==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-OCT-03 1UR8 . COMPND 2 MOLECULE: CHITINASE B; . SOURCE 2 ORGANISM_SCIENTIFIC: SERRATIA MARCESCENS; . AUTHOR G.VAAJE-KOLSTAD,A.VASELLA,M.G.PETER,C.NETTER,D.R.HOUSTON, . 993 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36716.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 648 65.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 100 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 82 8.3 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 . 2 0.2 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 . 71 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 114 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 227 22.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.4 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 7 1 4 0 3 1 3 2 1 0 0 0 0 2 0 0 1 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 2 4 8 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 PARALLEL BRIDGES PER LADDER . 6 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 4 0 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 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 3 A T 0 0 182 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 140.0 29.6 64.9 114.9 2 4 A R - 0 0 95 1,-0.1 2,-0.2 395,-0.0 419,-0.1 -0.269 360.0-116.8 -57.4 137.9 28.6 61.4 116.0 3 5 A K - 0 0 48 414,-0.1 394,-0.3 1,-0.1 2,-0.1 -0.522 31.2-111.2 -74.6 142.1 28.6 58.7 113.3 4 6 A A E -a 397 0A 3 392,-2.7 394,-2.8 -2,-0.2 2,-0.4 -0.483 25.1-164.7 -72.7 144.6 25.2 57.2 112.4 5 7 A V E -a 398 0A 0 392,-0.2 38,-2.8 -2,-0.1 39,-2.0 -0.885 14.3-174.7-132.6 98.7 24.7 53.5 113.5 6 8 A I E -ab 399 44A 1 392,-2.4 394,-2.3 -2,-0.4 2,-0.8 -0.851 7.7-168.7-105.0 108.7 21.7 52.3 111.6 7 9 A G E -ab 400 45A 0 37,-3.0 39,-2.0 -2,-0.7 394,-0.1 -0.839 11.7-150.6-102.8 108.6 20.4 48.9 112.3 8 10 A Y E - b 0 46A 2 392,-2.3 395,-2.9 -2,-0.8 394,-0.4 -0.488 16.7-160.2 -62.3 148.0 17.7 47.6 109.9 9 11 A Y E - b 0 47A 1 37,-2.6 39,-2.6 393,-0.2 2,-0.5 -0.926 2.8-161.0-138.1 110.0 15.6 45.2 112.0 10 12 A F E + b 0 48A 71 -2,-0.4 39,-0.2 37,-0.2 394,-0.1 -0.821 15.3 173.1-104.2 124.9 13.5 42.6 110.1 11 13 A I - 0 0 3 37,-1.7 5,-0.1 -2,-0.5 -2,-0.0 -0.963 29.1-135.5-127.9 106.3 10.6 40.8 111.7 12 14 A P >> - 0 0 41 0, 0.0 4,-1.6 0, 0.0 3,-1.2 -0.253 26.9-106.6 -60.6 152.6 8.7 38.7 109.1 13 15 A T H 3> S+ 0 0 25 1,-0.3 4,-3.0 2,-0.2 52,-0.3 0.844 119.6 58.9 -50.8 -38.6 4.9 39.0 109.2 14 16 A N H 3> S+ 0 0 66 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.874 106.6 48.5 -61.1 -35.8 4.6 35.5 110.8 15 17 A Q H <4 S+ 0 0 29 -3,-1.2 -1,-0.2 2,-0.2 -2,-0.2 0.832 110.5 50.5 -73.9 -30.1 6.7 36.7 113.7 16 18 A I H >< S+ 0 0 5 -4,-1.6 3,-1.6 1,-0.2 -2,-0.2 0.971 112.3 47.1 -68.5 -50.8 4.6 39.8 114.1 17 19 A N H 3< S+ 0 0 46 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.784 124.5 32.0 -60.7 -29.5 1.4 37.8 114.1 18 20 A N T 3< S+ 0 0 99 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.016 87.8 167.2-117.4 28.7 2.8 35.3 116.6 19 21 A Y < + 0 0 25 -3,-1.6 2,-0.3 2,-0.1 -3,-0.1 -0.110 1.1 157.2 -50.2 132.7 5.0 37.7 118.5 20 22 A T - 0 0 35 -5,-0.1 3,-0.2 3,-0.1 7,-0.1 -0.977 35.8-153.8-155.1 144.4 6.4 36.5 121.8 21 23 A E S S+ 0 0 61 -2,-0.3 3,-0.1 1,-0.1 -2,-0.1 0.220 91.1 55.9-105.9 15.0 9.5 37.5 123.8 22 24 A T S S+ 0 0 134 1,-0.2 2,-0.2 0, 0.0 -1,-0.1 0.267 94.2 61.6-131.1 15.0 9.9 34.2 125.5 23 25 A D >> - 0 0 76 -3,-0.2 3,-3.3 4,-0.2 4,-2.1 -0.653 49.5-174.1-145.0 85.5 10.2 31.6 122.7 24 26 A T T 34 S+ 0 0 85 1,-0.3 -1,-0.1 2,-0.2 -3,-0.0 0.526 86.0 73.0 -56.4 -2.7 13.2 32.0 120.3 25 27 A S T 34 S+ 0 0 73 2,-0.2 -1,-0.3 1,-0.1 -2,-0.0 0.788 110.5 25.3 -81.4 -29.0 11.6 29.2 118.5 26 28 A V T <4 S+ 0 0 50 -3,-3.3 -2,-0.2 1,-0.3 -8,-0.1 0.801 141.4 20.9-100.5 -44.3 8.8 31.5 117.3 27 29 A V < - 0 0 1 -4,-2.1 -1,-0.3 1,-0.1 -4,-0.2 -0.908 70.0-169.8-128.0 98.2 10.6 34.9 117.4 28 30 A P S S+ 0 0 24 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.858 83.3 22.7 -57.4 -38.7 14.3 34.2 117.3 29 31 A F S S- 0 0 8 -5,-0.0 2,-0.1 3,-0.0 375,-0.1 -0.723 80.3-179.4-134.0 84.9 15.3 37.8 118.1 30 32 A P > - 0 0 3 0, 0.0 3,-2.7 0, 0.0 4,-0.3 -0.419 44.5 -99.6 -82.7 164.4 12.5 39.8 119.8 31 33 A V G > S+ 0 0 6 1,-0.3 3,-2.5 2,-0.2 -10,-0.1 0.775 115.7 73.0 -50.3 -33.8 12.7 43.4 120.9 32 34 A S G 3 S+ 0 0 57 1,-0.3 -1,-0.3 3,-0.0 -11,-0.0 0.727 83.3 69.8 -57.8 -20.8 13.5 42.4 124.4 33 35 A N G < S+ 0 0 32 -3,-2.7 2,-1.5 1,-0.2 -1,-0.3 0.741 81.6 83.4 -67.6 -20.0 17.0 41.4 123.2 34 36 A I S < S- 0 0 7 -3,-2.5 -1,-0.2 -4,-0.3 -3,-0.0 -0.651 72.0-172.3 -88.3 88.1 17.6 45.1 122.7 35 37 A T > - 0 0 59 -2,-1.5 4,-2.5 1,-0.1 5,-0.2 -0.109 40.8 -96.0 -71.8 172.0 18.6 46.2 126.2 36 38 A P H > S+ 0 0 61 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.890 126.4 54.0 -57.7 -39.7 19.1 49.8 127.3 37 39 A A H > S+ 0 0 59 1,-0.2 4,-0.6 2,-0.2 3,-0.1 0.903 110.7 45.0 -62.3 -43.5 22.8 49.4 126.7 38 40 A K H >> S+ 0 0 22 1,-0.2 3,-0.8 2,-0.2 4,-0.8 0.866 107.4 59.0 -69.3 -34.8 22.2 48.2 123.1 39 41 A A H >< S+ 0 0 0 -4,-2.5 3,-0.6 1,-0.3 -1,-0.2 0.866 104.0 52.9 -60.6 -34.1 19.7 51.0 122.6 40 42 A K H 3< S+ 0 0 119 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.695 102.1 58.8 -73.7 -20.2 22.4 53.5 123.4 41 43 A Q H << S+ 0 0 34 -3,-0.8 2,-0.3 -4,-0.6 -1,-0.2 0.656 99.5 69.4 -83.1 -16.2 24.7 51.9 120.7 42 44 A L << - 0 0 0 -4,-0.8 -36,-0.2 -3,-0.6 43,-0.1 -0.716 51.4-173.7-101.5 151.2 22.3 52.6 117.9 43 45 A T S S+ 0 0 11 -38,-2.8 44,-1.6 1,-0.4 2,-0.3 0.559 80.5 18.6-110.2 -23.7 21.3 55.9 116.4 44 46 A H E -bc 6 87A 4 -39,-2.0 -37,-3.0 42,-0.2 2,-0.5 -0.997 54.7-163.3-147.4 144.1 18.6 54.4 114.2 45 47 A I E -bc 7 88A 0 42,-2.3 44,-2.7 -2,-0.3 2,-0.9 -0.998 15.2-155.9-123.9 120.7 16.5 51.2 114.0 46 48 A N E -bc 8 89A 1 -39,-2.0 -37,-2.6 -2,-0.5 44,-0.2 -0.833 12.3-145.7-101.1 98.9 14.9 50.7 110.6 47 49 A F E -bc 9 90A 1 42,-3.1 44,-2.9 -2,-0.9 2,-0.4 -0.462 31.1-117.2 -63.9 129.3 11.9 48.5 111.2 48 50 A S E +bc 10 91A 0 -39,-2.6 -37,-1.7 1,-0.2 44,-0.1 -0.977 62.0 10.9-129.0 140.3 11.5 46.3 108.1 49 51 A F E + 0 0 27 42,-0.6 12,-0.4 -2,-0.4 43,-0.2 0.564 44.0 152.4-131.5 147.3 9.5 46.0 106.0 50 52 A L E - c 0 92A 0 41,-3.1 43,-2.9 -3,-0.3 2,-0.2 -0.534 32.6-154.9 -98.4 174.8 6.4 47.9 105.1 51 53 A D E -I 59 0B 12 8,-2.7 8,-2.2 41,-0.2 2,-0.5 -0.685 20.8-102.3-138.7-174.1 5.2 47.8 101.4 52 54 A I E -I 58 0B 3 6,-0.2 6,-0.2 -2,-0.2 55,-0.2 -0.969 40.3-153.0-118.6 113.0 3.3 49.8 98.8 53 55 A N > - 0 0 41 4,-2.2 3,-1.3 -2,-0.5 8,-0.0 -0.055 32.7 -93.7 -75.8-178.5 -0.2 48.3 98.3 54 56 A S T 3 S+ 0 0 97 1,-0.3 -1,-0.1 2,-0.2 50,-0.0 0.651 123.5 68.3 -72.8 -15.5 -2.4 48.4 95.2 55 57 A N T 3 S- 0 0 103 2,-0.2 -1,-0.3 1,-0.0 3,-0.1 0.409 117.2-120.9 -79.2 4.9 -4.2 51.5 96.5 56 58 A L S < S+ 0 0 41 -3,-1.3 2,-0.3 1,-0.2 -2,-0.2 0.788 73.6 118.6 58.5 35.7 -0.6 52.8 95.7 57 59 A E S S- 0 0 64 67,-0.1 -4,-2.2 66,-0.1 -1,-0.2 -0.889 75.5 -91.5-125.8 156.8 -0.1 53.9 99.4 58 60 A C E +I 52 0B 6 63,-0.4 2,-0.3 -2,-0.3 -6,-0.2 -0.439 61.9 152.3 -65.1 138.4 2.4 52.9 102.0 59 61 A A E -I 51 0B 19 -8,-2.2 -8,-2.7 -2,-0.1 2,-0.1 -0.985 46.2 -98.1-166.0 156.1 0.9 50.0 104.1 60 62 A W - 0 0 28 -2,-0.3 -10,-0.1 -10,-0.2 6,-0.1 -0.433 63.9 -76.2 -74.2 154.9 1.7 47.0 106.2 61 63 A D > - 0 0 37 -12,-0.4 3,-2.4 1,-0.2 -1,-0.2 -0.252 45.4-121.1 -50.3 134.8 1.6 43.6 104.6 62 64 A P T 3 S+ 0 0 119 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.785 111.2 60.1 -49.5 -33.9 -2.2 42.7 104.2 63 65 A A T 3 S+ 0 0 65 2,-0.1 2,-0.2 3,-0.0 -2,-0.1 0.485 82.1 119.8 -77.3 -2.5 -1.6 39.5 106.3 64 66 A T < - 0 0 23 -3,-2.4 2,-1.3 1,-0.1 -50,-0.1 -0.455 67.9-130.9 -73.6 135.1 -0.5 41.6 109.3 65 67 A N >> - 0 0 71 -52,-0.3 4,-2.5 -2,-0.2 3,-0.7 -0.695 23.3-154.8 -78.3 93.4 -2.3 41.5 112.7 66 68 A D H 3> S+ 0 0 69 -2,-1.3 4,-2.0 1,-0.2 -1,-0.2 0.724 88.6 51.8 -46.7 -28.7 -2.4 45.4 113.1 67 69 A A H 3> S+ 0 0 67 2,-0.2 4,-1.7 1,-0.1 -1,-0.2 0.894 110.5 44.9 -78.5 -42.2 -2.6 45.1 116.9 68 70 A K H <> S+ 0 0 43 -3,-0.7 4,-2.4 2,-0.2 -2,-0.2 0.900 114.5 52.3 -65.3 -41.3 0.4 42.9 117.3 69 71 A A H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.947 108.2 48.2 -60.1 -51.7 2.3 45.1 114.8 70 72 A R H X S+ 0 0 72 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.876 113.4 50.9 -59.0 -34.5 1.4 48.3 116.7 71 73 A D H X S+ 0 0 53 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.871 108.9 48.4 -70.1 -39.8 2.6 46.5 119.8 72 74 A V H X S+ 0 0 0 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.939 113.5 48.6 -65.2 -45.2 5.9 45.4 118.3 73 75 A V H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.881 108.7 54.4 -62.2 -37.1 6.5 49.0 117.1 74 76 A N H X S+ 0 0 86 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.867 104.3 53.5 -66.5 -36.3 5.6 50.4 120.6 75 77 A R H < S+ 0 0 94 -4,-1.8 4,-0.5 2,-0.2 -1,-0.2 0.889 111.0 48.1 -64.8 -35.8 8.2 48.2 122.2 76 78 A L H >< S+ 0 0 0 -4,-1.5 3,-1.6 1,-0.2 4,-0.3 0.955 111.3 47.1 -69.7 -48.4 10.7 49.7 119.7 77 79 A T H >< S+ 0 0 31 -4,-2.7 3,-1.5 1,-0.3 -1,-0.2 0.797 102.1 66.5 -65.9 -23.6 9.7 53.3 120.3 78 80 A A G >< S+ 0 0 59 -4,-1.8 3,-1.6 1,-0.3 4,-0.3 0.750 86.7 71.0 -66.0 -23.6 9.9 52.6 124.1 79 81 A L G X S+ 0 0 13 -3,-1.6 3,-1.8 -4,-0.5 4,-0.5 0.750 79.1 77.3 -64.7 -21.3 13.6 52.1 123.6 80 82 A K G X S+ 0 0 57 -3,-1.5 3,-0.6 -4,-0.3 -1,-0.3 0.715 77.0 72.7 -63.4 -18.6 13.8 55.9 123.1 81 83 A A G < S+ 0 0 90 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.819 102.0 44.1 -64.2 -28.0 13.5 56.3 126.8 82 84 A H G < S+ 0 0 81 -3,-1.8 -1,-0.2 -4,-0.3 -2,-0.2 0.578 122.1 33.7 -93.3 -8.9 17.1 55.0 127.0 83 85 A N X - 0 0 9 -3,-0.6 3,-1.7 -4,-0.5 -1,-0.2 -0.794 58.8-167.0-150.9 98.9 18.6 57.0 124.1 84 86 A P T 3 S+ 0 0 118 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.586 92.8 53.5 -63.2 -11.0 17.4 60.5 123.3 85 87 A S T 3 S+ 0 0 59 -43,-0.1 2,-0.1 2,-0.0 -5,-0.1 0.575 85.6 114.2 -98.4 -8.1 19.1 60.5 119.9 86 88 A L < - 0 0 1 -3,-1.7 2,-0.4 -6,-0.2 -42,-0.2 -0.370 45.5-167.5 -71.9 136.4 17.5 57.2 118.8 87 89 A R E -c 44 0A 23 -44,-1.6 -42,-2.3 -2,-0.1 2,-0.9 -0.978 15.0-150.1-121.3 131.8 15.0 57.1 115.9 88 90 A I E -c 45 0A 0 -2,-0.4 47,-3.2 -44,-0.2 48,-0.5 -0.877 28.2-178.0 -98.6 101.5 12.8 54.2 115.1 89 91 A M E -cd 46 136A 0 -44,-2.7 -42,-3.1 -2,-0.9 2,-0.4 -0.524 18.9-138.1 -90.5 163.5 12.4 54.5 111.3 90 92 A F E -cd 47 137A 0 46,-1.6 48,-2.4 -44,-0.2 2,-0.4 -0.966 13.5-144.5-121.5 146.2 10.3 52.2 109.1 91 93 A S E -cd 48 138A 0 -44,-2.9 -41,-3.1 -2,-0.4 -42,-0.6 -0.920 4.4-151.5-113.0 134.1 11.6 51.0 105.8 92 94 A I E +cd 50 139A 0 46,-2.6 48,-3.3 -2,-0.4 2,-0.5 -0.900 64.8 7.6-104.6 123.7 9.3 50.4 102.7 93 95 A G E > - 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0 0 11 -15,-0.4 -2,-0.1 -93,-0.1 -16,-0.0 -0.636 56.0-118.0 -85.9 126.0 61.7 70.0 60.1 808 313 B P - 0 0 38 0, 0.0 -93,-0.1 0, 0.0 -1,-0.1 -0.374 25.8-165.2 -56.5 133.0 60.6 73.4 61.5 809 314 B G + 0 0 35 -94,-0.1 -94,-0.2 -95,-0.1 2,-0.1 0.592 51.6 98.1 -99.9 -9.7 56.9 72.9 62.1 810 315 B E S S- 0 0 63 -96,-0.1 -95,-0.0 2,-0.1 0, 0.0 -0.365 72.3 -99.7 -82.1 156.8 55.9 76.6 62.6 811 316 B D S S+ 0 0 91 2,-0.1 2,-0.2 -2,-0.1 -2,-0.0 -0.976 100.1 38.7-122.2 132.9 54.4 79.1 60.1 812 317 B P S S- 0 0 114 0, 0.0 -2,-0.1 0, 0.0 19,-0.1 0.585 106.2-101.7 -73.9 171.0 55.8 81.1 58.7 813 318 B Y - 0 0 19 17,-0.3 -2,-0.1 -2,-0.2 -4,-0.0 -0.430 34.2-143.8 -57.8 126.9 59.0 79.2 57.9 814 319 B P + 0 0 90 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.545 66.5 32.0 -75.4 -12.1 61.5 80.5 60.5 815 320 B S S S- 0 0 54 2,-0.1 -2,-0.0 15,-0.1 0, 0.0 -0.532 72.5-115.6-130.2-163.3 64.8 80.6 58.5 816 321 B T S S+ 0 0 115 -2,-0.2 2,-1.3 15,-0.0 15,-0.1 0.229 70.3 121.3-120.5 7.6 66.3 81.0 55.0 817 322 B D - 0 0 88 1,-0.1 2,-1.4 13,-0.1 -2,-0.1 -0.624 42.4-171.7 -76.5 95.0 67.7 77.5 54.7 818 323 B Y + 0 0 64 -2,-1.3 -1,-0.1 1,-0.2 5,-0.1 -0.649 16.7 163.4 -92.4 80.7 65.9 76.3 51.5 819 324 B W + 0 0 25 -2,-1.4 2,-1.4 2,-0.1 -1,-0.2 0.266 35.2 106.9 -84.3 5.7 66.9 72.7 51.7 820 325 B L S > S- 0 0 6 3,-0.2 3,-2.2 14,-0.1 6,-0.1 -0.743 75.1-131.8 -89.9 95.5 64.5 71.1 49.3 821 326 B V T 3 S+ 0 0 29 -2,-1.4 27,-0.1 1,-0.3 -2,-0.1 -0.192 82.8 9.6 -51.2 126.9 66.9 70.4 46.5 822 327 B G T 3 S+ 0 0 22 1,-0.1 2,-1.4 25,-0.1 -1,-0.3 0.239 91.1 122.8 88.8 -12.9 65.7 71.5 43.1 823 328 B b <> + 0 0 5 -3,-2.2 4,-0.9 1,-0.2 -3,-0.2 -0.628 22.4 162.6 -88.0 87.8 62.7 73.4 44.4 824 329 B E H > S+ 0 0 149 -2,-1.4 4,-2.0 1,-0.2 -1,-0.2 0.772 75.8 63.8 -72.8 -26.4 63.1 76.9 43.1 825 330 B E H > S+ 0 0 41 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.923 99.5 55.4 -60.7 -42.1 59.4 77.6 43.8 826 331 B b H 4>S+ 0 0 2 1,-0.2 5,-1.9 2,-0.2 4,-0.4 0.837 105.3 51.0 -58.8 -38.5 60.3 77.0 47.5 827 332 B V H <5S+ 0 0 76 -4,-0.9 3,-0.4 3,-0.2 -1,-0.2 0.932 112.7 46.1 -65.9 -45.6 63.0 79.7 47.3 828 333 B R H <5S+ 0 0 109 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.1 0.957 120.7 37.0 -62.4 -52.4 60.5 82.2 45.8 829 334 B D T <5S- 0 0 86 -4,-3.2 -1,-0.2 2,-0.1 -2,-0.2 0.458 108.4-129.4 -81.8 2.1 57.7 81.4 48.2 830 335 B K T 5S+ 0 0 131 -3,-0.4 -17,-0.3 -4,-0.4 -3,-0.2 0.847 73.5 101.5 55.2 42.4 60.3 81.0 51.0 831 336 B D > < - 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I 0 870L 8 5,-2.9 4,-1.9 -2,-0.4 5,-1.5 -0.856 6.3-174.5-107.9 95.8 66.4 61.7 48.9 866 371 B A T 45S+ 0 0 67 -2,-0.8 -1,-0.2 -17,-0.5 -16,-0.1 0.902 80.0 52.2 -53.9 -48.2 68.9 59.2 50.2 867 372 B Q T 45S+ 0 0 85 -18,-0.4 -1,-0.1 1,-0.2 -2,-0.1 0.981 122.6 23.6 -54.7 -72.4 71.8 61.7 50.0 868 373 B N T 45S- 0 0 102 -19,-0.1 -75,-0.5 1,-0.1 -1,-0.2 0.516 106.8-114.4 -77.0 -5.6 70.3 64.7 51.9 869 374 B G T <5 + 0 0 9 -4,-1.9 -75,-2.2 1,-0.2 -76,-0.6 0.959 57.9 158.8 72.6 51.7 67.8 62.7 54.0 870 375 B L E < -GI 792 865L 4 -5,-1.5 -5,-2.9 -78,-0.2 2,-0.4 -0.859 24.5-168.1-112.8 143.9 64.6 64.2 52.5 871 376 B F E -GI 791 864L 0 -80,-2.3 -80,-2.8 -2,-0.3 2,-0.4 -0.998 3.9-172.7-130.1 130.9 61.0 62.8 52.5 872 377 B V E -GI 790 863L 1 -9,-2.4 -9,-2.3 -2,-0.4 2,-0.5 -0.982 7.0-161.7-128.3 123.6 58.2 64.2 50.4 873 378 B T E +GI 789 862L 1 -84,-2.5 -84,-2.2 -2,-0.4 2,-0.3 -0.900 32.7 133.4-103.7 131.4 54.6 63.1 50.6 874 379 B Y - 0 0 5 -13,-1.1 2,-0.3 -2,-0.5 -86,-0.2 -0.918 45.1-112.6-158.7 178.8 52.3 63.9 47.6 875 380 B D + 0 0 3 -88,-0.3 2,-0.3 -2,-0.3 -15,-0.1 -0.872 29.6 174.3-121.6 156.8 49.7 62.6 45.2 876 381 B D > - 0 0 12 -2,-0.3 4,-2.3 33,-0.0 5,-0.2 -0.849 51.9 -72.2-148.2-174.7 49.9 61.9 41.5 877 382 B A H > S+ 0 0 32 -2,-0.3 4,-0.6 1,-0.2 -2,-0.0 0.799 127.4 51.6 -57.7 -27.3 48.0 60.4 38.5 878 383 B E H >> S+ 0 0 66 2,-0.2 3,-0.9 1,-0.2 4,-0.9 0.928 108.8 46.8 -78.1 -44.8 48.6 56.9 39.9 879 384 B S H >> S+ 0 0 0 1,-0.3 4,-2.1 2,-0.2 3,-0.5 0.882 106.9 61.9 -63.7 -31.7 47.4 57.5 43.4 880 385 B F H 3X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 -1,-0.3 0.772 92.0 65.4 -64.2 -25.2 44.3 59.2 41.8 881 386 B K H S+ 0 0 0 -4,-2.4 5,-2.1 -5,-0.2 4,-0.3 0.918 113.3 43.9 -60.3 -43.4 34.8 57.4 45.0 888 393 B K H ><5S+ 0 0 68 -4,-2.0 3,-1.1 3,-0.2 -2,-0.2 0.956 115.8 48.2 -66.5 -46.4 32.9 55.2 42.5 889 394 B Q H 3<5S+ 0 0 102 -4,-3.3 -2,-0.2 1,-0.3 -1,-0.2 0.877 114.8 43.3 -60.3 -44.8 32.8 52.3 45.0 890 395 B Q T 3<5S- 0 0 59 -4,-3.1 -1,-0.3 -5,-0.2 -2,-0.2 0.344 108.7-123.9 -84.4 4.1 31.5 54.3 48.0 891 396 B Q T < 5 + 0 0 140 -3,-1.1 -3,-0.2 -4,-0.3 -111,-0.2 0.860 49.5 169.8 54.3 42.3 29.1 56.2 45.7 892 397 B L < - 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0 0 15 1,-0.2 -1,-0.2 -72,-0.0 -73,-0.1 -0.052 20.2 -78.1 78.4-177.7 45.2 46.5 48.1 931 436 B T S S+ 0 0 103 -75,-0.4 -1,-0.2 -205,-0.0 -74,-0.1 0.031 74.1 139.0-113.1 23.0 45.3 45.2 51.7 932 437 B G - 0 0 4 -3,-0.4 2,-0.3 -75,-0.3 -204,-0.2 -0.263 67.5 -76.8 -65.5 160.0 45.8 48.5 53.5 933 438 B L B -D 727 0J 81 -206,-2.6 -206,-2.4 -207,-0.1 2,-0.3 -0.410 45.5-153.5 -64.5 119.7 43.8 49.1 56.7 934 439 B R - 0 0 100 -2,-0.3 2,-0.5 -208,-0.2 -208,-0.1 -0.660 19.1-119.9 -90.2 148.0 40.2 49.9 56.2 935 440 B Y + 0 0 19 -2,-0.3 -177,-0.0 1,-0.1 -1,-0.0 -0.781 35.8 173.2 -87.0 124.5 38.4 52.0 58.8 936 441 B T + 0 0 113 -2,-0.5 -1,-0.1 2,-0.0 2,-0.1 -0.156 11.2 152.9-130.6 48.4 35.4 49.9 60.1 937 442 B G - 0 0 6 -184,-0.2 2,-0.5 -173,-0.1 -184,-0.3 -0.406 30.9-148.7 -71.9 149.3 33.8 51.7 63.1 938 443 B V - 0 0 45 -186,-1.9 -184,-0.1 -189,-0.1 5,-0.1 -0.976 17.3-176.2-121.7 122.3 30.2 51.0 63.6 939 444 B G > - 0 0 0 -2,-0.5 3,-4.1 -186,-0.2 4,-0.1 -0.851 46.5-103.5-117.8 155.5 28.0 53.7 65.1 940 445 B P T 3 S+ 0 0 25 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.538 124.3 63.1 -50.9 2.6 24.3 53.8 66.2 941 446 B G T 3 S+ 0 0 29 1,-0.1 -167,-0.2 -168,-0.1 -3,-0.0 0.551 110.3 30.3-103.2 -10.8 24.1 55.6 62.8 942 447 B N S < S+ 0 0 63 -3,-4.1 -1,-0.1 -169,-0.1 -170,-0.1 -0.181 79.5 160.7-140.7 44.6 25.3 52.7 60.6 943 448 B L - 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