==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 16-NOV-11 3UNV . COMPND 2 MOLECULE: ADMH; . SOURCE 2 ORGANISM_SCIENTIFIC: PANTOEA AGGLOMERANS; . AUTHOR J.GEIGER,S.STROM . 1030 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36597.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 741 71.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 41 4.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 41 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 104 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 489 47.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 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 4 0 2 0 2 1 3 7 1 4 2 0 2 0 0 2 0 0 0 2 0 0 0 0 0 2 4 RESIDUES PER ALPHA HELIX . 6 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 0 0 0 PARALLEL BRIDGES PER LADDER . 4 3 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 0 ANTIPARALLEL BRIDGES PER LADDER . 6 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 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 26 A S 0 0 92 0, 0.0 2,-0.9 0, 0.0 24,-0.2 0.000 360.0 360.0 360.0 149.9 7.6 45.6 32.3 2 27 A F E -a 25 0A 3 22,-2.8 24,-1.7 16,-0.1 2,-0.3 -0.820 360.0-156.7 -91.3 97.1 10.8 47.5 31.4 3 28 A H E -a 26 0A 87 -2,-0.9 2,-0.6 22,-0.2 24,-0.2 -0.634 9.2-161.6 -88.6 127.3 11.2 49.7 34.5 4 29 A I E +a 27 0A 4 22,-2.4 24,-2.5 -2,-0.3 2,-0.4 -0.960 16.2 172.4-107.0 118.7 13.3 53.0 34.2 5 30 A S > - 0 0 31 -2,-0.6 3,-1.7 3,-0.4 24,-0.0 -0.958 40.4 -87.7-125.8 153.3 14.5 54.4 37.6 6 31 A S T 3 S- 0 0 41 -2,-0.4 3,-0.1 1,-0.3 103,-0.1 -0.202 104.7 -1.8 -64.6 139.0 16.8 57.2 38.1 7 32 A G T 3 S+ 0 0 84 1,-0.2 2,-0.6 24,-0.0 -1,-0.3 0.486 97.7 118.0 62.6 -0.3 20.4 56.5 38.2 8 33 A K < - 0 0 134 -3,-1.7 -3,-0.4 1,-0.0 -1,-0.2 -0.891 63.9-129.5 -98.3 120.6 20.0 52.7 37.8 9 34 A D - 0 0 89 -2,-0.6 2,-0.4 -3,-0.1 309,-0.1 -0.331 12.3-127.7 -71.4 146.5 21.7 51.6 34.6 10 35 A I - 0 0 5 307,-0.2 2,-0.2 -2,-0.1 311,-0.1 -0.757 21.9-136.0 -90.5 137.7 19.9 49.5 32.0 11 36 A S > - 0 0 46 -2,-0.4 4,-2.2 1,-0.1 5,-0.2 -0.574 16.4-121.6 -89.3 154.7 21.6 46.3 30.9 12 37 A L H > S+ 0 0 2 1,-0.2 4,-3.1 -2,-0.2 5,-0.3 0.890 114.3 57.9 -53.8 -40.2 21.8 45.2 27.2 13 38 A E H > S+ 0 0 109 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.939 108.1 46.6 -59.7 -41.7 20.1 41.9 28.2 14 39 A E H > S+ 0 0 59 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.896 114.1 44.5 -69.9 -45.4 17.1 43.9 29.5 15 40 A I H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.909 113.6 51.5 -69.0 -38.3 16.7 46.3 26.6 16 41 A A H X S+ 0 0 0 -4,-3.1 4,-2.5 -5,-0.2 -2,-0.2 0.927 113.5 45.0 -56.3 -46.3 17.1 43.3 24.1 17 42 A R H X S+ 0 0 78 -4,-2.3 4,-2.8 -5,-0.3 6,-0.2 0.914 111.8 52.5 -67.2 -41.5 14.4 41.3 25.9 18 43 A A H X>S+ 0 0 0 -4,-2.6 5,-1.7 1,-0.2 4,-0.9 0.888 113.7 43.9 -58.8 -40.2 12.1 44.4 26.1 19 44 A A H <5S+ 0 0 0 -4,-2.3 3,-0.2 2,-0.2 -1,-0.2 0.889 114.6 47.3 -76.4 -41.1 12.4 45.0 22.4 20 45 A R H <5S+ 0 0 32 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.904 123.9 33.8 -62.1 -44.5 12.0 41.3 21.4 21 46 A D H <5S- 0 0 99 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.442 102.1-124.3 -93.8 -1.1 9.0 40.9 23.7 22 47 A H T <5 - 0 0 57 -4,-0.9 -3,-0.2 -3,-0.2 -4,-0.1 0.951 40.0-175.2 50.1 52.2 7.4 44.4 23.5 23 48 A Q < - 0 0 43 -5,-1.7 -1,-0.2 -6,-0.2 2,-0.1 -0.577 26.2-112.5 -66.7 139.4 7.5 44.8 27.2 24 49 A P - 0 0 61 0, 0.0 -22,-2.8 0, 0.0 2,-0.4 -0.428 25.2-117.9 -73.6 150.5 5.8 48.0 28.3 25 50 A V E -a 2 0A 5 98,-0.3 2,-0.3 -24,-0.2 -22,-0.2 -0.724 29.9-174.2 -83.9 132.7 7.9 50.9 29.8 26 51 A T E -a 3 0A 53 -24,-1.7 -22,-2.4 -2,-0.4 2,-0.4 -0.970 13.7-141.0-121.8 147.9 7.0 51.9 33.4 27 52 A L E -a 4 0A 40 -2,-0.3 2,-0.3 -24,-0.2 -22,-0.2 -0.856 8.1-130.6-112.0 138.4 8.7 54.9 35.1 28 53 A H >> - 0 0 72 -24,-2.5 3,-1.4 -2,-0.4 4,-1.3 -0.625 33.7-114.7 -77.3 140.6 9.9 55.5 38.6 29 54 A D H 3> S+ 0 0 121 1,-0.3 4,-2.2 -2,-0.3 5,-0.1 0.802 114.5 58.7 -40.6 -47.8 8.5 58.8 40.1 30 55 A E H 3> S+ 0 0 84 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.837 100.4 56.6 -60.3 -31.1 11.9 60.4 40.3 31 56 A V H <> S+ 0 0 1 -3,-1.4 4,-2.8 -27,-0.2 5,-0.3 0.974 107.8 48.6 -65.2 -49.7 12.4 59.9 36.5 32 57 A V H X S+ 0 0 27 -4,-1.3 4,-2.5 1,-0.2 -2,-0.2 0.923 112.1 48.3 -49.2 -49.4 9.1 61.9 36.0 33 58 A N H X S+ 0 0 93 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.918 112.3 48.6 -65.1 -37.6 10.3 64.7 38.3 34 59 A R H X S+ 0 0 66 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.904 111.8 47.8 -67.7 -45.3 13.8 64.9 36.6 35 60 A V H X S+ 0 0 2 -4,-2.8 4,-1.6 2,-0.2 -1,-0.2 0.935 115.0 47.9 -58.6 -48.6 12.3 65.1 33.1 36 61 A T H X S+ 0 0 50 -4,-2.5 4,-2.1 -5,-0.3 -2,-0.2 0.935 111.2 48.5 -59.8 -47.0 9.9 67.8 34.3 37 62 A R H X S+ 0 0 117 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.894 105.0 59.0 -62.0 -40.7 12.5 69.8 36.0 38 63 A S H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.920 108.5 46.2 -54.2 -47.2 14.8 69.7 33.0 39 64 A R H X S+ 0 0 12 -4,-1.6 4,-2.6 75,-0.3 -1,-0.2 0.935 110.2 53.2 -62.9 -46.1 12.0 71.4 30.9 40 65 A S H X S+ 0 0 43 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.906 109.0 50.8 -55.8 -39.0 11.4 74.0 33.7 41 66 A I H X S+ 0 0 2 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.980 109.3 49.0 -64.7 -51.7 15.1 74.9 33.7 42 67 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.905 109.9 52.2 -51.4 -47.7 15.2 75.4 29.9 43 68 A E H X S+ 0 0 87 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.944 109.3 49.3 -56.7 -43.6 12.1 77.6 30.1 44 69 A S H X S+ 0 0 57 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.877 109.6 52.5 -66.5 -30.6 13.7 79.8 32.7 45 70 A M H <>S+ 0 0 9 -4,-2.4 5,-2.5 2,-0.2 -1,-0.2 0.915 107.0 52.6 -66.2 -40.6 16.8 80.0 30.5 46 71 A V H ><5S+ 0 0 26 -4,-2.5 3,-1.8 1,-0.2 -2,-0.2 0.937 109.5 49.0 -63.0 -48.7 14.7 81.1 27.6 47 72 A S H 3<5S+ 0 0 91 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.857 106.3 57.2 -52.0 -39.3 13.2 83.9 29.8 48 73 A D T 3<5S- 0 0 114 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.314 118.3-115.4 -73.8 9.4 16.8 84.8 30.8 49 74 A E T < 5 + 0 0 169 -3,-1.8 -3,-0.2 1,-0.2 2,-0.1 0.799 54.0 167.6 56.2 36.4 17.5 85.4 27.1 50 75 A R < - 0 0 93 -5,-2.5 2,-0.6 1,-0.0 -1,-0.2 -0.474 34.9-128.9 -69.9 151.3 20.1 82.5 26.8 51 76 A V + 0 0 106 -2,-0.1 2,-0.4 4,-0.1 -1,-0.0 -0.920 35.7 172.9-105.3 121.0 21.0 81.6 23.3 52 77 A I >>> - 0 0 0 -2,-0.6 3,-2.3 275,-0.0 4,-1.8 -0.977 35.6-108.1-139.8 125.6 20.7 77.9 22.8 53 78 A Y B 345S+b 57 0B 10 -2,-0.4 5,-0.1 1,-0.3 6,-0.1 -0.170 104.0 10.2 -52.5 129.7 21.0 75.8 19.6 54 79 A G T 345S+ 0 0 0 3,-0.6 132,-1.7 4,-0.5 -1,-0.3 0.544 121.5 70.1 82.5 1.5 17.7 74.5 18.3 55 80 A V T <45S- 0 0 1 -3,-2.3 -2,-0.2 130,-0.2 -1,-0.1 0.690 126.9 -6.2-114.8 -57.1 15.7 76.7 20.8 56 81 A N T <5S+ 0 0 26 -4,-1.8 11,-2.3 2,-0.1 2,-0.3 0.081 130.9 64.4-127.8 20.6 16.3 80.2 19.3 57 82 A T B - 0 0 0 847,-0.3 3,-2.5 -6,-0.1 5,-0.1 -0.729 58.4 -2.8-133.5 166.7 20.3 73.9 13.1 60 85 A G G > S+ 0 0 0 1,-0.3 3,-1.9 -2,-0.2 4,-0.1 -0.247 131.5 7.7 55.2-130.5 22.9 72.1 10.8 61 86 A G G 3 S+ 0 0 18 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.621 137.0 50.0 -55.3 -23.8 23.8 74.3 7.8 62 87 A F G X + 0 0 2 -3,-2.5 3,-2.3 1,-0.2 -4,-0.6 0.021 68.1 130.1-108.0 30.5 21.8 77.2 9.3 63 88 A V T < S+ 0 0 53 -3,-1.9 -1,-0.2 1,-0.3 -5,-0.1 0.814 72.1 55.6 -48.3 -35.3 23.5 77.0 12.8 64 89 A N T 3 S+ 0 0 122 -3,-0.2 2,-0.5 -4,-0.1 -1,-0.3 0.436 83.7 105.5 -86.2 -3.1 24.2 80.8 12.6 65 90 A Y < - 0 0 75 -3,-2.3 -7,-2.5 -6,-0.1 2,-0.3 -0.718 65.2-139.7 -82.7 124.3 20.5 81.8 12.0 66 91 A I B -C 57 0B 148 -2,-0.5 -9,-0.3 -9,-0.2 841,-0.1 -0.628 20.6-169.4 -70.9 137.1 18.6 83.4 14.9 67 92 A V - 0 0 4 -11,-2.3 5,-0.1 -2,-0.3 839,-0.0 -0.974 22.9-114.9-132.9 128.8 15.1 82.1 15.0 68 93 A P > - 0 0 73 0, 0.0 3,-2.1 0, 0.0 4,-0.1 -0.224 16.2-126.9 -61.0 144.4 12.4 83.7 17.3 69 94 A I G > S+ 0 0 57 1,-0.3 3,-1.9 2,-0.2 4,-0.3 0.834 110.3 66.8 -52.3 -32.8 11.0 81.7 20.2 70 95 A A G 3 S+ 0 0 101 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.748 99.7 49.8 -63.8 -21.4 7.6 82.5 18.7 71 96 A K G <> S+ 0 0 91 -3,-2.1 4,-2.6 1,-0.2 3,-0.4 0.288 78.4 113.4-100.6 11.1 8.4 80.4 15.7 72 97 A A H <> S+ 0 0 5 -3,-1.9 4,-2.9 1,-0.2 5,-0.3 0.886 74.1 48.0 -51.0 -50.4 9.5 77.3 17.7 73 98 A S H > S+ 0 0 71 -4,-0.3 4,-2.2 -3,-0.2 -1,-0.2 0.898 113.7 47.6 -59.9 -38.8 6.8 74.9 16.7 74 99 A E H > S+ 0 0 93 -3,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.923 112.4 48.6 -75.2 -43.5 7.2 75.7 13.1 75 100 A L H X S+ 0 0 1 -4,-2.6 4,-3.0 2,-0.2 -1,-0.2 0.899 112.2 49.3 -57.5 -44.4 11.0 75.3 13.2 76 101 A Q H X S+ 0 0 0 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.914 112.5 47.0 -67.6 -36.0 10.8 72.0 15.1 77 102 A N H X S+ 0 0 56 -4,-2.2 4,-1.9 -5,-0.3 -1,-0.2 0.914 113.3 49.3 -71.2 -37.5 8.2 70.6 12.6 78 103 A N H X S+ 0 0 17 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.917 109.1 53.9 -63.0 -45.2 10.4 71.8 9.7 79 104 A L H X S+ 0 0 0 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.941 108.5 46.2 -55.9 -50.4 13.4 70.2 11.3 80 105 A I H < S+ 0 0 0 -4,-2.2 4,-0.4 1,-0.2 -1,-0.2 0.859 117.4 44.7 -69.9 -32.2 11.8 66.6 11.6 81 106 A N H >< S+ 0 0 4 -4,-1.9 3,-0.8 -5,-0.2 930,-0.3 0.919 111.4 53.1 -66.6 -47.3 10.5 66.8 8.0 82 107 A A H 3< S+ 0 0 6 -4,-2.9 -2,-0.2 1,-0.2 929,-0.2 0.876 113.7 40.5 -64.3 -38.3 13.8 68.2 6.5 83 108 A V T 3< S+ 0 0 1 -4,-2.2 2,-2.0 -5,-0.2 -1,-0.2 0.479 84.7 100.2 -95.4 1.4 16.1 65.5 7.9 84 109 A A < + 0 0 3 -3,-0.8 928,-0.9 -4,-0.4 927,-0.8 -0.591 43.9 130.7 -82.3 74.7 13.8 62.5 7.4 85 110 A T + 0 0 2 -2,-2.0 -1,-0.2 925,-0.2 54,-0.1 0.378 21.2 130.8-120.7 9.4 15.7 61.5 4.2 86 111 A N - 0 0 1 -3,-0.2 2,-0.2 52,-0.1 52,-0.2 -0.235 34.4-169.8 -50.0 146.7 16.3 57.7 4.7 87 112 A V E +D 137 0C 0 50,-2.1 50,-2.2 830,-0.1 2,-0.1 -0.742 34.7 48.0-133.3 176.9 15.4 55.4 1.9 88 113 A G E S- 0 0 13 -2,-0.2 928,-0.1 47,-0.2 -2,-0.0 -0.365 91.8 -6.4 88.3-164.0 15.2 51.6 1.2 89 114 A K E S- 0 0 132 46,-0.2 47,-2.2 1,-0.1 2,-0.3 -0.196 74.9-105.9 -71.2 157.1 13.5 48.8 3.2 90 115 A Y E -D 135 0C 58 45,-0.2 -1,-0.1 46,-0.1 43,-0.1 -0.615 33.0-106.3 -85.3 143.9 11.9 49.4 6.6 91 116 A F - 0 0 2 43,-3.0 43,-0.3 -2,-0.3 -1,-0.1 -0.252 42.3-103.8 -60.0 145.8 13.5 48.2 9.8 92 117 A D > - 0 0 27 421,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.267 34.9-101.8 -65.1 165.8 11.8 45.2 11.4 93 118 A D H > S+ 0 0 51 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.840 119.0 54.5 -60.8 -40.8 9.6 45.8 14.5 94 119 A T H > S+ 0 0 4 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.935 110.2 45.7 -61.2 -47.4 12.2 44.6 17.1 95 120 A T H > S+ 0 0 1 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.932 114.2 49.4 -63.3 -43.3 14.9 47.1 15.8 96 121 A V H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.920 112.1 48.1 -57.4 -51.9 12.3 49.9 15.8 97 122 A R H X S+ 0 0 33 -4,-3.0 4,-2.6 1,-0.2 5,-0.2 0.933 111.3 50.0 -54.6 -47.7 11.3 49.0 19.3 98 123 A A H X S+ 0 0 0 -4,-3.1 4,-2.0 1,-0.2 -1,-0.2 0.853 110.5 52.2 -58.2 -41.0 14.9 48.9 20.5 99 124 A T H X S+ 0 0 2 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.922 110.2 45.5 -61.7 -48.5 15.5 52.2 18.9 100 125 A M H X S+ 0 0 1 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.907 111.6 52.1 -69.9 -35.1 12.7 53.9 20.6 101 126 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.887 108.6 52.1 -61.3 -35.6 13.6 52.4 24.0 102 127 A A H X S+ 0 0 3 -4,-2.0 4,-2.3 -5,-0.2 -2,-0.2 0.900 111.0 47.7 -69.6 -37.5 17.1 53.7 23.6 103 128 A R H X S+ 0 0 6 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.879 111.2 49.7 -65.6 -44.2 15.8 57.2 22.9 104 129 A I H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.933 110.9 51.3 -61.9 -45.7 13.4 56.9 25.9 105 130 A V H X S+ 0 0 3 -4,-2.8 4,-0.6 2,-0.2 -2,-0.2 0.936 111.3 47.0 -54.5 -49.9 16.4 55.9 28.1 106 131 A S H >< S+ 0 0 0 -4,-2.3 3,-1.2 1,-0.2 5,-0.4 0.959 115.1 45.4 -60.2 -44.9 18.5 58.8 26.9 107 132 A L H >< S+ 0 0 1 -4,-2.8 3,-1.6 1,-0.3 5,-0.4 0.827 102.2 67.1 -70.0 -31.6 15.7 61.3 27.5 108 133 A S H 3< S+ 0 0 11 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.659 81.5 77.1 -59.7 -21.4 14.8 59.8 30.9 109 134 A R T << S- 0 0 82 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.1 0.552 102.6-125.3 -70.7 -7.7 18.2 61.0 32.3 110 135 A G S < S+ 0 0 1 -3,-1.6 -2,-0.1 -4,-0.1 -3,-0.1 0.672 83.0 104.2 75.9 16.3 16.7 64.5 32.6 111 136 A N + 0 0 32 -5,-0.4 218,-2.3 -4,-0.1 -4,-0.1 0.477 67.7 66.1-101.4 -1.0 19.4 66.4 30.6 112 137 A S S S- 0 0 0 -5,-0.4 78,-0.1 216,-0.2 -1,-0.1 0.630 85.2-139.3 -98.8 -19.2 17.4 66.9 27.3 113 138 A A + 0 0 1 1,-0.2 2,-0.2 -6,-0.2 77,-0.1 0.805 42.4 156.6 58.2 35.2 14.6 69.2 28.4 114 139 A I - 0 0 2 -7,-0.2 -75,-0.3 1,-0.1 -1,-0.2 -0.589 53.7 -97.2 -72.7 148.0 11.9 67.5 26.4 115 140 A S > - 0 0 20 -2,-0.2 4,-2.9 1,-0.1 5,-0.2 -0.418 22.2-122.5 -69.1 154.3 8.5 68.2 28.0 116 141 A I H > S+ 0 0 35 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.879 112.9 57.0 -64.9 -31.6 7.1 65.7 30.4 117 142 A V H > S+ 0 0 87 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.971 110.8 40.6 -66.7 -46.9 3.9 65.5 28.2 118 143 A N H > S+ 0 0 5 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.885 112.7 55.9 -70.7 -34.4 5.9 64.6 25.0 119 144 A F H X S+ 0 0 0 -4,-2.9 4,-1.8 2,-0.2 -1,-0.2 0.944 111.1 43.5 -56.4 -50.6 8.2 62.2 27.0 120 145 A K H X S+ 0 0 104 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.871 111.4 55.7 -62.1 -35.9 5.1 60.3 28.2 121 146 A K H X S+ 0 0 44 -4,-2.4 4,-2.7 -5,-0.2 -1,-0.2 0.896 104.7 51.7 -64.3 -39.8 3.6 60.4 24.8 122 147 A L H X S+ 0 0 3 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.921 113.0 46.0 -59.7 -45.8 6.7 58.8 23.3 123 148 A I H X S+ 0 0 11 -4,-1.8 4,-3.7 2,-0.2 -98,-0.3 0.894 112.5 50.4 -63.0 -44.6 6.4 56.0 25.9 124 149 A E H X S+ 0 0 85 -4,-2.8 4,-2.9 2,-0.2 -2,-0.2 0.953 109.4 49.8 -62.6 -45.5 2.7 55.7 25.3 125 150 A I H <>S+ 0 0 0 -4,-2.7 5,-2.2 1,-0.2 4,-0.4 0.945 115.5 44.7 -55.9 -48.7 3.2 55.4 21.5 126 151 A Y H ><5S+ 0 0 1 -4,-2.4 3,-1.7 -5,-0.2 -2,-0.2 0.964 113.7 49.8 -55.2 -58.2 5.8 52.7 22.2 127 152 A N H 3<5S+ 0 0 31 -4,-3.7 -2,-0.2 1,-0.3 -3,-0.2 0.898 106.9 54.0 -53.0 -42.4 3.6 50.9 24.8 128 153 A Q T 3<5S- 0 0 86 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.503 119.5-109.1 -75.1 -10.8 0.5 50.8 22.6 129 154 A G T < 5 + 0 0 17 -3,-1.7 34,-0.4 -4,-0.4 2,-0.4 0.740 60.4 155.7 96.1 25.0 2.5 49.1 19.9 130 155 A I < - 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0 0 0 -5,-3.3 36,-2.6 -6,-0.1 2,-0.2 -0.552 30.6-109.5 -77.6 151.4 28.2 75.6 -15.6 745 257 B K B -q 780 0M 7 -2,-0.2 36,-0.2 34,-0.2 61,-0.1 -0.593 19.4-159.8 -81.5 144.7 30.1 76.5 -18.8 746 258 B T S > S+ 0 0 28 34,-1.6 3,-3.1 -2,-0.2 4,-0.3 0.686 74.5 85.4 -99.0 -20.7 29.6 74.3 -21.9 747 259 B K G > S+ 0 0 108 33,-0.5 3,-2.0 1,-0.3 6,-0.2 0.848 81.2 63.5 -54.6 -36.4 32.7 75.1 -23.8 748 260 B P G 3 S+ 0 0 23 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.611 100.4 56.4 -58.4 -13.3 34.8 72.5 -21.9 749 261 B F G < S+ 0 0 0 -3,-3.1 21,-0.3 17,-0.1 -2,-0.2 0.332 75.9 129.2 -95.9 -4.7 32.5 69.9 -23.5 750 262 B E X> - 0 0 78 -3,-2.0 3,-1.8 -4,-0.3 4,-1.4 -0.383 62.2-134.2 -58.2 126.4 33.3 70.9 -27.1 751 263 B P H 3> S+ 0 0 16 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.836 99.5 68.7 -49.8 -36.6 34.2 67.8 -29.1 752 264 B A H 34 S+ 0 0 60 1,-0.2 4,-0.2 2,-0.2 -2,-0.1 0.827 101.3 42.8 -59.1 -35.9 37.2 69.7 -30.6 753 265 B V H X4 S+ 0 0 69 -3,-1.8 3,-1.5 -6,-0.2 -1,-0.2 0.875 111.7 56.2 -81.4 -31.5 39.1 69.8 -27.3 754 266 B H H >< S+ 0 0 2 -4,-1.4 3,-2.0 1,-0.3 5,-0.2 0.807 94.2 66.6 -64.6 -22.3 38.2 66.1 -26.5 755 267 B R T 3< S+ 0 0 161 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.617 83.1 77.1 -80.7 -3.7 39.7 65.0 -29.8 756 268 B M T < S+ 0 0 153 -3,-1.5 -1,-0.3 -4,-0.2 -2,-0.2 0.556 95.7 51.7 -82.1 -1.7 43.0 66.1 -28.3 757 269 B K S < S- 0 0 105 -3,-2.0 6,-0.1 2,-0.1 -1,-0.0 -0.998 83.6-138.2-116.5 146.0 42.9 62.8 -26.3 758 270 B P + 0 0 131 0, 0.0 2,-0.4 0, 0.0 -3,-0.1 0.394 62.0 126.2 -81.7 14.2 42.3 59.6 -28.2 759 271 B H > - 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0 0 56 0, 0.0 2,-0.2 0, 0.0 -26,-0.1 -0.456 38.5 -86.5 -80.7 160.1 7.0 69.3 -6.9 1004 516 B Y - 0 0 56 -2,-0.1 2,-0.8 -5,-0.1 -27,-0.0 -0.505 53.3-130.5 -52.5 132.8 9.2 72.3 -6.3 1005 517 B L + 0 0 11 -2,-0.2 -1,-0.1 1,-0.1 -94,-0.0 -0.857 44.4 158.1-103.7 106.0 9.6 72.3 -2.5 1006 518 B E S S+ 0 0 122 -2,-0.8 2,-0.3 -105,-0.1 -1,-0.1 0.345 70.4 53.1-104.9 8.1 8.9 75.6 -0.8 1007 519 B E S S- 0 0 145 2,-0.0 2,-0.4 -929,-0.0 -99,-0.0 -0.954 96.9 -98.1-133.0 150.6 8.1 73.9 2.5 1008 520 B D + 0 0 10 -2,-0.3 2,-0.3 -3,-0.0 -926,-0.1 -0.565 54.2 161.8 -69.6 127.4 10.1 71.4 4.4 1009 521 B K - 0 0 92 -2,-0.4 2,-0.1 -99,-0.2 -931,-0.0 -0.998 46.1 -98.9-147.3 143.1 8.9 67.9 3.7 1010 522 B T - 0 0 15 -2,-0.3 4,-0.2 1,-0.1 3,-0.2 -0.413 30.8-164.8 -56.7 129.8 10.3 64.3 4.1 1011 523 B I > + 0 0 6 -927,-0.8 4,-3.0 -930,-0.3 5,-0.3 0.400 56.0 108.2-103.3 4.6 11.6 63.3 0.8 1012 524 B S H > S+ 0 0 5 -928,-0.9 4,-1.8 1,-0.2 -924,-0.2 0.895 87.0 38.2 -45.8 -54.5 11.9 59.5 1.4 1013 525 B D H > S+ 0 0 67 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.822 113.4 55.5 -74.6 -27.8 9.0 58.6 -0.8 1014 526 B Y H > S+ 0 0 52 -4,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.928 110.2 47.0 -63.5 -44.2 9.8 61.2 -3.5 1015 527 B I H X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 5,-0.2 0.936 111.4 50.6 -60.5 -43.1 13.2 59.8 -3.8 1016 528 B E H X S+ 0 0 30 -4,-1.8 4,-2.2 -5,-0.3 -1,-0.2 0.907 109.2 52.2 -63.0 -45.1 11.8 56.2 -4.0 1017 529 B S H X S+ 0 0 31 -4,-2.5 4,-0.6 2,-0.2 5,-0.3 0.852 111.5 45.2 -63.3 -36.8 9.4 57.2 -6.8 1018 530 B I H ><>S+ 0 0 0 -4,-2.1 5,-1.9 2,-0.2 3,-1.0 0.931 113.2 50.0 -68.2 -46.2 12.2 58.8 -8.9 1019 531 B A H 3<5S+ 0 0 6 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.881 113.4 48.0 -57.2 -38.3 14.5 55.8 -8.4 1020 532 B Q H 3<5S+ 0 0 116 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.596 127.5 16.8 -83.2 -10.1 11.7 53.4 -9.4 1021 533 B T T X<5S+ 0 0 70 -3,-1.0 3,-2.2 -4,-0.6 -3,-0.2 0.622 126.9 35.6-124.5 -81.3 10.5 55.2 -12.6 1022 534 B V T 3 5S+ 0 0 17 -5,-0.3 -3,-0.2 1,-0.3 -4,-0.1 0.811 129.0 37.7 -50.7 -37.2 12.8 57.8 -14.2 1023 535 B L T 3 - 0 0 6 1,-0.2 3,-0.8 -307,-0.1 -1,-0.2 -0.699 64.9-176.3 -90.4 97.0 13.9 46.4 -15.2 1027 539 B S T 3 S+ 0 0 101 -2,-1.2 -1,-0.2 1,-0.2 -492,-0.0 0.714 74.7 67.1 -59.2 -23.4 11.5 46.7 -12.2 1028 540 B D T 3 0 0 68 1,-0.3 -1,-0.2 -3,-0.1 -421,-0.1 0.768 360.0 360.0 -81.1 -28.1 12.3 43.2 -11.0 1029 541 B I < 0 0 28 -3,-0.8 -1,-0.3 -310,-0.1 -2,-0.1 0.356 360.0 360.0 -83.2 360.0 15.9 43.8 -10.1 1030 !* 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 1031 1000 A X 0 0 13 0, 0.0 -705,-0.1 0, 0.0 -689,-0.1 0.000 360.0 360.0 360.0 360.0 23.7 69.2 14.9 1032 !* 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 1033 1000 B X 0 0 17 0, 0.0 -176,-0.1 0, 0.0 -192,-0.1 0.000 360.0 360.0 360.0 360.0 33.6 19.7 -12.0