==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-OCT-10 3PFB . COMPND 2 MOLECULE: CINNAMOYL ESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOBACILLUS JOHNSONII; . AUTHOR P.J.STOGIOS,K.K.LAI,C.VU,X.XU,H.CUI,S.MOLLOY,C.F.GONZALEZ,A. . 500 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19312.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 353 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 67 13.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 46 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 6 1.2 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 . 31 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 139 27.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.8 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 0 2 0 0 2 4 0 0 4 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 3 1 6 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 2 0 4 0 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 ANTIPARALLEL BRIDGES PER LADDER . 4 0 0 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 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 34 0, 0.0 27,-0.4 0, 0.0 28,-0.2 0.000 360.0 360.0 360.0-160.9 69.2 74.2 22.9 2 -4 A L + 0 0 97 25,-0.2 3,-0.1 1,-0.1 27,-0.1 0.765 360.0 29.1 -64.3 -24.4 70.7 77.7 23.4 3 -3 A Y S S+ 0 0 200 1,-0.3 2,-0.4 25,-0.1 -1,-0.1 0.797 119.3 41.6-112.8 -35.1 74.2 76.6 22.4 4 -2 A F + 0 0 100 22,-0.1 2,-0.3 2,-0.0 -1,-0.3 -0.974 59.8 168.9-114.8 128.4 74.0 73.7 19.9 5 -1 A Q + 0 0 63 -2,-0.4 2,-0.3 -3,-0.1 22,-0.1 -0.976 41.8 42.7-130.0 152.7 71.5 73.5 17.0 6 0 A G E S-A 25 0A 21 19,-2.1 19,-2.7 -2,-0.3 2,-0.3 -0.829 91.1 -18.8 116.4-154.5 71.4 71.1 14.1 7 1 A M E +A 24 0A 113 -2,-0.3 2,-0.3 17,-0.2 17,-0.2 -0.642 46.8 175.5-101.3 149.2 71.9 67.4 13.8 8 2 A A E -A 23 0A 39 15,-1.9 15,-2.8 -2,-0.3 2,-0.4 -0.995 29.8-123.6-141.7 140.7 73.5 64.8 16.1 9 3 A T E -A 22 0A 108 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.741 33.3-176.3 -81.4 129.3 73.9 61.0 16.0 10 4 A I E -A 21 0A 27 11,-2.1 11,-3.6 -2,-0.4 2,-0.4 -0.956 9.0-158.9-127.6 138.7 72.5 59.3 19.2 11 5 A T E -A 20 0A 71 -2,-0.3 2,-0.2 9,-0.2 9,-0.2 -0.988 9.1-176.2-126.4 133.3 72.6 55.6 20.1 12 6 A L E -A 19 0A 29 7,-3.1 7,-2.1 -2,-0.4 2,-0.4 -0.697 18.7-128.0-114.3 169.6 70.4 53.8 22.5 13 7 A E E +A 18 0A 146 -2,-0.2 2,-0.3 5,-0.2 5,-0.2 -0.964 19.0 177.9-118.6 142.7 70.2 50.3 23.8 14 8 A R E > S-A 17 0A 12 3,-2.6 3,-2.1 -2,-0.4 75,-0.1 -0.927 79.8 -30.1-138.7 114.4 67.1 48.0 23.9 15 9 A D T 3 S- 0 0 24 -2,-0.3 3,-0.1 1,-0.3 253,-0.1 0.885 125.3 -45.4 38.7 57.0 67.9 44.5 25.4 16 10 A G T 3 S+ 0 0 34 1,-0.3 2,-0.4 251,-0.1 -1,-0.3 0.705 116.3 114.0 64.6 8.7 71.5 44.4 24.1 17 11 A L E < -A 14 0A 10 -3,-2.1 -3,-2.6 58,-0.1 2,-0.4 -0.959 62.1-137.4 -98.8 135.8 70.6 45.7 20.7 18 12 A Q E -A 13 0A 83 -2,-0.4 57,-3.2 -5,-0.2 2,-0.4 -0.828 12.3-156.4 -96.5 134.2 71.9 49.1 19.8 19 13 A L E -A 12 0A 1 -7,-2.1 -7,-3.1 -2,-0.4 2,-0.5 -0.950 5.6-152.1-109.7 130.4 69.6 51.6 18.1 20 14 A V E +A 11 0A 23 -2,-0.4 47,-2.3 47,-0.4 2,-0.3 -0.930 23.0 168.0-114.1 123.0 71.0 54.4 16.0 21 15 A G E -AB 10 66A 0 -11,-3.6 -11,-2.1 -2,-0.5 2,-0.5 -0.829 32.4-124.9-131.1 170.9 69.1 57.7 15.5 22 16 A T E -AB 9 65A 7 43,-2.9 43,-2.2 -2,-0.3 2,-0.5 -0.982 20.9-156.0-119.7 125.9 69.3 61.2 14.4 23 17 A R E -AB 8 64A 14 -15,-2.8 -15,-1.9 -2,-0.5 2,-0.7 -0.893 4.3-154.1-102.8 127.4 68.4 64.1 16.7 24 18 A E E -AB 7 63A 2 39,-3.3 39,-1.6 -2,-0.5 -17,-0.2 -0.919 17.2-162.3 -98.5 107.9 67.3 67.4 15.2 25 19 A E E -A 6 0A 8 -19,-2.7 -19,-2.1 -2,-0.7 36,-0.1 -0.821 4.6-160.2-103.0 117.3 68.1 70.0 17.9 26 20 A P - 0 0 0 0, 0.0 2,-0.2 0, 0.0 -22,-0.1 -0.236 30.0 -87.4 -87.9 176.9 66.3 73.4 17.6 27 21 A F S S+ 0 0 143 30,-0.3 -25,-0.2 -22,-0.1 2,-0.1 -0.540 84.6 66.7 -68.5 150.4 67.2 76.8 19.1 28 22 A G S S- 0 0 19 -27,-0.4 -25,-0.1 -2,-0.2 3,-0.1 -0.049 76.5-110.4 116.9 147.4 65.7 77.3 22.7 29 23 A E S S+ 0 0 94 -28,-0.2 2,-0.4 1,-0.2 -1,-0.1 0.878 103.0 30.3 -68.4 -45.0 65.9 76.1 26.2 30 24 A I S S+ 0 0 80 -29,-0.1 2,-0.3 73,-0.0 73,-0.2 -0.948 75.8 148.4-126.2 137.4 62.5 74.3 26.3 31 25 A Y E -c 103 0A 3 71,-2.3 73,-2.5 -2,-0.4 2,-0.2 -0.992 45.1 -95.2-163.3 163.4 60.7 72.7 23.4 32 26 A D E - 0 0 10 28,-0.3 30,-2.3 -2,-0.3 2,-0.4 -0.602 35.8-153.4 -85.6 145.3 58.5 70.1 22.1 33 27 A M E -cd 106 62A 0 72,-2.1 74,-2.3 -2,-0.2 2,-0.4 -0.993 4.3-158.0-126.9 128.0 60.0 66.9 20.6 34 28 A A E -cd 107 63A 0 28,-2.3 30,-2.0 -2,-0.4 2,-0.5 -0.837 9.7-147.5 -94.4 137.2 58.5 64.5 18.0 35 29 A I E -cd 108 64A 0 72,-2.7 74,-2.6 -2,-0.4 2,-0.5 -0.948 21.2-152.9-100.5 124.2 59.7 60.9 17.8 36 30 A I E -cd 109 65A 1 28,-3.5 30,-0.8 -2,-0.5 2,-0.5 -0.909 6.6-158.6-107.3 127.8 59.5 59.9 14.1 37 31 A F E -c 110 0A 2 72,-3.2 74,-2.9 -2,-0.5 77,-0.2 -0.896 3.9-150.8-111.2 120.4 59.0 56.3 13.0 38 32 A H - 0 0 0 -2,-0.5 6,-0.1 28,-0.5 3,-0.1 -0.274 23.7-110.8 -76.2 167.8 59.8 54.9 9.6 39 33 A G > - 0 0 3 4,-0.2 3,-1.5 74,-0.2 2,-0.2 -0.107 49.1 -48.1 -92.2-170.1 58.0 52.0 7.9 40 34 A F T 3 S- 0 0 20 1,-0.3 -1,-0.2 -2,-0.0 3,-0.1 -0.407 124.8 -1.4 -67.9 121.2 58.6 48.4 7.0 41 35 A T T 3 S+ 0 0 51 -2,-0.2 -1,-0.3 1,-0.2 31,-0.1 0.473 114.6 107.7 76.5 1.8 62.0 47.8 5.1 42 36 A A < - 0 0 24 -3,-1.5 30,-0.3 29,-0.1 2,-0.3 0.035 56.8-144.8 -86.4-165.0 62.6 51.6 5.3 43 37 A N > - 0 0 62 28,-0.1 3,-1.3 -3,-0.1 -4,-0.2 -0.953 34.9 -84.6-161.2 173.3 65.1 53.6 7.6 44 38 A R T 3 S+ 0 0 17 -2,-0.3 -22,-0.1 1,-0.3 23,-0.1 0.448 116.1 57.5 -63.1 -4.9 65.3 56.9 9.5 45 39 A N T 3 + 0 0 46 4,-0.1 -1,-0.3 5,-0.0 22,-0.0 0.077 62.3 136.4-130.5 19.4 66.4 58.8 6.5 46 40 A T <> - 0 0 47 -3,-1.3 4,-2.7 1,-0.1 5,-0.2 -0.284 69.0-108.4 -47.4 147.9 63.8 58.5 3.8 47 41 A S H > S+ 0 0 79 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.855 118.5 53.3 -44.7 -40.3 63.1 61.9 2.0 48 42 A L H > S+ 0 0 8 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.969 112.9 41.7 -69.8 -49.5 59.6 62.1 3.8 49 43 A L H > S+ 0 0 2 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.861 114.6 51.4 -69.4 -38.1 61.0 61.6 7.3 50 44 A R H X S+ 0 0 101 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.928 112.7 45.4 -57.0 -50.4 64.0 63.9 6.6 51 45 A E H X S+ 0 0 59 -4,-2.5 4,-2.7 -5,-0.2 5,-0.3 0.905 111.1 54.7 -62.7 -40.9 61.8 66.7 5.4 52 46 A I H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.961 111.1 44.5 -51.9 -56.4 59.4 66.1 8.4 53 47 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.838 114.6 50.0 -53.8 -44.6 62.3 66.5 10.9 54 48 A N H X S+ 0 0 59 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.866 111.8 46.1 -66.9 -42.7 63.6 69.6 9.0 55 49 A S H X S+ 0 0 13 -4,-2.7 4,-1.1 2,-0.2 -2,-0.2 0.902 112.3 51.8 -65.9 -43.5 60.2 71.3 8.8 56 50 A L H ><>S+ 0 0 0 -4,-2.7 5,-2.5 -5,-0.3 3,-0.9 0.946 108.8 50.5 -58.0 -46.4 59.7 70.5 12.5 57 51 A R H ><5S+ 0 0 65 -4,-2.3 3,-2.0 1,-0.3 -30,-0.3 0.851 102.9 59.5 -62.5 -38.1 63.0 72.0 13.4 58 52 A D H 3<5S+ 0 0 117 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.753 106.1 50.1 -62.1 -24.2 62.3 75.2 11.5 59 53 A E T <<5S- 0 0 87 -4,-1.1 -1,-0.3 -3,-0.9 -2,-0.2 0.101 125.0-104.8 -96.7 18.9 59.3 75.6 13.8 60 54 A N T < 5S+ 0 0 82 -3,-2.0 2,-0.7 1,-0.2 -28,-0.3 0.603 79.2 134.9 73.2 9.7 61.5 75.1 16.9 61 55 A I < - 0 0 1 -5,-2.5 -1,-0.2 -6,-0.2 -28,-0.2 -0.846 47.0-143.3 -96.2 113.1 60.1 71.5 17.4 62 56 A A E - d 0 33A 0 -30,-2.3 -28,-2.3 -2,-0.7 2,-0.3 -0.202 20.8-170.6 -62.8 162.7 62.9 69.0 18.2 63 57 A S E -Bd 24 34A 0 -39,-1.6 -39,-3.3 -30,-0.2 2,-0.4 -0.984 21.4-156.0-152.1 159.1 62.9 65.5 16.9 64 58 A V E -Bd 23 35A 0 -30,-2.0 -28,-3.5 -2,-0.3 2,-0.4 -0.988 11.1-173.9-124.1 139.8 64.5 62.1 17.0 65 59 A R E -Bd 22 36A 3 -43,-2.2 -43,-2.9 -2,-0.4 2,-0.4 -0.992 11.1-175.8-132.8 123.5 64.4 59.5 14.2 66 60 A F E -B 21 0A 3 -30,-0.8 2,-0.5 -2,-0.4 -28,-0.5 -0.920 29.9-116.1-118.3 149.8 65.8 56.0 14.7 67 61 A D - 0 0 3 -47,-2.3 -47,-0.4 -2,-0.4 3,-0.1 -0.690 38.4-127.1 -73.6 121.2 66.3 52.9 12.7 68 62 A F > - 0 0 3 -2,-0.5 3,-1.8 -29,-0.1 6,-0.3 -0.265 42.7 -74.2 -52.8 154.2 64.2 50.0 14.1 69 63 A N T 3 S+ 0 0 2 1,-0.3 7,-0.2 16,-0.2 -1,-0.1 -0.229 125.1 25.4 -43.9 139.7 65.9 46.7 15.0 70 64 A G T 3 S+ 0 0 14 5,-1.8 2,-0.3 6,-0.3 -1,-0.3 0.450 113.6 86.8 75.5 3.0 66.7 44.8 11.7 71 65 A H S X S- 0 0 12 -3,-1.8 3,-1.7 4,-0.3 -1,-0.2 -0.961 85.9 -21.1-131.4 154.4 66.8 48.0 9.7 72 66 A G T 3 S- 0 0 52 -2,-0.3 -29,-0.1 -30,-0.3 -2,-0.0 -0.309 119.0 -24.3 61.5-130.5 69.3 50.8 8.8 73 67 A D T 3 S+ 0 0 107 -53,-0.2 -1,-0.2 -4,-0.0 2,-0.1 0.386 109.0 108.0 -95.3 -3.0 72.3 51.2 11.0 74 68 A S S < S- 0 0 12 -3,-1.7 -55,-0.2 -6,-0.3 -4,-0.1 -0.389 73.1 -99.8 -80.1 154.1 70.6 49.6 14.1 75 69 A D S S+ 0 0 71 -57,-3.2 -5,-1.8 -8,-0.1 -4,-0.3 -0.119 72.4 54.2 -62.6 170.3 71.6 46.1 15.4 76 70 A G S S- 0 0 42 -7,-0.2 -6,-0.3 -6,-0.1 2,-0.2 0.252 82.0 -71.8 85.3 154.8 69.7 42.8 14.9 77 71 A K > - 0 0 115 1,-0.1 3,-1.9 -8,-0.1 4,-0.3 -0.549 29.7-132.6 -83.8 139.8 68.5 40.7 11.9 78 72 A F G > S+ 0 0 20 1,-0.3 3,-2.0 -8,-0.2 94,-0.4 0.893 107.2 64.5 -53.6 -37.1 65.5 41.8 9.8 79 73 A E G 3 S+ 0 0 53 1,-0.3 96,-0.3 92,-0.2 -1,-0.3 0.674 101.9 50.3 -61.1 -17.4 64.2 38.1 10.1 80 74 A N G < S+ 0 0 69 -3,-1.9 2,-0.3 94,-0.1 -1,-0.3 0.361 87.9 107.4-107.2 0.1 63.9 38.7 13.9 81 75 A M < + 0 0 0 -3,-2.0 91,-0.3 -4,-0.3 2,-0.3 -0.591 40.1 166.1 -77.7 137.0 62.0 42.0 13.6 82 76 A T > - 0 0 4 -2,-0.3 4,-1.4 1,-0.1 5,-0.1 -0.927 51.9-103.7-138.0 168.5 58.2 42.0 14.5 83 77 A V H > S+ 0 0 2 -2,-0.3 4,-1.6 92,-0.3 5,-0.1 0.883 120.4 55.9 -59.3 -33.1 55.8 44.9 15.1 84 78 A L H > S+ 0 0 29 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.892 105.4 46.1 -71.2 -44.6 56.1 44.1 18.9 85 79 A N H > S+ 0 0 5 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.744 108.9 58.5 -74.9 -17.1 59.8 44.4 19.2 86 80 A E H X S+ 0 0 0 -4,-1.4 4,-2.7 2,-0.2 -2,-0.2 0.888 104.4 50.5 -67.8 -38.6 59.6 47.6 17.2 87 81 A I H X S+ 0 0 4 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.901 108.3 53.1 -61.2 -37.8 57.2 48.9 20.0 88 82 A E H X S+ 0 0 5 -4,-1.6 4,-2.0 1,-0.2 -2,-0.2 0.944 110.4 46.0 -65.7 -47.1 59.9 47.8 22.4 89 83 A D H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.889 111.2 53.1 -49.8 -50.8 62.5 49.9 20.5 90 84 A A H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.862 108.0 50.7 -60.7 -35.6 60.0 52.7 20.4 91 85 A N H X S+ 0 0 15 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.894 106.9 53.3 -70.7 -40.1 59.6 52.5 24.2 92 86 A A H X S+ 0 0 12 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.910 112.0 46.0 -59.2 -40.4 63.4 52.6 24.7 93 87 A I H X S+ 0 0 3 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.879 109.2 54.7 -67.7 -38.5 63.4 55.8 22.6 94 88 A L H X S+ 0 0 0 -4,-2.1 4,-2.9 1,-0.2 -2,-0.2 0.861 105.2 55.0 -61.9 -35.3 60.4 57.2 24.6 95 89 A N H X S+ 0 0 64 -4,-2.4 4,-0.8 1,-0.2 -1,-0.2 0.905 108.6 48.0 -59.5 -45.0 62.6 56.6 27.8 96 90 A Y H < S+ 0 0 55 -4,-1.4 3,-0.2 2,-0.2 -2,-0.2 0.888 116.0 42.4 -63.1 -45.7 65.3 58.7 26.3 97 91 A V H >< S+ 0 0 0 -4,-2.0 3,-2.0 1,-0.2 6,-0.2 0.915 110.2 54.5 -69.8 -47.5 63.0 61.6 25.3 98 92 A K H 3< S+ 0 0 48 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.659 108.7 51.3 -69.2 -14.0 60.9 61.6 28.5 99 93 A T T 3< S+ 0 0 88 -4,-0.8 -1,-0.3 -3,-0.2 -2,-0.2 0.202 83.2 100.7-103.4 11.2 64.1 62.0 30.6 100 94 A D X - 0 0 28 -3,-2.0 3,-1.3 1,-0.1 -4,-0.0 -0.878 64.0-152.5 -91.9 117.6 65.5 65.0 28.6 101 95 A P T 3 S+ 0 0 119 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.462 89.5 68.2 -79.3 6.3 64.8 68.0 30.7 102 96 A H T 3 S+ 0 0 39 -72,-0.1 -71,-2.3 2,-0.0 2,-0.2 0.727 83.6 95.1 -73.7 -29.5 64.7 70.3 27.5 103 97 A V E < +c 31 0A 26 -3,-1.3 -71,-0.2 -6,-0.2 3,-0.1 -0.456 42.5 169.3 -77.0 134.5 61.5 68.5 26.4 104 98 A R E + 0 0 150 -73,-2.5 2,-0.3 1,-0.4 -72,-0.2 0.775 69.0 13.3-100.9 -82.5 58.0 69.9 27.2 105 99 A N E S- 0 0 48 24,-0.0 -72,-2.1 25,-0.0 2,-0.5 -0.779 70.4-139.5-101.8 148.8 55.4 67.9 25.1 106 100 A I E -ce 33 129A 5 22,-0.5 24,-2.7 -2,-0.3 25,-0.7 -0.907 17.4-170.6-111.3 125.0 56.1 64.7 23.4 107 101 A Y E -ce 34 131A 12 -74,-2.3 -72,-2.7 -2,-0.5 2,-0.5 -0.904 11.6-147.5-109.7 146.2 54.6 63.9 19.9 108 102 A L E +ce 35 132A 0 23,-1.8 25,-3.2 -2,-0.3 2,-0.4 -0.944 15.5 179.6-113.8 131.1 54.6 60.7 18.0 109 103 A V E +ce 36 133A 0 -74,-2.6 -72,-3.2 -2,-0.5 2,-0.4 -0.978 8.1 174.7-130.1 118.9 54.8 60.7 14.2 110 104 A G E -ce 37 134A 0 23,-2.4 25,-2.6 -2,-0.4 2,-0.4 -0.980 19.7-151.6-129.1 137.9 54.8 57.4 12.2 111 105 A H E > - 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0 0 42 -2,-0.5 3,-2.2 -3,-0.2 4,-0.3 -0.293 16.9-124.6 -53.3 135.7 43.3 32.8 42.0 459 202 B P T >> S+ 0 0 18 0, 0.0 4,-2.0 0, 0.0 3,-0.6 0.683 104.7 81.7 -48.0 -25.8 42.0 29.4 40.8 460 203 B N H 3> S+ 0 0 102 1,-0.2 4,-2.8 2,-0.2 5,-0.1 0.781 80.8 67.3 -55.7 -25.3 39.5 31.4 38.8 461 204 B A H <> S+ 0 0 3 -3,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.948 104.5 38.7 -59.1 -49.0 42.3 31.8 36.3 462 205 B S H <> S+ 0 0 0 -3,-0.6 4,-2.5 -4,-0.3 -2,-0.2 0.872 113.8 56.7 -71.7 -36.8 42.4 28.1 35.4 463 206 B K H X S+ 0 0 89 -4,-2.0 4,-0.5 2,-0.2 -2,-0.2 0.939 108.6 47.5 -51.8 -53.9 38.6 28.0 35.6 464 207 B K H >X S+ 0 0 106 -4,-2.8 4,-1.8 2,-0.2 3,-1.4 0.911 110.6 49.4 -53.8 -55.6 38.5 30.8 32.9 465 208 B Y H 3X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.917 105.4 59.2 -51.8 -42.2 41.1 29.1 30.6 466 209 B D H 3< S+ 0 0 45 -4,-2.5 6,-0.2 1,-0.2 -1,-0.2 0.684 109.5 45.4 -64.7 -13.9 39.0 25.9 30.9 467 210 B Q H << S+ 0 0 159 -3,-1.4 -1,-0.2 -4,-0.5 -2,-0.2 0.755 112.4 48.0 -92.3 -35.9 36.1 28.0 29.4 468 211 B I H < S+ 0 0 31 -4,-1.8 2,-0.2 -3,-0.1 -2,-0.2 0.864 98.1 87.0 -71.7 -36.8 38.1 29.7 26.6 469 212 B Y < - 0 0 12 -4,-2.4 3,-0.5 -5,-0.2 -26,-0.1 -0.402 64.6-151.9 -75.4 135.6 39.7 26.4 25.4 470 213 B Q S S+ 0 0 142 -28,-0.4 2,-0.1 1,-0.3 -27,-0.1 0.745 96.6 21.3 -77.6 -19.0 38.1 24.0 22.8 471 214 B N S S+ 0 0 69 -27,-0.4 -25,-2.1 -29,-0.3 2,-0.3 -0.588 86.8 138.6-148.9 79.3 39.9 21.0 24.4 472 215 B S E -p 446 0D 21 -3,-0.5 2,-0.4 -6,-0.2 -25,-0.2 -0.844 36.0-152.7-119.9 158.1 41.0 21.5 27.9 473 216 B T E -p 447 0D 65 -27,-1.8 -25,-3.0 -2,-0.3 2,-0.5 -0.997 16.6-146.7-128.1 127.1 41.0 19.4 31.1 474 217 B L E -p 448 0D 47 -2,-0.4 2,-0.6 -27,-0.2 -25,-0.2 -0.867 12.3-172.6-105.1 127.0 40.8 21.1 34.5 475 218 B H E -p 449 0D 53 -27,-2.9 -25,-2.3 -2,-0.5 2,-0.7 -0.928 3.2-168.7-116.6 98.9 42.6 19.7 37.6 476 219 B L E -p 450 0D 76 -2,-0.6 2,-0.8 -27,-0.2 -25,-0.2 -0.799 13.6-150.2 -88.8 116.6 41.8 21.5 40.8 477 220 B I E > -p 451 0D 8 -27,-2.5 -25,-2.7 -2,-0.7 3,-1.6 -0.760 21.1-127.3 -91.0 112.1 44.3 20.1 43.4 478 221 B E T 3 S- 0 0 160 -2,-0.8 -27,-0.1 1,-0.3 -1,-0.0 -0.441 86.2 -1.3 -69.0 116.8 42.4 20.4 46.7 479 222 B G T 3 S+ 0 0 25 -2,-0.3 -1,-0.3 1,-0.3 -28,-0.1 0.301 94.0 142.2 93.9 -8.7 44.6 22.3 49.2 480 223 B A < - 0 0 0 -3,-1.6 -27,-1.7 -30,-0.2 -1,-0.3 -0.284 41.9-132.1 -70.9 156.3 47.6 22.9 47.0 481 224 B D > - 0 0 44 4,-0.2 3,-1.2 -29,-0.1 -27,-0.3 -0.334 32.3 -91.1 -94.0 179.0 49.6 26.1 47.0 482 225 B H T 3 S+ 0 0 32 -29,-0.3 -28,-0.1 1,-0.3 -119,-0.1 0.789 126.6 40.6 -57.7 -33.6 50.9 28.3 44.2 483 226 B C T 3 S- 0 0 64 -121,-0.0 -1,-0.3 -120,-0.0 -184,-0.1 0.383 107.2-121.6-102.6 7.3 54.1 26.5 43.9 484 227 B F < - 0 0 0 -3,-1.2 2,-0.1 1,-0.1 -2,-0.1 0.973 45.0-161.0 47.4 61.6 52.8 23.0 44.4 485 228 B S > - 0 0 49 3,-0.2 3,-2.5 4,-0.1 4,-0.2 -0.374 37.2 -31.6 -79.9 148.1 54.9 22.4 47.4 486 229 B D T >> S+ 0 0 148 1,-0.3 3,-1.5 2,-0.2 4,-0.7 -0.099 135.2 13.1 50.8-119.1 56.0 19.2 49.1 487 230 B S H 3> S+ 0 0 93 1,-0.3 4,-1.0 2,-0.2 -1,-0.3 0.791 125.0 61.4 -57.5 -26.0 53.2 16.6 48.7 488 231 B Y H <> S+ 0 0 79 -3,-2.5 4,-2.4 1,-0.2 -1,-0.3 0.776 92.2 68.2 -74.6 -27.2 51.4 18.6 46.1 489 232 B Q H <> S+ 0 0 36 -3,-1.5 4,-3.7 2,-0.2 5,-0.3 0.917 94.9 51.4 -58.8 -48.7 54.4 18.5 43.7 490 233 B K H X S+ 0 0 131 -4,-0.7 4,-2.8 -3,-0.3 -1,-0.2 0.914 112.5 48.1 -61.4 -39.4 54.2 14.7 42.9 491 234 B N H X S+ 0 0 72 -4,-1.0 4,-2.3 2,-0.2 5,-0.2 0.945 113.9 47.1 -60.2 -47.1 50.4 15.2 42.1 492 235 B A H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.964 115.8 45.5 -58.1 -51.7 51.4 18.3 39.9 493 236 B V H X S+ 0 0 0 -4,-3.7 4,-3.4 1,-0.2 5,-0.2 0.914 111.7 49.9 -61.9 -49.8 54.2 16.4 38.2 494 237 B N H X S+ 0 0 44 -4,-2.8 4,-3.5 -5,-0.3 5,-0.3 0.892 109.9 50.3 -58.4 -42.2 52.2 13.1 37.6 495 238 B L H X S+ 0 0 31 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.893 114.1 46.7 -60.8 -41.8 49.3 15.0 36.0 496 239 B T H X S+ 0 0 0 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.974 116.7 43.0 -63.4 -52.1 51.9 16.8 33.8 497 240 B T H X S+ 0 0 6 -4,-3.4 4,-1.7 1,-0.2 -2,-0.2 0.931 113.9 49.2 -58.0 -51.8 53.7 13.6 32.9 498 241 B D H < S+ 0 0 106 -4,-3.5 -1,-0.2 1,-0.2 -2,-0.2 0.867 111.0 52.3 -59.3 -39.8 50.6 11.4 32.3 499 242 B F H < S+ 0 0 35 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.862 109.1 47.2 -69.7 -38.2 49.1 14.0 30.1 500 243 B L H < 0 0 0 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.672 360.0 360.0 -84.7 -15.3 52.1 14.3 27.9 501 244 B Q < 0 0 160 -4,-1.7 -3,-0.1 -3,-0.2 -4,-0.1 0.559 360.0 360.0 33.1 360.0 52.5 10.4 27.5