==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 28-JAN-09 3G0T . COMPND 2 MOLECULE: PUTATIVE AMINOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PORPHYROMONAS GINGIVALIS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 872 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30155.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 651 74.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 6.4 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 68 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 109 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 298 34.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 33 3.8 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 2 2 4 0 0 1 6 1 0 5 3 6 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 4 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 PARALLEL BRIDGES PER LADDER . 2 4 2 4 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 ANTIPARALLEL BRIDGES PER LADDER . 4 0 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 0 A G 0 0 97 0, 0.0 2,-0.3 0, 0.0 42,-0.3 0.000 360.0 360.0 360.0 169.2 19.7 6.0 98.0 2 1 A X - 0 0 94 40,-3.2 2,-0.1 1,-0.0 4,-0.1 -0.798 360.0-134.3-107.3 146.6 22.5 3.5 98.6 3 2 A N - 0 0 141 -2,-0.3 41,-0.0 2,-0.1 -1,-0.0 -0.433 42.6 -44.9 -98.4 170.8 26.0 4.2 100.1 4 3 A F S S+ 0 0 37 -2,-0.1 2,-0.1 389,-0.1 389,-0.1 -0.674 107.1 42.4 -97.5 147.7 29.5 3.0 98.9 5 4 A P S S- 0 0 50 0, 0.0 388,-0.2 0, 0.0 2,-0.2 0.439 84.5-133.3 -73.9 156.0 30.7 0.4 98.0 6 5 A I - 0 0 5 386,-2.7 2,-0.1 385,-0.2 -2,-0.1 -0.490 37.5 -89.3 -69.8 146.2 27.8 -0.7 95.7 7 6 A D > - 0 0 50 -2,-0.2 4,-1.7 1,-0.1 5,-0.2 -0.363 27.3-138.1 -62.1 128.6 26.9 -4.4 96.3 8 7 A E H > S+ 0 0 72 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.810 102.0 57.8 -57.0 -31.7 28.9 -6.8 94.1 9 8 A K H > S+ 0 0 64 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.939 104.4 51.3 -65.7 -46.5 25.7 -8.9 93.3 10 9 A L H > S+ 0 0 29 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.915 110.7 48.7 -55.0 -44.3 23.9 -5.9 91.9 11 10 A I H X S+ 0 0 4 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.908 110.6 50.2 -65.9 -42.1 26.9 -5.1 89.6 12 11 A R H X S+ 0 0 67 -4,-2.2 4,-3.0 2,-0.2 5,-0.2 0.949 111.2 49.8 -60.3 -46.2 27.1 -8.8 88.4 13 12 A E H X S+ 0 0 119 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.921 112.5 45.2 -60.2 -46.9 23.3 -8.7 87.7 14 13 A K H X S+ 0 0 45 -4,-2.4 4,-1.0 2,-0.2 -1,-0.2 0.864 114.7 48.9 -67.3 -36.2 23.4 -5.5 85.7 15 14 A Q H >X>S+ 0 0 13 -4,-2.3 5,-2.4 -5,-0.2 3,-0.5 0.930 111.8 48.5 -65.5 -46.9 26.5 -6.6 83.8 16 15 A N H ><5S+ 0 0 107 -4,-3.0 3,-1.3 1,-0.2 -2,-0.2 0.913 106.8 57.0 -58.2 -44.5 24.9 -10.0 82.9 17 16 A E H 3<5S+ 0 0 116 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.791 112.3 41.8 -55.6 -32.6 21.8 -8.2 81.8 18 17 A L H <<5S- 0 0 37 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.423 113.1-121.8 -94.1 -1.7 24.0 -6.2 79.3 19 18 A H T <<5 + 0 0 170 -3,-1.3 2,-0.7 -4,-0.5 -3,-0.2 0.822 53.8 160.8 62.2 36.7 26.0 -9.4 78.4 20 19 A I < + 0 0 12 -5,-2.4 -1,-0.2 1,-0.2 3,-0.2 -0.808 15.5 173.8 -89.7 114.0 29.2 -7.8 79.4 21 20 A K S S+ 0 0 108 -2,-0.7 2,-0.5 1,-0.3 -1,-0.2 0.861 75.6 23.6 -85.8 -43.3 31.8 -10.5 80.0 22 21 A D >> - 0 0 62 1,-0.1 3,-1.9 0, 0.0 4,-0.5 -0.950 66.0-161.5-127.8 106.5 35.0 -8.4 80.7 23 22 A L G >4 S+ 0 0 4 -2,-0.5 3,-0.8 1,-0.3 -1,-0.1 0.826 91.2 62.6 -62.0 -29.1 34.1 -4.8 81.8 24 23 A G G 34 S+ 0 0 4 1,-0.2 377,-0.3 374,-0.1 -1,-0.3 0.662 111.5 38.7 -68.2 -16.2 37.6 -3.6 80.8 25 24 A X G <4 S+ 0 0 87 -3,-1.9 -1,-0.2 376,-0.1 -2,-0.2 0.337 87.9 124.0-112.0 0.8 36.7 -4.6 77.2 26 25 A A << - 0 0 26 -3,-0.8 -6,-0.0 -4,-0.5 -3,-0.0 -0.297 67.8-107.9 -63.7 144.1 33.1 -3.4 77.2 27 26 A S > - 0 0 60 1,-0.1 4,-2.6 4,-0.0 5,-0.2 -0.292 29.6-107.4 -68.0 162.6 32.2 -0.9 74.6 28 27 A I H > S+ 0 0 59 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.918 120.3 54.8 -60.4 -38.1 31.5 2.7 75.7 29 28 A R H > S+ 0 0 112 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.903 111.0 43.7 -58.6 -45.6 27.8 2.2 75.1 30 29 A D H > S+ 0 0 59 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.875 113.9 49.8 -70.6 -39.2 27.6 -0.8 77.3 31 30 A L H X S+ 0 0 5 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.948 114.0 46.1 -60.8 -48.1 29.8 0.8 80.0 32 31 A V H X S+ 0 0 35 -4,-3.0 4,-2.5 -5,-0.2 5,-0.2 0.923 113.2 49.8 -61.3 -43.5 27.5 3.9 79.9 33 32 A A H X S+ 0 0 27 -4,-2.6 4,-2.6 -5,-0.3 5,-0.2 0.932 110.1 51.1 -62.6 -43.4 24.4 1.8 80.0 34 33 A L H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.924 112.0 45.4 -58.4 -49.0 25.8 -0.2 83.0 35 34 A V H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.891 113.2 49.5 -64.4 -41.6 26.5 2.9 85.0 36 35 A T H X S+ 0 0 47 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.916 111.8 49.0 -66.3 -38.0 23.2 4.6 84.2 37 36 A N H X S+ 0 0 51 -4,-2.6 4,-1.9 -5,-0.2 -2,-0.2 0.856 113.9 47.3 -68.3 -34.1 21.3 1.3 85.2 38 37 A L H X S+ 0 0 0 -4,-2.1 4,-1.1 -5,-0.2 6,-0.3 0.871 110.4 51.3 -71.8 -39.4 23.4 1.2 88.4 39 38 A E H >X>S+ 0 0 37 -4,-2.7 4,-1.5 2,-0.2 5,-1.1 0.953 113.9 44.3 -57.6 -52.1 22.7 4.9 89.2 40 39 A K H 3<5S+ 0 0 89 -4,-2.3 3,-0.2 1,-0.2 -2,-0.2 0.873 114.3 49.8 -59.8 -43.1 19.0 4.4 88.7 41 40 A A H 3<5S+ 0 0 42 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.630 121.8 32.6 -74.7 -13.2 19.0 1.2 90.8 42 41 A T H <<5S- 0 0 4 -4,-1.1 -40,-3.2 -3,-0.7 -2,-0.2 0.443 98.3-122.7-122.3 -3.5 21.0 2.8 93.7 43 42 A G T <5S+ 0 0 61 -4,-1.5 2,-0.3 -42,-0.3 -3,-0.2 0.748 72.3 118.5 64.1 24.9 19.8 6.4 93.8 44 43 A T < - 0 0 19 -5,-1.1 2,-0.5 -6,-0.3 -1,-0.2 -0.753 61.4-132.1-116.7 162.0 23.4 7.7 93.4 45 44 A K - 0 0 82 -2,-0.3 2,-0.1 -3,-0.1 -9,-0.1 -0.985 26.3-141.0-111.2 122.0 25.2 9.9 90.8 46 45 A F - 0 0 3 -2,-0.5 2,-1.1 -11,-0.1 349,-0.2 -0.409 22.5-110.2 -72.8 158.2 28.5 8.4 89.7 47 46 A C E -a 395 0A 0 347,-2.5 349,-2.4 378,-0.1 2,-0.8 -0.850 42.3-157.9 -85.8 99.3 31.5 10.6 89.0 48 47 A R E +a 396 0A 74 -2,-1.1 3,-0.2 347,-0.2 349,-0.1 -0.746 33.7 152.3 -92.9 105.9 31.4 10.0 85.2 49 48 A X + 0 0 3 347,-2.8 365,-1.6 -2,-0.8 349,-0.3 0.127 47.0 95.0-116.8 17.1 34.9 10.7 83.7 50 49 A E + 0 0 2 347,-0.2 2,-0.7 363,-0.1 -1,-0.1 0.668 58.5 90.2 -85.1 -21.9 34.5 8.4 80.7 51 50 A X - 0 0 57 -3,-0.2 2,-1.7 363,-0.1 366,-0.4 -0.737 56.2-158.8 -93.7 117.0 33.3 10.7 77.9 52 51 A G + 0 0 13 -2,-0.7 -1,-0.1 364,-0.1 321,-0.0 -0.486 54.4 116.6 -87.0 67.1 35.8 12.5 75.7 53 52 A V S S- 0 0 28 -2,-1.7 364,-0.1 1,-0.0 460,-0.1 -0.867 73.4 -76.0-134.1 158.9 33.4 15.2 74.6 54 53 A P - 0 0 9 0, 0.0 460,-0.1 0, 0.0 206,-0.1 -0.296 32.0-174.6 -62.6 144.6 33.3 19.0 75.1 55 54 A G + 0 0 39 205,-0.1 205,-0.0 2,-0.1 458,-0.0 0.314 63.2 75.1-117.3 3.8 32.2 20.3 78.5 56 55 A L S S- 0 0 39 456,-0.1 2,-0.1 1,-0.1 281,-0.0 -0.749 88.9 -95.6-114.6 157.6 32.2 24.0 77.6 57 56 A P - 0 0 102 0, 0.0 -2,-0.1 0, 0.0 3,-0.1 -0.399 45.2 -95.7 -73.4 154.5 29.6 25.9 75.5 58 57 A A - 0 0 11 448,-0.1 205,-0.2 1,-0.1 454,-0.1 -0.419 53.9 -94.7 -63.1 140.2 30.1 26.6 71.7 59 58 A P >> - 0 0 11 0, 0.0 4,-1.8 0, 0.0 3,-0.9 -0.336 24.8-129.2 -61.9 140.2 31.6 30.0 71.1 60 59 A Q H 3> S+ 0 0 119 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.847 105.5 63.1 -59.5 -35.1 29.1 32.7 70.4 61 60 A I H 3> S+ 0 0 63 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.869 107.5 43.7 -58.4 -36.8 31.0 33.8 67.3 62 61 A G H <> S+ 0 0 0 -3,-0.9 4,-2.5 2,-0.2 5,-0.2 0.980 116.4 44.9 -71.5 -52.9 30.3 30.4 65.7 63 62 A I H X S+ 0 0 3 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.887 114.2 48.1 -58.6 -45.8 26.7 30.2 66.7 64 63 A E H X S+ 0 0 71 -4,-3.1 4,-2.5 2,-0.2 -1,-0.2 0.841 110.0 52.1 -70.4 -32.5 25.8 33.8 65.8 65 64 A T H X S+ 0 0 22 -4,-1.2 4,-2.7 -5,-0.3 -1,-0.2 0.920 109.7 49.5 -68.5 -43.7 27.5 33.4 62.4 66 65 A E H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.932 111.3 50.4 -57.9 -43.2 25.5 30.3 61.6 67 66 A I H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.955 111.5 46.4 -61.0 -50.1 22.3 32.1 62.7 68 67 A Q H X S+ 0 0 110 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.918 114.3 48.7 -57.6 -43.2 23.1 35.1 60.4 69 68 A K H X>S+ 0 0 36 -4,-2.7 5,-2.3 2,-0.2 4,-1.1 0.838 108.5 52.1 -70.8 -33.1 23.9 32.8 57.5 70 69 A L H ><5S+ 0 0 5 -4,-2.7 3,-0.5 1,-0.2 5,-0.3 0.924 111.6 48.0 -66.7 -43.0 20.8 30.7 57.9 71 70 A R H 3<5S+ 0 0 134 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.853 109.9 53.6 -63.2 -35.1 18.8 33.9 57.8 72 71 A E H 3<5S- 0 0 136 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.663 124.9 -97.6 -75.0 -21.0 20.7 35.0 54.7 73 72 A G T X<5S+ 0 0 23 -4,-1.1 3,-1.3 -3,-0.5 -3,-0.2 0.558 77.7 132.3 121.6 9.7 19.9 31.8 52.8 74 73 A V G > < + 0 0 12 -5,-2.3 3,-1.4 1,-0.2 239,-0.2 0.727 65.6 72.0 -67.0 -23.0 22.8 29.3 53.0 75 74 A A G 3 S+ 0 0 0 -5,-0.3 627,-1.8 -6,-0.3 628,-1.0 0.771 99.4 46.7 -62.9 -26.5 20.5 26.3 53.9 76 75 A S G < S+ 0 0 19 -3,-1.3 2,-0.5 625,-0.2 -1,-0.2 0.287 101.1 80.1 -97.7 9.7 19.1 26.2 50.3 77 76 A I S < S- 0 0 96 -3,-1.4 236,-0.1 -4,-0.1 3,-0.1 -0.964 78.7-128.1-124.1 118.5 22.5 26.4 48.6 78 77 A Y - 0 0 43 -2,-0.5 624,-0.2 412,-0.1 3,-0.1 -0.413 38.0-107.6 -57.1 136.4 24.9 23.5 48.1 79 78 A P - 0 0 9 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 -0.364 47.5 -82.6 -62.0 148.3 28.3 24.4 49.4 80 79 A N > - 0 0 97 1,-0.1 3,-1.8 2,-0.1 4,-0.0 -0.166 41.7-111.6 -46.4 147.5 31.0 24.9 46.8 81 80 A L T 3 S+ 0 0 66 1,-0.3 -1,-0.1 -3,-0.1 3,-0.1 0.809 118.1 42.3 -54.6 -38.7 32.6 21.7 45.5 82 81 A D T 3 S- 0 0 43 1,-0.3 -1,-0.3 27,-0.0 2,-0.1 0.431 127.1 -89.7 -90.1 1.0 36.0 22.5 47.1 83 82 A G < - 0 0 6 -3,-1.8 -1,-0.3 26,-0.1 -3,-0.1 -0.325 64.8 -40.9 108.3 163.6 34.4 23.8 50.3 84 83 A L >> - 0 0 7 1,-0.2 4,-2.1 -2,-0.1 3,-0.8 -0.494 55.6-137.2 -62.3 122.8 33.2 27.2 51.5 85 84 A P H 3> S+ 0 0 60 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.862 101.7 54.3 -51.2 -42.4 35.9 29.6 50.2 86 85 A E H 3> S+ 0 0 81 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.852 108.0 48.6 -60.9 -39.0 35.9 31.5 53.5 87 86 A L H <> S+ 0 0 0 -3,-0.8 4,-2.7 2,-0.2 5,-0.2 0.923 112.6 48.8 -67.8 -42.3 36.6 28.4 55.5 88 87 A K H X S+ 0 0 19 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.926 114.4 46.0 -60.4 -45.2 39.4 27.4 53.1 89 88 A Q H X S+ 0 0 95 -4,-3.0 4,-2.2 -5,-0.2 -2,-0.2 0.914 114.1 46.7 -67.2 -43.8 40.9 30.9 53.4 90 89 A E H X S+ 0 0 23 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.857 110.7 52.7 -69.2 -33.6 40.6 31.1 57.2 91 90 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.895 108.7 50.8 -65.2 -42.0 42.1 27.6 57.6 92 91 A S H X S+ 0 0 25 -4,-2.0 4,-1.7 -5,-0.2 11,-0.4 0.924 112.1 46.5 -60.0 -46.3 45.1 28.7 55.4 93 92 A R H X S+ 0 0 68 -4,-2.2 4,-3.2 1,-0.2 5,-0.2 0.894 110.3 54.1 -61.7 -37.3 45.6 31.8 57.6 94 93 A F H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 5,-0.5 0.889 105.2 53.1 -66.8 -40.6 45.2 29.7 60.7 95 94 A A H X>S+ 0 0 0 -4,-2.3 6,-1.7 3,-0.2 4,-1.5 0.910 115.2 42.1 -59.4 -40.8 48.0 27.3 59.5 96 95 A K H X5S+ 0 0 84 -4,-1.7 4,-0.7 4,-0.3 -2,-0.2 0.945 120.4 40.1 -71.1 -47.3 50.3 30.3 59.0 97 96 A L H <5S+ 0 0 37 -4,-3.2 140,-2.6 1,-0.2 141,-0.5 0.720 129.8 25.5 -79.9 -20.1 49.4 32.2 62.2 98 97 A F H <5S+ 0 0 2 -4,-2.4 144,-2.5 -5,-0.2 -3,-0.2 0.592 136.4 25.5-119.9 -19.1 49.2 29.2 64.6 99 98 A V H <5S- 0 0 2 -4,-1.5 -3,-0.2 -5,-0.5 -2,-0.1 0.481 93.0-130.2-116.7 -12.2 51.5 26.5 63.1 100 99 A N << + 0 0 64 -5,-0.7 2,-0.3 -4,-0.7 -4,-0.3 0.844 65.1 127.3 59.5 39.8 53.8 28.9 61.1 101 100 A I - 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0 0 28 -4,-0.2 3,-2.0 3,-0.1 -1,-0.2 -0.784 64.0-172.7-142.4 92.3 51.1 2.7 46.2 130 129 A K T 3 S+ 0 0 172 -2,-0.3 -1,-0.1 -3,-0.3 -2,-0.1 0.708 83.0 63.6 -60.6 -24.0 49.2 -0.4 45.2 131 130 A N T 3 S+ 0 0 129 2,-0.0 2,-0.5 0, 0.0 -1,-0.3 0.429 83.3 93.2 -80.3 -1.2 52.4 -2.6 45.5 132 131 A R < - 0 0 44 -3,-2.0 50,-0.1 1,-0.1 -3,-0.1 -0.828 68.6-147.5 -97.6 133.6 52.6 -1.9 49.3 133 132 A E S S+ 0 0 104 -2,-0.5 23,-0.4 50,-0.1 2,-0.2 0.764 74.5 46.0 -69.9 -32.9 50.9 -4.5 51.5 134 133 A Y - 0 0 58 48,-2.7 23,-0.2 1,-0.2 3,-0.1 -0.717 56.9-158.8-111.9 163.9 49.8 -2.2 54.4 135 134 A G + 0 0 2 21,-3.1 49,-2.9 1,-0.3 50,-1.9 0.680 68.2 18.7 -96.0 -95.8 48.1 1.2 54.7 136 135 A T E -c 185 0B 0 20,-0.3 22,-1.9 48,-0.2 2,-0.6 -0.541 50.5-151.9 -91.2 142.6 48.7 2.9 58.0 137 136 A L E -cd 186 158B 0 48,-2.2 50,-1.8 -2,-0.2 2,-0.5 -0.963 26.0-147.1-104.2 113.7 51.2 2.5 60.8 138 137 A F E -cd 187 159B 4 20,-3.3 22,-1.6 -2,-0.6 2,-1.1 -0.757 8.1-152.3 -85.8 120.8 49.5 3.7 64.0 139 138 A I E - d 0 160B 5 48,-2.6 50,-0.3 -2,-0.5 22,-0.2 -0.848 50.2-131.8 -88.6 96.7 51.7 5.3 66.7 140 139 A D E S+ d 0 161B 5 20,-2.7 22,-2.5 -2,-1.1 2,-0.2 -0.353 83.4 76.6 -91.6 172.8 49.4 4.2 69.6 141 140 A P S S+ 0 0 1 0, 0.0 263,-0.2 0, 0.0 54,-0.2 0.605 84.8 134.4 -62.0 149.8 47.8 4.6 72.1 142 141 A G - 0 0 8 261,-2.3 2,-0.7 -2,-0.2 263,-0.1 -0.627 58.3 -49.7-148.7-156.1 45.2 6.2 69.8 143 142 A F >> - 0 0 43 -2,-0.2 3,-1.6 1,-0.1 4,-0.6 -0.836 38.5-153.1-101.9 108.4 41.6 6.5 68.8 144 143 A N H >> S+ 0 0 79 -2,-0.7 4,-1.4 1,-0.3 3,-0.8 0.777 89.4 70.0 -59.9 -26.7 40.1 3.1 68.2 145 144 A L H 3> S+ 0 0 10 1,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.850 91.6 62.7 -58.3 -32.3 37.5 4.5 65.6 146 145 A N H <> S+ 0 0 7 -3,-1.6 4,-1.8 1,-0.2 -1,-0.3 0.856 101.9 49.8 -61.5 -37.9 40.5 5.0 63.3 147 146 A K H S+ 0 0 0 -4,-1.8 5,-2.5 2,-0.2 4,-0.5 0.900 112.9 53.2 -62.6 -40.4 40.8 1.0 58.1 151 150 A R H ><5S+ 0 0 112 -4,-2.4 3,-1.2 1,-0.2 -2,-0.2 0.928 108.5 48.0 -60.3 -48.9 39.0 -2.2 58.7 152 151 A I H 3<5S+ 0 0 1 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.892 111.2 51.9 -57.9 -41.0 35.9 -1.0 56.8 153 152 A L H 3<5S- 0 0 22 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.537 112.3-122.7 -74.5 -6.1 38.2 0.1 54.0 154 153 A G T <<5 + 0 0 65 -3,-1.2 2,-0.5 -4,-0.5 -3,-0.2 0.775 63.1 145.0 70.3 27.0 39.8 -3.4 53.9 155 154 A Q < - 0 0 23 -5,-2.5 -1,-0.2 -6,-0.1 -2,-0.1 -0.870 45.9-133.3-105.3 120.8 43.2 -1.9 54.6 156 155 A K + 0 0 122 -2,-0.5 -21,-3.1 -23,-0.4 2,-0.3 -0.340 30.1 180.0 -70.8 151.0 45.8 -3.7 56.7 157 156 A F - 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0 0 1 -44,-0.3 4,-2.1 -2,-0.3 -481,-0.2 -0.142 44.9-138.0 -45.6 125.1 25.2 18.2 61.9 749 312 B H H > S+ 0 0 12 -483,-3.0 4,-1.7 1,-0.2 -482,-0.1 0.885 100.0 47.9 -62.7 -44.4 23.2 18.4 65.0 750 313 B S H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.911 111.5 52.8 -62.5 -37.5 21.3 21.6 64.2 751 314 B A H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.855 103.7 55.4 -67.9 -36.0 20.5 20.2 60.7 752 315 B Q H X S+ 0 0 1 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.904 109.6 48.3 -60.4 -40.6 19.0 17.1 62.2 753 316 B W H X S+ 0 0 40 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.888 108.6 53.4 -66.9 -40.5 16.7 19.3 64.2 754 317 B G H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.935 112.4 43.8 -59.6 -47.6 15.8 21.4 61.1 755 318 B X H X S+ 0 0 1 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.912 111.8 53.3 -64.4 -43.4 14.8 18.3 59.2 756 319 B A H X S+ 0 0 4 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.910 110.3 48.6 -56.9 -43.3 12.9 16.8 62.2 757 320 B A H X S+ 0 0 18 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.901 111.9 48.2 -66.1 -41.6 10.9 20.1 62.5 758 321 B X H X S+ 0 0 1 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.921 113.8 45.8 -66.3 -45.7 10.1 20.1 58.8 759 322 B L H X S+ 0 0 0 -4,-2.8 4,-3.0 2,-0.2 -2,-0.2 0.920 112.7 51.7 -61.9 -45.2 8.9 16.5 58.7 760 323 B K H X S+ 0 0 91 -4,-2.5 4,-2.6 -5,-0.3 6,-0.2 0.912 106.9 52.9 -58.1 -43.7 6.9 17.0 61.9 761 324 B A H <>S+ 0 0 5 -4,-2.3 5,-2.4 2,-0.2 6,-1.4 0.860 112.2 45.3 -60.1 -39.6 5.2 20.0 60.4 762 325 B C H ><5S+ 0 0 1 -4,-1.7 3,-1.2 4,-0.2 -2,-0.2 0.928 113.6 50.0 -66.0 -46.9 4.2 17.9 57.4 763 326 B N H 3<5S+ 0 0 8 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.863 113.0 46.2 -58.5 -40.1 3.1 15.0 59.6 764 327 B D T 3<5S- 0 0 55 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.448 113.7-115.5 -85.3 -5.1 1.0 17.3 61.7 765 328 B G T < 5S+ 0 0 52 -3,-1.2 -3,-0.2 -4,-0.3 -4,-0.1 0.639 85.4 114.2 78.5 18.5 -0.6 19.1 58.8 766 329 B E S - 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0 0 0 -2,-0.4 2,-0.2 -348,-0.2 -347,-0.2 -0.938 44.3-103.4-157.2 173.3 21.8 22.9 29.9 834 397 B I E -W 848 0I 33 14,-1.3 14,-2.6 -349,-0.3 2,-0.1 -0.677 23.3-127.5-105.0 160.5 23.5 19.5 30.3 835 398 B T E -W 847 0I 11 12,-0.3 3,-0.3 -2,-0.2 12,-0.2 -0.413 20.0-123.8 -88.9 175.7 23.6 16.5 28.0 836 399 B L S > >S+ 0 0 3 10,-1.5 3,-2.1 7,-0.2 5,-0.8 0.273 77.3 114.3 -99.8 13.1 22.7 13.0 29.2 837 400 B K T 3 5S+ 0 0 37 -377,-0.3 3,-0.3 1,-0.3 -1,-0.1 0.745 80.2 39.5 -58.4 -32.7 26.1 11.5 28.1 838 401 B T T 3 5S+ 0 0 73 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.176 99.4 78.5-102.2 19.9 27.2 10.7 31.7 839 402 B T T < 5S- 0 0 10 -3,-2.1 -261,-2.2 2,-0.2 -1,-0.2 0.450 107.8-104.8-105.3 -2.5 23.8 9.4 32.9 840 403 B G T 5S+ 0 0 15 1,-0.3 2,-0.2 -3,-0.3 -264,-0.2 0.399 75.9 139.6 91.6 -5.3 23.8 5.9 31.4 841 404 B S < - 0 0 7 -5,-0.8 -1,-0.3 1,-0.1 -2,-0.2 -0.539 43.4-161.0 -70.4 139.9 21.3 7.1 28.7 842 405 B K + 0 0 150 -2,-0.2 2,-1.5 -3,-0.1 -1,-0.1 0.219 66.2 105.4-100.1 7.9 21.9 5.7 25.2 843 406 B R > - 0 0 79 1,-0.2 3,-1.9 -7,-0.1 -7,-0.2 -0.704 50.8-178.1 -88.0 86.4 19.7 8.5 23.8 844 407 B N T 3 S+ 0 0 81 -2,-1.5 -25,-3.0 1,-0.3 -24,-0.3 0.588 73.9 61.7 -69.1 -9.6 22.6 10.5 22.5 845 408 B E T 3 S+ 0 0 23 -27,-0.3 -31,-0.4 -26,-0.1 -1,-0.3 0.565 85.4 111.2 -85.4 -10.9 20.3 13.3 21.2 846 409 B A < - 0 0 0 -3,-1.9 -10,-1.5 -33,-0.1 2,-0.3 -0.402 41.1-177.1 -84.7 140.3 19.1 14.1 24.7 847 410 B X E -VW 812 835I 0 -35,-2.2 -35,-1.8 -12,-0.2 2,-0.5 -0.897 24.1-129.1-119.6 153.9 19.6 17.1 26.9 848 411 B R E -VW 811 834I 19 -14,-2.6 -14,-1.3 -2,-0.3 2,-0.5 -0.928 19.5-162.1-105.1 124.9 18.3 17.6 30.5 849 412 B I E -V 810 0I 0 -39,-3.3 -39,-1.8 -2,-0.5 2,-0.4 -0.915 4.6-155.4-104.3 131.7 16.5 20.9 31.1 850 413 B C E -V 809 0I 1 -365,-1.7 4,-0.2 -2,-0.5 -41,-0.2 -0.897 7.9-162.2-106.7 142.2 16.1 22.0 34.8 851 414 B T + 0 0 0 -43,-2.2 -42,-0.1 -2,-0.4 -1,-0.1 0.385 66.9 87.3-102.0 4.0 13.2 24.3 35.7 852 415 B S S S+ 0 0 5 -44,-0.5 -1,-0.1 -365,-0.2 -364,-0.1 0.988 91.5 24.3 -75.8 -62.5 14.5 25.5 39.1 853 416 B L S S+ 0 0 82 -366,-0.4 -1,-0.1 -364,-0.1 -368,-0.1 0.799 87.0 105.9 -82.4 -26.4 16.8 28.5 38.8 854 417 B L S S- 0 0 2 -4,-0.2 2,-0.1 -370,-0.1 -371,-0.1 -0.314 70.7-130.8 -59.5 118.6 15.7 30.1 35.5 855 418 B P > - 0 0 59 0, 0.0 3,-2.3 0, 0.0 4,-0.4 -0.426 8.7-127.4 -72.8 142.1 13.7 33.2 36.5 856 419 B E G > S+ 0 0 120 1,-0.3 3,-1.6 2,-0.2 -2,-0.1 0.813 109.1 68.1 -53.5 -31.3 10.3 33.8 34.9 857 420 B S G 3 S+ 0 0 99 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.718 98.9 51.1 -63.8 -18.9 11.5 37.2 33.9 858 421 B Q G <> S+ 0 0 19 -3,-2.3 4,-2.3 1,-0.2 3,-0.3 0.458 82.2 94.9 -94.9 -4.9 14.0 35.5 31.5 859 422 B F H <> S+ 0 0 9 -3,-1.6 4,-2.4 -4,-0.4 5,-0.2 0.869 80.3 55.1 -53.6 -43.3 11.3 33.4 29.9 860 423 B P H > S+ 0 0 73 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.906 109.8 48.1 -58.6 -37.7 10.8 35.9 27.0 861 424 B D H > S+ 0 0 54 -3,-0.3 4,-2.4 -4,-0.2 -2,-0.2 0.893 108.7 53.4 -68.8 -40.6 14.5 35.6 26.3 862 425 B L H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.954 110.8 46.8 -56.5 -47.3 14.4 31.7 26.4 863 426 B E H X S+ 0 0 65 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.927 112.7 48.6 -63.6 -43.4 11.5 31.7 23.8 864 427 B K H X S+ 0 0 117 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.878 112.7 48.8 -63.4 -40.8 13.3 34.2 21.5 865 428 B R H X S+ 0 0 15 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.877 110.4 50.0 -67.1 -38.6 16.5 32.2 21.7 866 429 B L H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.874 110.3 51.7 -67.6 -38.2 14.7 29.0 21.0 867 430 B Q H X S+ 0 0 96 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.923 112.2 45.5 -60.3 -44.3 13.1 30.7 18.0 868 431 B X H X S+ 0 0 72 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.917 112.0 51.5 -68.1 -40.1 16.5 31.8 16.7 869 432 B L H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.938 113.0 45.1 -60.5 -47.5 18.0 28.4 17.2 870 433 B N H < S+ 0 0 49 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.855 107.9 57.5 -67.1 -34.0 15.2 26.7 15.3 871 434 B A H < S+ 0 0 91 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.886 109.2 46.4 -62.9 -38.4 15.3 29.4 12.5 872 435 B E H < 0 0 78 -4,-2.0 -2,-0.2 -5,-0.1 -1,-0.2 0.931 360.0 360.0 -68.0 -48.0 19.0 28.4 12.0 873 436 B G < 0 0 39 -4,-2.3 -2,-0.1 -5,-0.2 -1,-0.1 0.059 360.0 360.0 84.5 360.0 17.9 24.7 12.2