==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-JAN-10 3LAC . COMPND 2 MOLECULE: PYRROLIDONE-CARBOXYLATE PEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS; . AUTHOR S.M.ANDERSON,Z.WAWRZAK,O.ONOPRIYENKO,J.HASSEMAN,A.EDWARDS, . 408 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17667.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 262 64.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 54 13.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 20 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 107 26.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 0 0 1 1 0 2 0 0 4 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 4 0 0 2 2 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 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 1 A X 0 0 161 0, 0.0 2,-0.2 0, 0.0 34,-0.2 0.000 360.0 360.0 360.0 113.0 10.9 89.7 74.3 2 2 A K E -a 35 0A 92 32,-1.9 34,-2.9 60,-0.0 2,-0.4 -0.553 360.0-116.6 -77.9 162.0 10.1 86.0 74.2 3 3 A T E -a 36 0A 24 32,-0.2 61,-1.5 58,-0.2 60,-1.4 -0.889 24.0-167.2-119.7 134.8 12.5 83.9 76.4 4 4 A V E -ab 37 64A 1 32,-2.4 34,-3.1 -2,-0.4 2,-0.7 -0.977 20.9-150.1-108.7 117.1 15.2 81.2 75.9 5 5 A L E -ab 38 65A 0 59,-2.9 61,-3.1 -2,-0.5 2,-0.5 -0.803 15.8-174.4 -89.7 111.1 16.2 79.7 79.3 6 6 A L E -ab 39 66A 0 32,-2.7 34,-2.5 -2,-0.7 2,-0.3 -0.936 4.0-169.4-104.1 132.8 19.8 78.5 79.2 7 7 A T E +ab 40 67A 0 59,-2.0 61,-2.2 -2,-0.5 2,-0.3 -0.916 11.6 179.9-121.0 152.2 21.2 76.6 82.2 8 8 A G E -a 41 0A 0 32,-1.4 34,-2.7 -2,-0.3 2,-0.1 -0.919 31.1-108.3-136.5 162.2 24.7 75.5 83.2 9 9 A F E -a 42 0A 6 59,-0.3 12,-0.4 -2,-0.3 9,-0.1 -0.466 31.9-101.0 -90.2 161.8 25.7 73.6 86.4 10 10 A D - 0 0 36 32,-1.8 -1,-0.1 1,-0.1 7,-0.1 -0.374 59.6 -71.1 -73.5 164.2 27.6 74.8 89.4 11 11 A P - 0 0 45 0, 0.0 2,-0.5 0, 0.0 33,-0.2 -0.290 56.5-133.8 -55.8 132.8 31.3 74.0 89.7 12 12 A F > - 0 0 61 5,-0.3 3,-1.8 1,-0.2 5,-0.1 -0.792 58.1 -27.6 -92.7 132.6 31.7 70.3 90.5 13 13 A G T 3 S- 0 0 60 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.763 127.5 -24.9 40.2 60.7 34.0 68.8 93.1 14 14 A G T 3 S+ 0 0 83 1,-0.4 -1,-0.3 -3,-0.2 2,-0.2 0.249 98.4 132.1 96.6 -15.9 36.9 71.2 93.7 15 15 A E < - 0 0 84 -3,-1.8 -1,-0.4 1,-0.1 3,-0.1 -0.473 54.0-143.6 -66.5 139.6 36.7 72.8 90.2 16 16 A S S S+ 0 0 106 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.1 0.892 79.4 14.9 -73.6 -35.9 36.8 76.5 90.4 17 17 A I - 0 0 66 -7,-0.1 -5,-0.3 -5,-0.1 -1,-0.1 -0.854 67.9-128.1-134.9 165.0 34.4 77.0 87.5 18 18 A N > - 0 0 17 -2,-0.3 4,-2.7 -7,-0.2 3,-0.3 -0.979 12.8-150.1-114.8 120.1 32.0 75.0 85.4 19 19 A P H > S+ 0 0 2 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.892 96.8 55.6 -57.4 -38.7 32.5 75.2 81.6 20 20 A A H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.905 112.1 43.1 -59.8 -43.2 28.7 74.7 80.9 21 21 A W H > S+ 0 0 48 -12,-0.4 4,-3.8 -3,-0.3 5,-0.2 0.913 109.8 55.4 -68.6 -45.2 27.9 77.7 83.2 22 22 A E H X S+ 0 0 63 -4,-2.7 4,-1.5 1,-0.2 -2,-0.2 0.871 111.5 46.1 -57.2 -37.9 30.7 79.9 81.8 23 23 A V H < S+ 0 0 0 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.935 115.2 45.0 -68.0 -46.4 29.2 79.3 78.3 24 24 A A H >X S+ 0 0 0 -4,-2.2 3,-1.7 -5,-0.2 4,-0.6 0.946 112.3 53.7 -61.7 -44.9 25.6 80.0 79.4 25 25 A K H >< S+ 0 0 123 -4,-3.8 3,-1.0 1,-0.3 -1,-0.2 0.857 102.4 55.5 -55.7 -41.1 26.8 83.0 81.4 26 26 A S T 3< S+ 0 0 57 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.478 110.6 49.1 -77.2 2.2 28.6 84.6 78.4 27 27 A L T X4 S+ 0 0 2 -3,-1.7 3,-2.0 -4,-0.2 10,-0.3 0.441 79.0 129.3-117.4 -8.6 25.2 84.4 76.6 28 28 A H T << S+ 0 0 73 -3,-1.0 10,-0.2 -4,-0.6 3,-0.1 -0.204 81.2 3.8 -50.2 133.7 23.0 85.9 79.3 29 29 A E T 3 S+ 0 0 117 8,-2.5 -1,-0.3 1,-0.2 2,-0.1 0.511 90.3 146.4 63.6 8.0 20.7 88.6 77.9 30 30 A K < - 0 0 94 -3,-2.0 7,-2.8 7,-0.1 2,-0.4 -0.492 43.0-135.0 -72.7 145.8 21.9 88.2 74.3 31 31 A T E +C 36 0A 71 5,-0.2 2,-0.4 -2,-0.1 5,-0.2 -0.851 24.6 176.7-102.0 137.1 19.1 88.8 71.8 32 32 A I E > -C 35 0A 22 3,-3.3 3,-2.0 -2,-0.4 2,-0.1 -0.902 63.4 -48.7-141.3 113.7 18.6 86.5 68.8 33 33 A G T 3 S- 0 0 66 -2,-0.4 -1,-0.0 1,-0.3 169,-0.0 -0.423 122.5 -20.9 60.3-130.1 15.7 87.3 66.5 34 34 A E T 3 S+ 0 0 144 -2,-0.1 -32,-1.9 167,-0.1 2,-0.4 0.268 124.2 89.6 -88.4 10.0 12.6 87.9 68.6 35 35 A Y E < -aC 2 32A 17 -3,-2.0 -3,-3.3 -34,-0.2 2,-0.4 -0.879 57.5-157.4-118.9 141.4 14.1 86.0 71.6 36 36 A K E -aC 3 31A 55 -34,-2.9 -32,-2.4 -2,-0.4 2,-0.4 -0.944 21.3-128.2-113.5 138.0 16.2 87.0 74.5 37 37 A I E -a 4 0A 1 -7,-2.8 -8,-2.5 -2,-0.4 2,-0.5 -0.696 17.2-167.7 -85.6 130.8 18.4 84.5 76.4 38 38 A I E -a 5 0A 26 -34,-3.1 -32,-2.7 -2,-0.4 2,-0.4 -0.991 11.7-156.5-115.6 121.1 18.2 84.2 80.2 39 39 A S E +a 6 0A 5 -2,-0.5 2,-0.3 -34,-0.2 -32,-0.2 -0.819 15.7 174.7-103.2 134.1 21.0 82.2 81.7 40 40 A K E -a 7 0A 62 -34,-2.5 -32,-1.4 -2,-0.4 2,-0.4 -0.994 25.0-124.3-144.8 146.9 20.6 80.5 85.1 41 41 A Q E -a 8 0A 64 -2,-0.3 -32,-0.2 -34,-0.2 -34,-0.1 -0.732 17.4-163.0 -96.9 132.0 22.7 78.1 87.2 42 42 A V E -a 9 0A 0 -34,-2.7 -32,-1.8 -2,-0.4 2,-0.1 -0.897 27.0-112.1-107.8 147.6 21.6 74.7 88.5 43 43 A P - 0 0 24 0, 0.0 2,-1.9 0, 0.0 9,-0.1 -0.503 24.9-120.2 -71.7 145.6 23.3 72.8 91.4 44 44 A T S S+ 0 0 7 -33,-0.2 50,-2.6 -2,-0.1 2,-0.4 -0.490 76.3 116.1 -79.9 67.1 25.1 69.5 90.4 45 45 A V S > S- 0 0 2 -2,-1.9 4,-2.0 48,-0.2 5,-0.3 -1.000 71.9-109.4-144.9 135.8 23.0 67.6 92.8 46 46 A F T 4 S- 0 0 9 -2,-0.4 2,-1.5 1,-0.2 96,-0.1 -0.454 99.2 -2.4 -67.9 131.5 20.4 64.9 92.3 47 47 A H T > S+ 0 0 101 -2,-0.2 4,-2.0 1,-0.2 -1,-0.2 -0.257 123.8 70.5 81.1 -46.3 16.8 66.0 92.9 48 48 A K H > S+ 0 0 102 -2,-1.5 4,-2.3 1,-0.2 5,-0.2 0.875 93.2 58.0 -64.9 -38.7 17.8 69.5 93.9 49 49 A S H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.932 106.5 48.1 -57.8 -47.0 18.8 70.3 90.4 50 50 A I H > S+ 0 0 20 -5,-0.3 4,-3.1 2,-0.2 5,-0.2 0.959 110.9 49.7 -58.6 -52.7 15.2 69.5 89.1 51 51 A S H X S+ 0 0 62 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.903 111.5 49.9 -50.7 -44.5 13.5 71.6 91.8 52 52 A V H X S+ 0 0 30 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.870 111.6 47.7 -65.9 -39.1 15.7 74.5 91.0 53 53 A L H X S+ 0 0 2 -4,-2.0 4,-2.3 1,-0.2 5,-0.2 0.931 108.3 54.7 -69.7 -45.7 15.0 74.2 87.3 54 54 A K H X S+ 0 0 95 -4,-3.1 4,-2.8 2,-0.2 -2,-0.2 0.876 106.6 53.6 -50.5 -39.5 11.2 73.9 87.9 55 55 A E H X S+ 0 0 119 -4,-1.8 4,-3.1 -5,-0.2 5,-0.2 0.965 108.9 46.2 -63.9 -53.5 11.5 77.2 89.9 56 56 A Y H X S+ 0 0 44 -4,-1.8 4,-2.6 2,-0.2 5,-0.3 0.871 113.4 50.0 -52.3 -42.1 13.1 79.1 87.0 57 57 A I H X S+ 0 0 4 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.958 112.5 47.4 -65.1 -48.0 10.6 77.7 84.5 58 58 A E H < S+ 0 0 142 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.929 117.0 43.0 -54.9 -49.5 7.7 78.7 86.8 59 59 A E H < S+ 0 0 125 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.839 125.9 29.9 -70.9 -34.5 9.1 82.2 87.3 60 60 A L H < S- 0 0 49 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.650 79.5-150.8-102.4 -18.0 10.1 82.9 83.7 61 61 A A < - 0 0 63 -4,-2.8 -58,-0.2 -5,-0.3 -4,-0.1 0.874 28.6-164.2 46.5 48.2 7.6 80.9 81.6 62 62 A P - 0 0 0 0, 0.0 -58,-0.2 0, 0.0 -1,-0.1 -0.232 25.6-139.2 -68.6 148.7 10.3 80.6 78.9 63 63 A E S S+ 0 0 65 -60,-1.4 99,-1.8 1,-0.2 2,-0.3 0.826 89.6 21.7 -68.9 -32.7 9.3 79.5 75.4 64 64 A F E -bd 4 162A 21 -61,-1.5 -59,-2.9 97,-0.2 2,-0.5 -0.989 65.2-159.1-139.6 142.3 12.3 77.2 75.1 65 65 A I E -bd 5 163A 0 97,-2.2 99,-2.0 -2,-0.3 2,-0.5 -0.981 8.2-179.0-123.6 122.9 14.7 75.6 77.6 66 66 A I E -bd 6 164A 0 -61,-3.1 -59,-2.0 -2,-0.5 2,-0.4 -0.972 9.2-163.8-119.4 117.9 18.2 74.4 76.7 67 67 A C E -bd 7 165A 0 97,-2.5 99,-2.0 -2,-0.5 2,-0.4 -0.836 8.8-154.0 -97.9 138.8 20.2 72.8 79.5 68 68 A I E + d 0 166A 0 -61,-2.2 -59,-0.3 -2,-0.4 2,-0.3 -0.945 19.9 162.1-118.4 137.3 23.9 72.5 79.0 69 69 A G E - d 0 167A 1 97,-1.9 99,-2.3 -2,-0.4 2,-0.4 -0.888 35.0-108.9-138.8 173.7 26.3 69.9 80.6 70 70 A Q E - d 0 168A 40 -2,-0.3 2,-0.5 97,-0.3 73,-0.1 -0.877 16.9-169.9-108.9 134.3 29.7 68.5 80.0 71 71 A A > - 0 0 14 97,-2.9 3,-2.0 -2,-0.4 99,-0.3 -0.786 23.6-148.4-116.9 87.0 30.4 65.0 78.7 72 72 A G T 3 S+ 0 0 42 -2,-0.5 111,-0.1 1,-0.3 -2,-0.0 -0.275 80.5 33.9 -58.4 132.5 34.2 64.7 79.1 73 73 A G T 3 S+ 0 0 25 109,-0.5 -1,-0.3 1,-0.4 110,-0.1 0.014 87.0 113.3 111.1 -36.8 35.7 62.5 76.5 74 74 A R < - 0 0 58 -3,-2.0 -1,-0.4 94,-0.2 96,-0.4 -0.621 54.8-153.4 -70.0 135.5 33.3 63.4 73.6 75 75 A P S S+ 0 0 80 0, 0.0 2,-0.2 0, 0.0 108,-0.1 0.585 70.5 38.2 -81.6 -17.6 35.1 65.4 70.8 76 76 A D S S- 0 0 31 106,-0.1 2,-0.4 92,-0.1 56,-0.2 -0.731 92.9 -85.1-128.0 172.3 32.0 67.3 69.5 77 77 A I E -e 132 0A 1 54,-2.6 56,-2.3 -2,-0.2 2,-0.4 -0.707 48.3-157.6 -76.4 130.7 28.9 69.1 70.6 78 78 A T E -eF 133 167A 4 89,-2.1 89,-2.3 -2,-0.4 2,-0.6 -0.932 12.8-151.3-122.5 136.6 26.1 66.6 71.1 79 79 A I E -eF 134 166A 0 54,-2.2 56,-2.7 -2,-0.4 2,-0.4 -0.940 26.7-128.9-104.7 122.9 22.3 67.1 71.0 80 80 A E E -e 135 0A 0 85,-1.7 85,-0.4 -2,-0.6 36,-0.2 -0.597 20.4-170.7 -83.2 129.8 20.6 64.6 73.2 81 81 A R + 0 0 9 54,-2.9 33,-2.4 -2,-0.4 2,-0.3 0.797 68.7 23.0 -83.5 -32.2 17.7 62.7 71.6 82 82 A V E -G 113 0B 1 53,-0.4 56,-0.5 31,-0.3 2,-0.4 -0.997 56.6-150.6-149.6 137.4 16.3 60.9 74.7 83 83 A A E -G 112 0B 0 29,-3.1 29,-2.4 -2,-0.3 2,-0.3 -0.931 23.9-146.9-109.5 130.8 16.3 61.3 78.5 84 84 A I E -G 111 0B 7 -2,-0.4 2,-2.1 55,-0.3 27,-0.2 -0.795 16.4-122.4-108.6 146.1 16.0 58.0 80.5 85 85 A N S S+ 0 0 7 25,-2.9 2,-0.3 -2,-0.3 26,-0.1 -0.250 79.0 85.1 -83.4 54.1 14.3 57.4 83.9 86 86 A I - 0 0 17 -2,-2.1 2,-0.5 17,-0.2 -2,-0.2 -0.981 57.3-152.1-153.0 141.8 17.3 56.1 85.8 87 87 A D B +H 102 0C 0 15,-2.5 15,-2.0 -2,-0.3 14,-0.4 -0.971 20.9 167.3-109.2 126.5 20.2 57.5 87.8 88 88 A D - 0 0 28 52,-2.5 2,-0.3 -2,-0.5 12,-0.2 -0.745 16.9-169.7-143.7 88.1 23.3 55.2 87.9 89 89 A A - 0 0 4 10,-3.1 52,-0.1 -2,-0.3 3,-0.1 -0.645 25.4-168.6-101.6 132.6 26.1 57.2 89.2 90 90 A R S S+ 0 0 212 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.785 84.5 21.7 -82.2 -36.3 29.8 56.2 89.2 91 91 A I S S- 0 0 60 6,-0.1 2,-0.1 8,-0.1 -1,-0.1 -0.830 94.0 -92.7-123.9 170.3 30.7 59.0 91.6 92 92 A A - 0 0 38 -2,-0.3 6,-0.3 6,-0.1 -2,-0.1 -0.414 36.1-121.7 -78.2 155.2 28.8 61.1 94.1 93 93 A D > - 0 0 8 4,-2.3 3,-1.6 -2,-0.1 -48,-0.2 -0.094 50.0 -74.7 -77.5-173.2 27.3 64.5 93.2 94 94 A N T 3 S+ 0 0 57 -50,-2.6 -49,-0.1 1,-0.3 -2,-0.1 0.654 134.3 47.0 -62.1 -16.2 28.2 67.7 95.0 95 95 A E T 3 S- 0 0 105 -51,-0.3 -1,-0.3 2,-0.2 -50,-0.1 0.238 122.8 -98.3-114.9 15.0 26.1 66.6 98.1 96 96 A G S < S+ 0 0 55 -3,-1.6 2,-0.6 1,-0.3 -2,-0.1 0.660 74.2 142.1 86.1 18.7 27.4 63.1 98.3 97 97 A N + 0 0 72 1,-0.0 -4,-2.3 2,-0.0 -1,-0.3 -0.853 17.8 169.3 -95.8 126.2 24.6 61.2 96.6 98 98 A Q - 0 0 92 -2,-0.6 -6,-0.1 -6,-0.3 2,-0.1 -0.707 16.8-169.9-132.6 76.2 25.8 58.3 94.4 99 99 A P - 0 0 24 0, 0.0 -10,-3.1 0, 0.0 2,-0.5 -0.423 11.0-149.7 -73.1 140.2 22.5 56.5 93.5 100 100 A V S S- 0 0 83 -12,-0.2 -12,-0.2 1,-0.2 -10,-0.0 -0.954 72.8 -26.2-111.1 115.0 22.8 53.1 91.8 101 101 A D S S+ 0 0 56 -2,-0.5 -13,-0.2 -14,-0.4 -1,-0.2 0.928 89.7 149.6 49.4 55.5 19.9 52.3 89.4 102 102 A V B -H 87 0C 52 -15,-2.0 -15,-2.5 -3,-0.1 -1,-0.2 -0.963 49.6-111.1-116.4 134.1 17.3 54.5 91.0 103 103 A P - 0 0 43 0, 0.0 3,-0.3 0, 0.0 -17,-0.2 -0.281 11.7-138.5 -61.9 150.6 14.5 56.0 89.0 104 104 A V S S+ 0 0 8 1,-0.4 2,-0.4 2,-0.1 -19,-0.1 0.902 101.1 11.7 -68.1 -49.4 14.5 59.8 88.5 105 105 A V S > S- 0 0 22 4,-0.2 3,-1.8 1,-0.1 -1,-0.4 -0.974 77.2-149.3-130.1 115.0 10.7 59.9 89.0 106 106 A E T 3 S+ 0 0 156 -2,-0.4 -1,-0.1 -3,-0.3 -2,-0.1 0.828 98.1 42.2 -55.4 -33.6 9.4 56.6 90.4 107 107 A E T 3 S+ 0 0 164 -3,-0.1 -1,-0.3 -4,-0.0 0, 0.0 0.480 97.4 107.8 -91.8 1.3 6.0 57.0 88.6 108 108 A G S < S- 0 0 17 -3,-1.8 2,-0.0 1,-0.1 -23,-0.0 -0.175 76.1 -94.2 -83.0 164.6 7.4 58.3 85.4 109 109 A P - 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0 0 53 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 -0.384 42.9-106.5 -69.0 153.8 6.0 54.7 75.0 315 110 B A S S+ 0 0 15 -204,-0.4 -25,-2.9 -26,-0.1 2,-0.3 0.755 93.2 2.3 -51.9 -31.9 9.3 56.4 74.2 316 111 B A E -O 289 0E 4 -27,-0.2 -206,-0.4 -205,-0.2 2,-0.4 -0.980 53.5-149.3-153.8 160.5 11.3 53.5 75.8 317 112 B Y E -O 288 0E 33 -29,-2.1 -29,-2.8 -2,-0.3 2,-0.1 -0.990 25.0-129.0-127.4 132.9 11.3 50.0 77.4 318 113 B W E -O 287 0E 76 -2,-0.4 -31,-0.2 -31,-0.2 -32,-0.1 -0.505 28.6-113.4 -68.9 143.2 13.8 48.8 80.0 319 114 B S - 0 0 6 -33,-2.5 50,-0.2 -2,-0.1 -1,-0.1 -0.386 19.5-147.8 -59.4 156.4 15.4 45.4 79.3 320 115 B T + 0 0 55 48,-3.2 49,-0.2 -2,-0.1 -1,-0.1 0.256 59.9 112.3-120.5 16.9 14.4 42.9 82.0 321 116 B L S S- 0 0 6 47,-0.5 2,-2.2 -36,-0.2 3,-0.2 -0.516 85.7-104.8 -73.3 153.1 17.5 40.8 82.0 322 117 B P > + 0 0 29 0, 0.0 4,-2.0 0, 0.0 5,-0.2 -0.474 52.6 173.7 -75.7 76.1 19.6 41.0 85.2 323 118 B X H > + 0 0 25 -2,-2.2 4,-2.1 1,-0.2 5,-0.2 0.803 68.0 48.8 -67.4 -37.8 22.1 43.3 83.5 324 119 B K H > S+ 0 0 74 1,-0.2 4,-2.6 -3,-0.2 -1,-0.2 0.943 114.6 47.4 -67.5 -43.2 24.4 44.2 86.3 325 120 B A H > S+ 0 0 34 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.857 110.9 50.7 -61.9 -34.8 24.7 40.6 87.4 326 121 B I H X S+ 0 0 0 -4,-2.0 4,-3.0 2,-0.2 -1,-0.2 0.957 112.5 46.6 -71.8 -44.8 25.4 39.4 83.8 327 122 B V H X S+ 0 0 14 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.889 112.4 50.6 -65.2 -40.3 28.1 41.9 83.4 328 123 B K H X S+ 0 0 129 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.934 112.3 46.7 -59.7 -48.0 29.6 41.1 86.8 329 124 B K H X S+ 0 0 56 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.963 111.3 50.7 -61.7 -48.7 29.6 37.4 86.0 330 125 B L H <>S+ 0 0 0 -4,-3.0 5,-2.8 1,-0.2 -2,-0.2 0.926 112.1 47.1 -55.2 -52.6 31.2 37.8 82.5 331 126 B Q H ><5S+ 0 0 113 -4,-2.2 3,-1.5 3,-0.2 -1,-0.2 0.866 108.5 55.3 -55.0 -42.2 34.0 40.0 83.9 332 127 B E H 3<5S+ 0 0 123 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.910 108.9 48.4 -57.2 -39.9 34.6 37.5 86.7 333 128 B E T 3<5S- 0 0 80 -4,-2.3 -1,-0.3 2,-0.1 -2,-0.2 0.292 125.6-101.7 -91.3 10.6 35.1 34.8 84.1 334 129 B G T < 5S+ 0 0 61 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.713 80.1 132.1 84.8 20.9 37.5 37.0 82.0 335 130 B I < - 0 0 7 -5,-2.8 -1,-0.2 -6,-0.2 -2,-0.1 -0.905 59.7-125.7-104.2 108.1 34.9 38.1 79.3 336 131 B P + 0 0 69 0, 0.0 -54,-2.2 0, 0.0 2,-0.3 -0.219 47.3 155.0 -50.8 134.6 35.0 41.9 78.7 337 132 B A E +m 282 0D 5 -56,-0.2 2,-0.3 -10,-0.1 -54,-0.2 -0.989 18.4 173.7-165.1 145.5 31.4 43.2 79.2 338 133 B S E -m 283 0D 40 -56,-1.7 -54,-2.2 -2,-0.3 2,-0.3 -0.956 37.8-100.0-150.3 166.1 29.6 46.5 80.0 339 134 B V E -m 284 0D 27 -2,-0.3 2,-0.4 -56,-0.2 -54,-0.2 -0.734 38.3-151.9 -88.5 137.3 26.0 47.9 80.2 340 135 B S E -m 285 0D 12 -56,-2.2 -54,-2.8 -2,-0.3 -53,-0.4 -0.927 14.9-158.8-107.9 143.5 25.1 49.9 77.2 341 136 B Q S S+ 0 0 41 -2,-0.4 2,-0.4 1,-0.2 -203,-0.1 0.408 80.5 46.7 -99.9 -1.2 22.6 52.8 77.2 342 137 B T - 0 0 32 -205,-0.1 -1,-0.2 1,-0.1 3,-0.1 -0.951 49.2-173.8-143.2 128.8 22.0 52.7 73.4 343 138 B A - 0 0 5 -56,-0.5 6,-0.4 1,-0.4 3,-0.3 0.230 56.9-114.8 -92.6 8.7 21.3 49.7 71.2 344 139 B G - 0 0 24 1,-0.2 -1,-0.4 4,-0.1 -55,-0.3 -0.318 26.3 -84.4 84.8-171.5 21.5 52.1 68.2 345 140 B T S S+ 0 0 23 -52,-0.2 -52,-2.1 -3,-0.1 -1,-0.2 0.092 92.1 92.2-122.7 20.8 18.6 53.0 65.9 346 141 B F S > S- 0 0 35 -3,-0.3 4,-1.9 -54,-0.2 3,-0.2 -0.054 100.2 -62.2 -97.7-159.1 18.8 50.1 63.4 347 142 B V H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.865 128.6 61.2 -59.8 -35.7 17.0 46.7 63.2 348 143 B X H > S+ 0 0 26 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.929 108.6 39.1 -60.1 -48.3 18.6 45.6 66.4 349 144 B N H > S+ 0 0 0 -6,-0.4 4,-2.6 -3,-0.2 -1,-0.2 0.871 114.5 57.2 -71.0 -29.9 17.1 48.3 68.6 350 145 B H H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.930 109.9 42.8 -59.6 -50.7 13.9 47.9 66.6 351 146 B L H X S+ 0 0 0 -4,-2.9 4,-3.0 2,-0.2 -2,-0.2 0.932 112.4 54.4 -64.3 -43.4 13.6 44.2 67.5 352 147 B F H X S+ 0 0 0 -4,-2.3 4,-2.8 -5,-0.3 5,-0.2 0.923 110.6 46.3 -52.1 -46.1 14.6 44.9 71.1 353 148 B Y H X S+ 0 0 0 -4,-2.6 4,-3.3 2,-0.2 -1,-0.2 0.932 111.7 50.2 -68.7 -43.3 11.8 47.4 71.4 354 149 B G H X S+ 0 0 4 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.877 111.3 51.1 -59.6 -41.6 9.3 45.0 69.8 355 150 B L H X S+ 0 0 1 -4,-3.0 4,-3.1 2,-0.2 -2,-0.2 0.983 112.8 42.7 -57.3 -59.1 10.4 42.4 72.2 356 151 B X H X S+ 0 0 7 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.910 113.4 53.8 -61.2 -43.9 10.0 44.6 75.3 357 152 B H H < S+ 0 0 30 -4,-3.3 4,-0.4 -5,-0.2 -1,-0.2 0.900 110.7 46.7 -55.3 -42.8 6.6 45.9 73.8 358 153 B E H >< S+ 0 0 19 -4,-2.5 3,-1.5 -5,-0.2 -2,-0.2 0.957 111.7 51.2 -63.1 -45.6 5.4 42.3 73.4 359 154 B L H ><>S+ 0 0 9 -4,-3.1 3,-2.1 1,-0.3 5,-0.5 0.751 92.4 73.2 -66.7 -27.0 6.6 41.4 77.0 360 155 B E G ><5S+ 0 0 117 -4,-1.8 3,-0.6 1,-0.3 -1,-0.3 0.746 92.1 59.9 -58.3 -21.3 4.8 44.3 78.6 361 156 B K G < 5S+ 0 0 125 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.495 96.3 61.5 -86.3 -1.8 1.5 42.4 78.0 362 157 B H G X 5S- 0 0 75 -3,-2.1 3,-1.7 -4,-0.1 -1,-0.2 0.261 99.3-124.3-115.3 10.5 2.6 39.4 80.1 363 158 B D T < 5 - 0 0 142 -3,-0.6 -3,-0.1 1,-0.3 -2,-0.1 0.768 69.9 -53.2 58.0 38.1 3.0 40.9 83.6 364 159 B T T 3 > - 0 0 16 12,-0.2 4,-2.3 1,-0.1 3,-0.6 -0.530 32.9-106.7 -79.3 159.8 34.7 38.6 64.8 377 172 B P H 3> S+ 0 0 61 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.920 120.9 58.5 -58.9 -39.8 38.4 39.0 64.0 378 173 B E H 34 S+ 0 0 124 1,-0.2 4,-0.3 2,-0.2 12,-0.0 0.881 110.6 43.6 -58.5 -31.6 37.8 38.0 60.4 379 174 B Q H X4 S+ 0 0 22 -3,-0.6 3,-1.8 1,-0.2 4,-0.2 0.946 112.4 49.0 -76.4 -47.6 35.4 41.0 60.1 380 175 B A H >< S+ 0 0 8 -4,-2.3 3,-2.3 1,-0.3 6,-0.4 0.793 95.8 74.9 -68.0 -22.5 37.6 43.6 62.0 381 176 B S T 3< S+ 0 0 92 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.751 91.7 56.3 -60.3 -21.2 40.5 42.5 59.8 382 177 B N T < S+ 0 0 105 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.546 104.0 58.9 -84.4 -9.7 38.9 44.5 57.0 383 178 B Y S X S- 0 0 125 -3,-2.3 3,-2.0 -4,-0.2 -1,-0.2 -0.931 87.8-123.0-128.7 111.7 38.7 47.8 59.0 384 179 B P T 3 S+ 0 0 130 0, 0.0 -3,-0.1 0, 0.0 -2,-0.1 -0.149 91.8 6.7 -55.2 132.8 41.9 49.4 60.4 385 180 B G T 3 S+ 0 0 82 1,-0.2 -4,-0.1 -4,-0.1 -5,-0.0 0.452 91.8 137.6 77.5 6.9 41.9 49.9 64.1 386 181 B Q < - 0 0 86 -3,-2.0 -1,-0.2 -6,-0.4 -3,-0.1 -0.633 48.2-127.5 -88.0 139.6 38.7 48.1 64.9 387 182 B P - 0 0 40 0, 0.0 -12,-0.5 0, 0.0 -109,-0.5 -0.370 27.8-175.9 -77.6 166.6 38.3 45.7 67.8 388 183 B S - 0 0 53 -108,-0.2 2,-0.3 -14,-0.1 -12,-0.2 -0.916 18.5-153.8-154.5 166.6 37.1 42.1 67.7 389 184 B X - 0 0 14 -14,-2.2 2,-0.0 -2,-0.3 -108,-0.0 -0.973 29.8-112.7-144.7 142.0 36.3 39.0 69.8 390 185 B S > - 0 0 41 -2,-0.3 4,-2.8 -14,-0.2 5,-0.2 -0.380 27.0-112.4 -74.8 158.9 36.4 35.4 68.7 391 186 B L H > S+ 0 0 66 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.838 117.6 51.1 -53.4 -39.4 33.3 33.2 68.3 392 187 B S H > S+ 0 0 86 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.910 108.4 48.7 -78.4 -32.4 34.3 31.1 71.3 393 188 B T H > S+ 0 0 48 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.967 116.0 46.1 -62.9 -48.4 34.9 34.0 73.6 394 189 B I H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.933 110.7 52.8 -58.1 -45.6 31.5 35.3 72.5 395 190 B R H X S+ 0 0 80 -4,-3.1 4,-2.6 1,-0.3 5,-0.2 0.919 108.4 49.5 -54.8 -48.8 29.9 31.9 72.9 396 191 B K H X S+ 0 0 84 -4,-2.4 4,-2.2 1,-0.2 -1,-0.3 0.896 111.1 50.8 -62.4 -38.1 31.2 31.6 76.4 397 192 B G H X S+ 0 0 0 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.902 110.8 47.1 -70.6 -37.5 29.9 35.0 77.3 398 193 B I H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 5,-0.2 0.922 111.3 51.8 -64.0 -44.9 26.3 34.3 75.9 399 194 B E H X S+ 0 0 58 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.949 110.6 48.2 -60.6 -43.8 26.2 31.0 77.8 400 195 B L H X S+ 0 0 10 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.877 108.5 55.2 -59.9 -37.0 27.2 32.7 81.0 401 196 B A H X S+ 0 0 1 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.887 107.9 48.5 -61.5 -42.7 24.5 35.4 80.3 402 197 B V H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.902 109.2 53.9 -63.7 -44.0 21.9 32.7 80.1 403 198 B E H X S+ 0 0 77 -4,-2.3 4,-0.6 -5,-0.2 -2,-0.2 0.943 112.0 43.1 -54.9 -52.0 23.1 31.1 83.3 404 199 B V H >X S+ 0 0 10 -4,-2.3 3,-1.1 1,-0.2 4,-0.7 0.932 113.9 52.3 -62.4 -41.3 22.8 34.4 85.2 405 200 B T H >< S+ 0 0 1 -4,-2.3 3,-0.5 1,-0.3 -1,-0.2 0.889 109.8 47.7 -65.7 -40.1 19.4 35.1 83.6 406 201 B T H 3< S+ 0 0 13 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.500 122.6 31.9 -77.8 -8.2 17.9 31.8 84.6 407 202 B T H << S+ 0 0 104 -3,-1.1 2,-0.4 -4,-0.6 -1,-0.2 0.214 102.1 77.4-130.9 12.9 19.1 31.9 88.2 408 203 B V << 0 0 59 -4,-0.7 -1,-0.2 -3,-0.5 -83,-0.1 -0.878 360.0 360.0-143.4 97.3 19.0 35.5 89.3 409 204 B E 0 0 162 -2,-0.4 -4,-0.0 -3,-0.1 -3,-0.0 -0.964 360.0 360.0-132.2 360.0 15.7 37.1 90.1