0.2 -0.804 28.7 166.9 -96.8 134.4 63.6 8.0 -6.5 37 41 A A + 0 0 0 -17,-3.0 2,-1.2 -2,-0.4 -16,-0.2 -0.117 24.0 155.8-127.0 33.4 66.2 10.3 -5.1 38 42 A T + 0 0 0 -18,-0.3 2,-0.5 49,-0.1 241,-0.1 -0.544 13.7 145.8 -80.3 95.8 67.5 11.7 -8.4 39 43 A F > - 0 0 0 -2,-1.2 3,-1.6 1,-0.1 7,-0.2 -0.907 34.2-167.4-109.2 91.6 69.1 15.2 -8.1 40 44 A T G > S+ 0 0 21 -2,-0.5 3,-1.2 267,-0.3 4,-0.2 0.821 75.0 57.0 -59.1 -36.9 71.5 14.2 -10.9 41 45 A Q G 3 S+ 0 0 17 432,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.627 119.9 30.3 -74.6 -12.3 74.0 17.1 -10.4 42 46 A R G X> S+ 0 0 11 -3,-1.6 4,-2.0 431,-0.1 3,-0.6 -0.052 77.1 138.5-131.3 35.6 74.6 16.2 -6.7 43 47 A I H <> S+ 0 0 0 -3,-1.2 4,-2.2 1,-0.3 5,-0.1 0.823 72.1 50.4 -55.9 -38.5 74.1 12.4 -6.9 44 48 A F H 3> S+ 0 0 49 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.875 109.7 50.7 -72.0 -35.2 77.0 11.5 -4.6 45 49 A A H <> S+ 0 0 0 -3,-0.6 4,-2.3 2,-0.2 -1,-0.2 0.858 109.7 51.1 -67.5 -36.0 75.9 14.1 -1.9 46 50 A V H X S+ 0 0 0 -4,-2.0 4,-2.3 -7,-0.2 -2,-0.2 0.918 109.7 50.3 -62.2 -45.6 72.4 12.6 -2.0 47 51 A K H X S+ 0 0 68 -4,-2.2 4,-3.0 2,-0.2 5,-0.3 0.934 110.1 50.4 -58.4 -46.9 73.9 9.1 -1.6 48 52 A S H X S+ 0 0 18 -4,-2.4 4,-2.5 1,-0.2 5,-0.4 0.921 109.6 50.4 -57.0 -46.4 75.9 10.4 1.4 49 53 A A H X>S+ 0 0 0 -4,-2.3 5,-1.3 2,-0.2 4,-1.2 0.901 116.6 40.8 -61.3 -41.5 72.8 11.9 3.0 50 54 A I H X>S+ 0 0 0 -4,-2.3 5,-2.4 3,-0.2 4,-0.6 0.969 119.2 42.7 -70.5 -54.2 70.8 8.6 2.6 51 55 A D H <5S+ 0 0 58 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.892 121.6 38.0 -62.8 -41.1 73.6 6.2 3.6 52 56 A E H <5S+ 0 0 89 -4,-2.5 738,-0.4 -5,-0.3 -1,-0.2 0.777 135.3 9.1 -83.5 -26.1 75.0 8.2 6.6 53 57 A Y H X5S+ 0 0 1 -4,-1.2 4,-0.8 -5,-0.4 -3,-0.2 0.731 122.5 50.2-128.8 -43.0 71.8 9.6 8.1 54 58 A M H X> - 0 0 65 -59,-0.2 3,-1.2 -2,-0.2 -59,-0.2 -0.672 26.7-155.6 -74.1 117.2 57.2 0.3 11.1 63 67 A P T 3 S+ 0 0 1 0, 0.0 37,-0.2 0, 0.0 -1,-0.1 0.591 84.1 76.1 -73.2 -10.7 57.2 1.2 7.4 64 68 A T T 3 S+ 0 0 25 1,-0.2 2,-1.6 -62,-0.2 3,-0.3 0.727 76.8 81.1 -74.0 -17.1 53.4 1.5 7.3 65 69 A R <> + 0 0 33 -3,-1.2 4,-2.6 1,-0.2 -1,-0.2 -0.413 54.5 155.8 -86.0 61.5 53.7 4.9 9.1 66 70 A I H > S+ 0 0 1 -2,-1.6 4,-2.6 1,-0.2 -1,-0.2 0.904 70.0 44.0 -58.0 -51.4 54.5 6.9 6.0 67 71 A E H > S+ 0 0 5 854,-2.4 4,-3.0 -3,-0.3 5,-0.2 0.899 113.9 50.0 -63.5 -42.5 53.3 10.3 7.3 68 72 A D H > S+ 0 0 10 853,-0.5 4,-2.5 855,-0.3 5,-0.2 0.914 112.3 48.3 -64.0 -41.4 55.0 9.9 10.7 69 73 A I H X S+ 0 0 9 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.903 114.0 46.9 -63.1 -43.5 58.3 8.9 9.0 70 74 A W H X S+ 0 0 34 -4,-2.6 4,-2.7 -5,-0.2 -2,-0.2 0.960 114.4 45.9 -61.5 -51.2 58.0 11.9 6.6 71 75 A Q H X S+ 0 0 26 -4,-3.0 4,-0.8 1,-0.2 -2,-0.2 0.909 120.4 39.5 -64.2 -42.4 57.2 14.4 9.4 72 76 A S H < S+ 0 0 4 -4,-2.5 4,-0.4 -5,-0.2 3,-0.3 0.882 117.0 48.5 -73.2 -39.6 59.9 13.1 11.7 73 77 A G H >< S+ 0 0 4 -4,-2.7 3,-0.9 -5,-0.2 4,-0.4 0.864 103.1 61.9 -69.8 -33.8 62.5 12.6 9.0 74 78 A V H 3< S+ 0 0 9 -4,-2.7 3,-0.3 1,-0.3 -1,-0.2 0.845 116.2 31.9 -61.1 -31.2 62.0 16.0 7.4 75 79 A V T >< S+ 0 0 4 -4,-0.8 3,-2.1 -3,-0.3 -1,-0.3 0.331 87.4 105.1-107.2 3.0 63.1 17.6 10.7 76 80 A S T < S+ 0 0 3 -3,-0.9 719,-0.2 -4,-0.4 -1,-0.2 0.779 90.2 38.1 -61.7 -25.5 65.6 15.0 11.8 77 81 A G T 3 S- 0 0 0 -4,-0.4 2,-2.1 2,-0.3 360,-0.3 0.230 104.2-132.6-103.6 13.6 68.6 17.2 10.9 78 82 A Y S < S+ 0 0 3 -3,-2.1 -1,-0.1 717,-0.1 -2,-0.1 -0.484 87.0 73.4 64.2 -72.1 66.8 20.4 12.1 79 83 A W + 0 0 2 -2,-2.1 -2,-0.3 -3,-0.1 2,-0.2 -0.347 66.7 145.7 -64.3 151.9 67.7 22.3 9.0 80 84 A R + 0 0 4 586,-0.4 -5,-0.1 1,-0.2 -6,-0.0 -0.848 20.9 93.5-165.9-170.3 65.7 21.3 6.0 81 85 A N + 0 0 18 -2,-0.2 -1,-0.2 1,-0.2 175,-0.1 0.974 63.5 119.2 63.9 61.9 64.0 22.5 2.7 82 86 A G S > S- 0 0 1 396,-0.2 4,-3.0 -3,-0.1 5,-0.3 -0.968 72.9-108.4-150.3 165.8 66.7 21.8 0.1 83 87 A P H > S+ 0 0 0 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.895 118.3 42.0 -71.4 -36.1 67.3 19.8 -3.0 84 88 A I H > S+ 0 0 1 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.963 119.0 45.7 -70.5 -48.0 69.7 17.3 -1.4 85 89 A M H > S+ 0 0 12 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.914 113.5 49.2 -56.9 -47.5 67.6 17.0 1.8 86 90 A N H X S+ 0 0 6 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.871 109.8 50.9 -67.1 -36.3 64.3 16.6 -0.1 87 91 A N H X S+ 0 0 0 -4,-1.6 4,-2.3 -5,-0.3 -1,-0.2 0.899 106.9 53.7 -68.2 -41.1 65.7 13.9 -2.5 88 92 A A H X S+ 0 0 4 -4,-2.1 4,-1.2 1,-0.2 -2,-0.2 0.923 112.9 44.7 -55.6 -45.4 67.0 11.9 0.5 89 93 A L H X S+ 0 0 14 -4,-1.9 4,-3.1 1,-0.2 -2,-0.2 0.850 109.8 56.0 -65.8 -38.7 63.5 12.0 2.0 90 94 A S H X S+ 0 0 0 -4,-2.1 4,-2.9 188,-0.4 5,-0.4 0.899 100.7 56.9 -62.1 -41.9 61.8 11.3 -1.4 91 95 A G H X S+ 0 0 0 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.935 115.2 38.4 -57.4 -47.4 63.8 8.0 -1.9 92 96 A V H X S+ 0 0 6 -4,-1.2 4,-2.2 2,-0.2 -2,-0.2 0.948 115.8 52.0 -62.8 -54.0 62.5 6.8 1.4 93 97 A D H X S+ 0 0 3 -4,-3.1 4,-1.9 1,-0.2 -2,-0.2 0.891 110.9 45.5 -56.4 -48.1 58.9 8.2 1.0 94 98 A M H X S+ 0 0 1 -4,-2.9 4,-2.6 1,-0.2 -60,-0.3 0.879 111.0 54.7 -64.7 -39.9 58.3 6.7 -2.4 95 99 A A H X S+ 0 0 0 -4,-1.4 4,-2.8 -5,-0.4 -1,-0.2 0.878 106.8 51.2 -59.7 -39.8 59.7 3.3 -1.2 96 100 A L H X S+ 0 0 1 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.901 109.9 48.8 -65.9 -40.4 57.2 3.3 1.7 97 101 A W H X S+ 0 0 11 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.914 110.1 52.2 -60.9 -44.0 54.3 4.1 -0.7 98 102 A D H X S+ 0 0 0 -4,-2.6 4,-2.1 -64,-0.3 -2,-0.2 0.943 111.7 46.8 -56.9 -49.7 55.6 1.2 -2.9 99 103 A I H X S+ 0 0 1 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.922 110.6 52.3 -57.9 -46.1 55.6 -1.1 0.2 100 104 A K H X S+ 0 0 3 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.899 109.7 48.3 -58.2 -43.2 52.1 0.0 1.2 101 105 A G H X>S+ 0 0 0 -4,-2.4 5,-2.4 2,-0.2 4,-1.1 0.909 111.3 51.2 -64.2 -40.7 50.7 -0.7 -2.3 102 106 A K H <5S+ 0 0 59 -4,-2.1 3,-0.5 257,-0.3 -2,-0.2 0.920 111.4 46.7 -61.2 -45.5 52.4 -4.2 -2.2 103 107 A L H <5S+ 0 0 59 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.833 117.5 43.7 -63.8 -34.7 50.8 -4.9 1.2 104 108 A A H <5S- 0 0 8 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.572 106.1-127.3 -85.3 -13.0 47.4 -3.7 -0.0 105 109 A G T <5S+ 0 0 51 -4,-1.1 -3,-0.2 -3,-0.5 -4,-0.1 0.819 73.3 106.9 63.3 34.2 47.7 -5.5 -3.4 106 110 A M S > -c 360 0B 6 0, 0.0 4,-1.4 0, 0.0 3,-1.1 -0.314 39.8-112.0 -57.9 152.1 48.7 0.4 -7.3 108 112 A V H 3> S+ 0 0 0 252,-2.0 4,-1.8 1,-0.3 3,-0.3 0.898 118.6 62.0 -54.6 -41.0 49.7 3.6 -5.5 109 113 A Y H 34>S+ 0 0 7 251,-0.3 5,-2.4 1,-0.2 -1,-0.3 0.817 102.5 51.7 -56.8 -29.9 47.1 5.5 -7.7 110 114 A D H X45S+ 0 0 26 -3,-1.1 3,-1.0 3,-0.2 -1,-0.2 0.870 106.2 52.1 -75.0 -36.2 44.4 3.2 -6.1 111 115 A L H 3<5S+ 0 0 1 -4,-1.4 -2,-0.2 -3,-0.3 -1,-0.2 0.852 110.1 52.4 -60.1 -33.7 45.6 4.0 -2.5 112 116 A L T 3<5S- 0 0 13 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.405 140.1 -64.8 -87.6 -1.1 45.3 7.7 -3.5 113 117 A G T < 5S- 0 0 0 -3,-1.0 762,-2.3 -4,-0.2 763,-0.5 0.348 75.1 -98.3 136.6 -8.4 41.7 7.7 -4.8 114 118 A G < - 0 0 0 -5,-2.4 759,-0.1 759,-0.2 2,-0.1 -0.120 68.1 -25.2 82.9 175.6 41.7 5.5 -7.9 115 119 A K - 0 0 74 1,-0.1 761,-0.3 760,-0.1 207,-0.2 -0.369 44.0-179.6 -68.0 130.9 41.8 6.4 -11.6 116 120 A C S S+ 0 0 19 205,-2.8 2,-0.3 -2,-0.1 -1,-0.1 0.385 71.7 21.1-106.3 -4.4 40.6 9.8 -12.6 117 121 A R S S- 0 0 47 204,-0.3 -1,-0.1 1,-0.0 3,-0.1 -0.951 73.7-117.9-154.5 170.4 41.2 9.4 -16.3 118 122 A D S S- 0 0 137 -2,-0.3 2,-0.3 1,-0.2 203,-0.0 0.555 93.5 -1.1 -93.2 -11.5 41.7 6.7 -19.0 119 123 A G S S- 0 0 10 235,-0.1 -1,-0.2 202,-0.0 235,-0.2 -0.953 74.0-107.8-166.3 165.3 45.3 7.6 -20.0 120 124 A I E -D 353 0C 0 233,-2.3 233,-2.3 -2,-0.3 2,-0.1 -0.897 32.4-137.5-107.8 106.4 47.9 10.2 -19.1 121 125 A P E -D 352 0C 16 0, 0.0 208,-1.8 0, 0.0 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55.3 17.4 -12.7 303 327 A H + 0 0 9 -28,-1.8 -26,-0.3 -29,-0.3 -1,-0.1 -0.352 44.0 179.8 -60.0 127.1 58.8 17.7 -14.1 304 328 A G + 0 0 4 -3,-0.1 -1,-0.1 -2,-0.1 4,-0.1 -0.434 23.5 138.4-131.9 61.4 59.5 14.9 -16.5 305 329 A P - 0 0 12 0, 0.0 27,-0.4 0, 0.0 3,-0.2 0.019 69.9 -93.4 -88.1-166.9 63.1 15.4 -17.9 306 330 A G S S+ 0 0 26 1,-0.2 2,-1.9 25,-0.1 -289,-0.1 0.766 112.8 78.0 -75.3 -27.8 65.8 12.7 -18.5 307 331 A D S S+ 0 0 28 -288,-0.0 -267,-0.3 2,-0.0 2,-0.3 -0.375 77.1 84.5 -88.9 61.7 67.2 13.3 -15.0 308 332 A I S S- 0 0 12 -2,-1.9 -269,-0.0 -3,-0.2 -291,-0.0 -0.940 78.8-120.2-151.9 138.8 64.5 11.3 -13.1 309 333 A S > - 0 0 0 -2,-0.3 4,-2.5 -289,-0.2 3,-0.2 -0.414 29.9-107.1 -78.9 163.0 64.7 7.6 -12.6 310 334 A P H > S+ 0 0 1 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.810 123.8 59.5 -59.6 -26.0 61.9 5.3 -14.0 311 335 A V H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -275,-0.2 0.937 107.7 45.4 -61.7 -45.7 60.8 4.9 -10.3 312 336 A G H > S+ 0 0 2 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.866 109.7 54.9 -66.6 -39.1 60.3 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84.4 49.3 12.4 512 120 B C S S+ 0 0 20 221,-2.5 2,-0.3 1,-0.2 -1,-0.1 0.368 72.9 21.6-107.0 -0.7 80.9 50.6 13.3 513 121 B R S S- 0 0 46 220,-0.3 -1,-0.2 3,-0.0 3,-0.1 -0.964 75.0-117.7-159.5 164.1 81.3 50.0 17.0 514 122 B D S S- 0 0 137 -2,-0.3 2,-0.3 1,-0.2 219,-0.0 0.461 93.9 -2.8 -92.0 -4.1 84.1 49.6 19.6 515 123 B G S S- 0 0 8 251,-0.1 251,-0.2 218,-0.0 -1,-0.2 -0.936 75.3-104.0-172.8 167.0 83.2 46.1 20.7 516 124 B I E -S 765 0I 0 249,-2.3 249,-2.1 -2,-0.3 2,-0.1 -0.899 32.4-137.0-108.9 106.5 80.5 43.4 19.9 517 125 B P E -S 764 0I 15 0, 0.0 224,-1.7 0, 0.0 2,-0.3 -0.379 26.6-159.1 -64.9 138.2 77.9 42.9 22.5 518 126 B L E -u 741 0J 0 245,-2.3 25,-0.5 222,-0.2 26,-0.4 -0.781 16.6-155.8-113.9 157.5 77.1 39.4 23.3 519 127 B Y E -u 742 0J 0 222,-1.6 224,-2.2 -2,-0.3 2,-0.3 -0.976 14.9-162.8-123.9 152.0 74.3 37.2 24.7 520 128 B C E -v 545 0K 2 24,-1.1 26,-2.8 -2,-0.4 2,-0.2 -0.877 21.2-107.1-126.5 164.6 74.7 33.8 26.2 521 129 B H E -v 546 0K 49 222,-0.4 26,-0.1 -2,-0.3 16,-0.0 -0.516 14.2-159.9 -83.2 153.3 72.5 30.9 27.2 522 130 B T + 0 0 3 24,-0.5 11,-0.2 -2,-0.2 12,-0.2 -0.165 21.5 179.7-126.3 39.6 71.7 30.1 30.8 523 131 B D + 0 0 77 10,-0.1 2,-0.3 24,-0.1 27,-0.1 -0.143 10.0 162.5 -53.1 124.0 70.6 26.4 30.3 524 132 B G - 0 0 2 25,-0.3 27,-2.2 24,-0.1 28,-0.2 -0.990 47.7-122.4-147.6 152.4 69.6 24.8 33.7 525 133 B G S S+ 0 0 5 -2,-0.3 27,-2.0 25,-0.3 28,-0.4 0.709 92.8 5.6 -68.5 -25.1 67.7 21.8 34.9 526 134 B D S > S- 0 0 59 24,-0.2 4,-2.0 26,-0.1 5,-0.2 -0.897 87.6 -85.7-150.8 178.8 65.2 23.8 36.9 527 135 B E H > S+ 0 0 56 26,-0.6 4,-2.1 -2,-0.3 5,-0.1 0.811 122.0 48.7 -64.1 -38.5 64.1 27.4 37.8 528 136 B V H > S+ 0 0 91 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.886 111.2 51.4 -69.8 -37.0 66.6 28.0 40.6 529 137 B E H > S+ 0 0 91 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.878 110.8 48.0 -64.9 -42.9 69.5 26.7 38.4 530 138 B V H X S+ 0 0 2 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.933 112.0 49.0 -62.3 -48.4 68.5 29.0 35.5 531 139 B E H X S+ 0 0 15 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.867 113.0 48.3 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71.9 147.2 119.5 -0.2 79.8 40.9 32.4 542 150 B Y < - 0 0 13 -5,-2.2 -1,-0.3 1,-0.1 -23,-0.1 -0.510 23.0-177.1 -68.6 132.3 76.9 39.7 30.2 543 151 B Q S S+ 0 0 104 -25,-0.5 66,-2.1 -2,-0.2 2,-0.3 0.325 72.1 46.5-108.7 1.4 74.3 42.4 29.7 544 152 B Y E + w 0 609K 46 -26,-0.4 -24,-1.1 64,-0.2 2,-0.3 -0.989 68.5 177.8-145.9 130.3 72.0 40.2 27.6 545 153 B V E -vw 520 610K 0 64,-2.6 66,-2.4 -2,-0.3 2,-0.4 -0.996 29.2-125.8-140.4 144.6 70.9 36.6 28.4 546 154 B R E -vw 521 611K 30 -26,-2.8 -24,-0.5 -2,-0.3 2,-0.5 -0.758 29.3-162.9 -83.4 133.8 68.7 33.9 27.0 547 155 B C + 0 0 0 64,-3.1 2,-0.3 -2,-0.4 66,-0.2 -0.989 14.9 166.6-127.1 118.1 66.3 32.6 29.6 548 156 B Q - 0 0 27 -2,-0.5 3,-0.1 64,-0.1 -24,-0.1 -0.824 40.7 -88.7-120.8 162.9 64.4 29.4 29.1 549 157 B M - 0 0 57 -2,-0.3 -25,-0.3 1,-0.2 -1,-0.1 -0.200 64.9 -73.7 -55.7 158.5 62.3 27.1 31.4 550 158 B G - 0 0 13 3,-0.5 -25,-0.3 1,-0.1 -24,-0.2 -0.295 39.3-129.8 -56.4 142.5 64.1 24.4 33.4 551 159 B M S S+ 0 0 102 -27,-2.2 -26,-0.2 1,-0.2 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