==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-AUG-02 1MB9 . COMPND 2 MOLECULE: BETA-LACTAM SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES CLAVULIGERUS; . AUTHOR M.T.MILLER,B.O.BACHMANN,C.A.TOWNSEND,A.C.ROSENZWEIG . 982 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37340.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 653 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 133 13.5 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 . 9 0.9 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 . 49 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 122 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 270 27.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.2 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 5 3 2 3 3 0 3 3 1 2 1 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 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 0 PARALLEL BRIDGES PER LADDER . 1 5 1 3 7 5 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 . 1 0 0 2 2 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 4 A P 0 0 142 0, 0.0 4,-0.1 0, 0.0 231,-0.1 0.000 360.0 360.0 360.0 13.7 -22.3 105.6 79.9 2 5 A V + 0 0 37 227,-0.1 227,-0.1 2,-0.1 230,-0.0 0.835 360.0 43.3 -74.0 -34.5 -18.8 104.1 79.2 3 6 A L S S- 0 0 23 1,-0.1 330,-0.1 330,-0.1 4,-0.0 -0.828 94.9 -93.0-116.6 152.9 -20.0 100.4 79.0 4 7 A P - 0 0 4 0, 0.0 44,-0.4 0, 0.0 69,-0.1 -0.187 37.3-113.1 -57.1 153.4 -23.0 98.7 77.3 5 8 A A S S+ 0 0 19 67,-0.4 2,-0.3 1,-0.2 51,-0.2 0.784 102.0 8.3 -59.1 -29.3 -26.1 98.2 79.5 6 9 A A - 0 0 0 66,-0.3 66,-2.1 41,-0.1 41,-0.3 -0.989 55.6-155.4-150.9 150.2 -25.3 94.5 79.2 7 10 A F S S- 0 0 5 39,-3.0 2,-0.2 -2,-0.3 40,-0.2 0.783 75.4 -35.7 -94.6 -35.6 -22.5 92.3 77.8 8 11 A G E -A 46 0A 0 38,-1.7 38,-1.8 62,-0.1 2,-0.3 -0.889 57.7-152.9-164.6-165.8 -24.6 89.2 77.1 9 12 A F E -A 45 0A 0 -2,-0.2 142,-2.1 36,-0.2 143,-0.4 -0.992 21.0-132.7-174.9 168.8 -27.5 87.0 78.3 10 13 A L E +AB 44 150A 18 34,-1.2 34,-2.6 -2,-0.3 2,-0.3 -0.976 37.8 178.5-133.5 115.2 -29.3 83.7 78.6 11 14 A A E -AB 43 149A 2 138,-3.4 138,-2.4 -2,-0.4 2,-0.4 -0.884 14.7-160.2-123.5 156.6 -33.0 84.1 77.8 12 15 A S E -AB 42 148A 14 30,-3.0 30,-2.4 -2,-0.3 2,-0.6 -0.991 4.2-164.2-140.4 130.0 -35.9 81.7 77.6 13 16 A A E -AB 41 147A 2 134,-3.1 134,-1.7 -2,-0.4 2,-0.5 -0.958 13.2-176.0-115.1 115.5 -39.3 82.0 75.8 14 17 A R E - B 0 146A 116 26,-0.9 132,-0.2 -2,-0.6 26,-0.1 -0.953 23.1-166.0-117.1 120.5 -41.9 79.5 77.0 15 18 A T 0 0 43 130,-2.4 -1,-0.1 -2,-0.5 131,-0.1 0.714 360.0 360.0 -72.3 -17.5 -45.3 79.2 75.3 16 19 A G 0 0 55 129,-0.6 -1,-0.3 -3,-0.1 23,-0.2 -0.530 360.0 360.0-140.0 360.0 -46.1 77.2 78.4 17 ! 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 18 23 A A 0 0 121 0, 0.0 2,-0.1 0, 0.0 -6,-0.0 0.000 360.0 360.0 360.0 144.8 -34.3 77.4 83.9 19 24 A P - 0 0 107 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.396 360.0 -86.0 -77.0 155.3 -31.1 76.9 85.9 20 25 A G - 0 0 67 1,-0.1 2,-0.1 -2,-0.1 0, 0.0 -0.308 47.3-121.2 -61.2 138.4 -28.6 79.8 86.5 21 26 A P - 0 0 17 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.440 11.6-150.9 -82.7 156.3 -26.1 80.4 83.7 22 27 A V - 0 0 114 -2,-0.1 2,-0.2 132,-0.1 3,-0.0 -0.972 24.0-174.0-125.4 109.2 -22.3 80.3 84.0 23 28 A F - 0 0 15 -2,-0.5 282,-0.1 2,-0.2 129,-0.0 -0.538 36.0-137.9-101.7 170.6 -20.7 82.7 81.5 24 29 A A S S+ 0 0 4 -2,-0.2 2,-0.2 280,-0.1 -1,-0.1 0.640 84.7 96.4 -93.7 -24.7 -17.1 83.4 80.5 25 30 A T S S- 0 0 8 356,-0.1 2,-0.4 1,-0.1 355,-0.3 -0.467 78.4-131.2 -66.3 135.0 -18.1 87.1 80.5 26 31 A R + 0 0 166 353,-2.5 2,-0.3 -2,-0.2 355,-0.1 -0.775 56.5 68.5 -94.4 130.1 -17.2 88.7 83.9 27 32 A G S S- 0 0 30 -2,-0.4 21,-0.2 21,-0.1 2,-0.1 -0.974 78.5 -36.9 158.1-172.9 -19.8 90.7 85.7 28 33 A S E -C 47 0A 39 19,-2.4 19,-2.3 -2,-0.3 2,-0.4 -0.476 46.0-140.1 -80.1 151.5 -23.0 91.0 87.6 29 34 A H E -C 46 0A 84 17,-0.2 2,-0.4 -2,-0.1 17,-0.2 -0.950 19.7-176.6-112.8 134.0 -26.0 88.8 86.8 30 35 A T E -C 45 0A 52 15,-2.5 15,-2.4 -2,-0.4 2,-0.4 -0.957 16.3-147.3-137.0 118.2 -29.5 90.3 86.9 31 36 A D E -C 44 0A 113 -2,-0.4 13,-0.2 13,-0.2 2,-0.1 -0.676 22.4-132.6 -81.6 130.9 -32.7 88.5 86.2 32 37 A I - 0 0 23 11,-2.1 11,-0.4 -2,-0.4 -1,-0.0 -0.481 30.4 -91.9 -82.2 155.3 -35.4 90.6 84.6 33 38 A D - 0 0 124 -2,-0.1 8,-0.1 1,-0.1 -1,-0.1 -0.214 27.7-146.9 -61.3 154.8 -38.9 90.7 85.9 34 39 A T > + 0 0 66 1,-0.1 3,-1.6 6,-0.1 5,-0.1 -0.659 26.8 165.4-127.0 75.6 -41.4 88.2 84.4 35 40 A P T 3 S+ 0 0 84 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.859 79.4 49.9 -58.5 -41.1 -44.8 90.0 84.5 36 41 A Q T > S- 0 0 62 1,-0.3 3,-2.6 5,-0.1 -2,-0.0 0.187 100.3-150.6 -85.0 18.8 -46.5 87.6 82.1 37 42 A G G X S- 0 0 33 -3,-1.6 3,-1.0 1,-0.3 -1,-0.3 -0.218 71.3 -2.8 52.9-126.7 -45.2 84.7 84.2 38 43 A E G 3 S+ 0 0 139 1,-0.3 -1,-0.3 -3,-0.1 -24,-0.2 0.537 133.5 63.4 -73.6 -6.5 -44.5 81.5 82.3 39 44 A R G < S+ 0 0 121 -3,-2.6 -1,-0.3 -23,-0.2 -2,-0.2 -0.086 96.1 69.5-109.0 33.1 -45.9 83.3 79.2 40 45 A S S < S- 0 0 7 -3,-1.0 -26,-0.9 -28,-0.1 2,-0.7 -0.500 94.1 -76.0-129.1-162.8 -43.2 86.0 79.0 41 46 A L E -A 13 0A 1 -2,-0.2 2,-0.3 -28,-0.2 -28,-0.2 -0.919 42.3-164.2-107.3 110.9 -39.5 86.4 78.2 42 47 A A E +A 12 0A 40 -30,-2.4 -30,-3.0 -2,-0.7 2,-0.3 -0.733 19.7 165.7 -91.1 142.8 -37.3 85.2 81.1 43 48 A A E -A 11 0A 5 -11,-0.4 -11,-2.1 -2,-0.3 2,-0.6 -0.979 36.1-148.4-163.1 147.8 -33.7 86.3 81.0 44 49 A T E -AC 10 31A 14 -34,-2.6 -34,-1.2 -2,-0.3 2,-0.3 -0.952 23.6-157.7-118.6 110.0 -30.4 86.6 82.9 45 50 A L E -AC 9 30A 0 -15,-2.4 -15,-2.5 -2,-0.6 2,-0.5 -0.660 2.7-154.2 -87.7 141.7 -28.3 89.6 81.9 46 51 A V E +AC 8 29A 0 -38,-1.8 -39,-3.0 -2,-0.3 -38,-1.7 -0.983 33.6 143.3-116.6 126.1 -24.6 89.7 82.5 47 52 A H E - C 0 28A 7 -19,-2.3 -19,-2.4 -2,-0.5 -41,-0.1 -0.863 53.8 -64.8-149.5 179.1 -23.1 93.2 82.8 48 53 A A > - 0 0 0 -44,-0.4 3,-2.0 -2,-0.3 -21,-0.1 -0.494 41.8-127.0 -73.9 142.0 -20.6 95.3 84.5 49 54 A P T 3 S+ 0 0 89 0, 0.0 -1,-0.1 0, 0.0 -22,-0.1 0.755 110.0 60.5 -61.2 -22.0 -21.2 95.8 88.3 50 55 A S T 3 S+ 0 0 96 2,-0.0 2,-0.4 -22,-0.0 -47,-0.1 0.458 97.3 74.0 -84.2 -2.0 -21.0 99.6 87.7 51 56 A V S < S- 0 0 30 -3,-2.0 -23,-0.1 -46,-0.1 -4,-0.1 -0.943 72.8-138.6-121.3 133.3 -23.9 99.5 85.2 52 57 A A > - 0 0 61 -2,-0.4 3,-0.6 1,-0.1 4,-0.1 -0.736 21.0-140.4 -81.0 128.6 -27.7 99.2 85.8 53 58 A P G > + 0 0 16 0, 0.0 3,-1.6 0, 0.0 4,-0.3 0.274 69.9 113.2 -76.4 15.6 -28.8 96.8 83.1 54 59 A D G > S+ 0 0 101 1,-0.3 3,-1.6 2,-0.2 38,-0.1 0.858 71.3 52.8 -54.8 -45.1 -32.1 98.8 82.5 55 60 A R G < S+ 0 0 148 -3,-0.6 39,-1.5 1,-0.3 40,-0.3 0.587 99.8 66.4 -70.4 -7.9 -31.3 100.1 79.1 56 61 A A G < S+ 0 0 2 -3,-1.6 14,-2.3 -51,-0.2 2,-0.4 0.557 100.7 56.9 -87.5 -8.9 -30.6 96.5 78.0 57 62 A V E < +G 69 0B 23 -3,-1.6 2,-0.3 -4,-0.3 12,-0.2 -0.968 60.5 172.9-126.8 140.4 -34.3 95.7 78.5 58 63 A A E -G 68 0B 9 10,-2.1 10,-3.5 -2,-0.4 2,-0.3 -0.995 7.7-167.8-144.5 148.0 -37.5 97.1 77.0 59 64 A R E +G 67 0B 84 -2,-0.3 2,-0.3 8,-0.2 8,-0.2 -0.926 11.5 161.5-133.2 157.3 -41.1 96.3 77.1 60 65 A S E -G 66 0B 22 6,-2.2 6,-2.3 -2,-0.3 -2,-0.0 -0.953 38.1-136.0-161.1 175.5 -44.2 97.4 75.2 61 66 A L + 0 0 135 -2,-0.3 2,-0.5 4,-0.2 6,-0.0 0.204 59.9 129.1-123.8 8.2 -47.8 96.3 74.4 62 67 A T S S- 0 0 79 1,-0.2 2,-0.2 4,-0.1 -2,-0.1 -0.565 89.6 -9.3 -72.9 119.1 -47.6 97.2 70.7 63 68 A G S S- 0 0 84 -2,-0.5 -1,-0.2 59,-0.0 59,-0.1 -0.155 139.9 -26.8 94.4 -47.4 -48.8 94.2 68.7 64 69 A A S S- 0 0 25 -2,-0.2 -4,-0.1 59,-0.1 -2,-0.0 -0.933 100.3 -43.9-176.0 172.8 -48.8 92.1 71.8 65 70 A P S S- 0 0 62 0, 0.0 58,-2.3 0, 0.0 2,-0.4 -0.444 72.2-170.9 -63.1 126.9 -47.1 91.8 75.2 66 71 A T E -GH 60 122B 9 -6,-2.3 -6,-2.2 56,-0.2 2,-0.4 -0.997 22.8-179.9-132.3 136.7 -43.5 92.4 74.2 67 72 A T E -GH 59 121B 4 54,-2.2 54,-2.3 -2,-0.4 2,-0.4 -0.998 8.7-167.3-132.5 127.6 -40.1 92.2 75.9 68 73 A A E -GH 58 120B 0 -10,-3.5 -10,-2.1 -2,-0.4 2,-0.4 -0.923 4.1-172.1-117.5 141.7 -36.7 93.0 74.3 69 74 A V E -GH 57 119B 0 50,-2.4 50,-2.3 -2,-0.4 2,-0.4 -1.000 8.3-174.1-131.4 129.1 -33.3 92.2 75.6 70 75 A L E - H 0 118B 4 -14,-2.3 2,-0.5 -2,-0.4 48,-0.2 -0.989 13.1-159.6-131.4 133.3 -30.1 93.5 73.9 71 76 A A E + H 0 117B 0 46,-3.4 46,-1.7 -2,-0.4 2,-0.3 -0.913 67.2 7.7-106.7 130.8 -26.4 92.8 74.5 72 77 A G E S- H 0 116B 5 -66,-2.1 -67,-0.4 -2,-0.5 -66,-0.3 -0.730 87.8 -76.8 105.0-152.6 -24.1 95.4 73.2 73 78 A E E - H 0 115B 9 42,-2.6 42,-3.0 -2,-0.3 2,-0.4 -0.936 22.6-122.7-150.4 168.9 -24.8 98.8 71.7 74 79 A I E - H 0 114B 2 -2,-0.3 40,-0.3 40,-0.2 3,-0.2 -0.935 14.2-168.9-117.7 139.9 -25.9 100.6 68.5 75 80 A Y S S+ 0 0 14 38,-2.5 2,-1.0 -2,-0.4 3,-0.4 0.823 78.1 59.8-100.6 -36.8 -23.8 103.2 66.8 76 81 A N > + 0 0 8 37,-1.3 4,-2.0 1,-0.2 5,-0.2 -0.254 66.0 138.7 -88.7 51.1 -26.0 104.9 64.2 77 82 A R H > + 0 0 111 -2,-1.0 4,-2.4 -3,-0.2 5,-0.2 0.893 64.9 51.8 -60.9 -48.3 -28.4 106.1 66.9 78 83 A D H > S+ 0 0 128 -3,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.930 111.6 49.4 -56.9 -45.8 -29.1 109.6 65.6 79 84 A E H > S+ 0 0 50 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.906 111.5 47.3 -60.8 -43.9 -30.0 108.2 62.2 80 85 A L H >< S+ 0 0 0 -4,-2.0 3,-0.7 1,-0.2 4,-0.4 0.847 110.7 52.2 -67.6 -32.7 -32.4 105.5 63.7 81 86 A L H >< S+ 0 0 66 -4,-2.4 3,-1.3 1,-0.2 -1,-0.2 0.862 99.8 65.5 -70.1 -33.3 -34.1 108.2 65.8 82 87 A S H 3< S+ 0 0 79 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.692 101.0 48.5 -63.2 -20.2 -34.5 110.3 62.7 83 88 A V T << S+ 0 0 11 -3,-0.7 -1,-0.3 -4,-0.5 -2,-0.2 0.518 90.9 103.7 -98.5 -5.5 -36.9 107.8 61.2 84 89 A L S < S- 0 0 29 -3,-1.3 3,-0.1 -4,-0.4 16,-0.1 -0.456 76.1-109.9 -81.5 151.4 -39.1 107.3 64.2 85 90 A P S S- 0 0 96 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.167 70.1 -29.3 -88.3 150.8 -42.6 108.8 64.7 86 91 A A S S- 0 0 101 1,-0.1 0, 0.0 -2,-0.0 0, 0.0 -0.428 81.4 -52.0 -77.0 118.9 -42.8 111.4 67.1 87 92 A G S S+ 0 0 65 -2,-0.2 2,-1.7 -3,-0.1 -1,-0.1 -0.659 82.6 92.3 151.8 -45.7 -41.2 112.6 70.2 88 93 A P - 0 0 118 0, 0.0 3,-0.1 0, 0.0 0, 0.0 -0.592 68.1-147.1 -68.2 95.5 -40.7 110.5 73.2 89 94 A A - 0 0 76 -2,-1.7 7,-0.0 1,-0.1 -3,-0.0 -0.186 21.8 -96.9 -59.7 149.6 -37.2 109.2 72.4 90 95 A P - 0 0 22 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 -0.325 22.0-138.6 -66.5 151.1 -36.2 105.6 73.6 91 96 A E S S- 0 0 102 -3,-0.1 2,-0.2 -37,-0.1 -36,-0.1 0.829 77.9 -0.5 -81.1 -33.7 -34.3 105.3 76.8 92 97 A G S > S- 0 0 10 -38,-0.1 4,-1.6 1,-0.0 5,-0.1 -0.740 83.8 -85.5-141.2-170.3 -31.9 102.7 75.6 93 98 A D H > S+ 0 0 14 -38,-0.3 4,-2.3 -2,-0.2 5,-0.1 0.845 122.5 54.8 -72.7 -32.6 -30.9 100.6 72.6 94 99 A A H > S+ 0 0 0 -39,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.855 110.8 45.3 -68.8 -34.8 -33.4 97.8 73.5 95 100 A E H > S+ 0 0 45 -40,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.848 110.9 53.6 -76.0 -33.3 -36.2 100.4 73.5 96 101 A L H X S+ 0 0 5 -4,-1.6 4,-2.9 2,-0.2 -2,-0.2 0.925 108.2 50.3 -63.5 -45.8 -34.9 101.9 70.3 97 102 A V H X S+ 0 0 2 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.945 109.5 51.6 -57.1 -47.0 -35.0 98.5 68.7 98 103 A L H X S+ 0 0 3 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.879 110.1 48.7 -58.9 -39.6 -38.6 98.1 69.9 99 104 A R H X S+ 0 0 53 -4,-2.2 4,-0.8 1,-0.2 3,-0.3 0.952 111.8 49.3 -66.3 -45.6 -39.5 101.4 68.4 100 105 A L H >X S+ 0 0 1 -4,-2.9 4,-2.9 1,-0.2 3,-0.7 0.868 107.9 54.6 -60.1 -37.3 -37.9 100.4 65.1 101 106 A L H 3X S+ 0 0 21 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.859 101.3 58.5 -65.2 -36.4 -39.7 97.0 65.1 102 107 A E H 3< S+ 0 0 80 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.753 116.9 34.2 -65.7 -21.9 -43.1 98.8 65.4 103 108 A R H << S+ 0 0 66 -4,-0.8 745,-0.6 -3,-0.7 -2,-0.2 0.848 137.3 15.3 -99.9 -42.7 -42.3 100.6 62.2 104 109 A Y H >< S- 0 0 1 -4,-2.9 3,-1.6 1,-0.3 -3,-0.2 0.438 86.3-149.4-113.2 -2.2 -40.4 98.1 60.0 105 110 A D G >< S- 0 0 45 -4,-2.0 3,-2.6 -5,-0.4 -1,-0.3 -0.311 76.1 -15.2 58.2-150.2 -41.0 94.8 61.8 106 111 A L G > S+ 0 0 7 1,-0.3 3,-1.3 2,-0.2 -1,-0.3 0.678 129.8 75.3 -57.6 -15.3 -38.0 92.5 61.4 107 112 A H G X S+ 0 0 4 -3,-1.6 3,-1.4 1,-0.3 4,-0.4 0.548 71.7 87.0 -73.8 -3.0 -36.7 94.7 58.6 108 113 A A G X> S+ 0 0 2 -3,-2.6 3,-1.9 1,-0.3 4,-0.7 0.896 79.9 62.0 -60.6 -36.9 -35.7 97.1 61.4 109 114 A F G <4 S+ 0 0 7 -3,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.623 87.7 67.7 -67.2 -13.4 -32.4 95.1 61.5 110 115 A R G <4 S+ 0 0 7 -3,-1.4 589,-2.6 1,-0.2 -1,-0.3 0.676 103.4 50.0 -75.7 -16.6 -31.5 96.0 58.0 111 116 A L T <4 S+ 0 0 2 -3,-1.9 2,-0.4 -4,-0.4 -2,-0.2 0.726 87.7 100.1 -92.1 -25.8 -31.2 99.6 59.4 112 117 A V < - 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0 0 8 -5,-2.2 2,-0.4 -52,-0.2 -1,-0.3 -0.689 52.9-136.4 -95.6 145.4 -34.3 99.6 17.9 879 394 B W E -g 828 0I 0 -52,-2.7 -50,-3.7 -2,-0.3 2,-0.4 -0.831 19.9-166.9 -99.4 133.4 -32.0 99.7 20.9 880 395 B T E -g 829 0I 1 -2,-0.4 2,-0.3 -52,-0.2 -50,-0.2 -0.956 7.4-179.1-121.3 139.5 -33.5 100.0 24.4 881 396 B T E -g 830 0I 0 -52,-2.3 -50,-1.4 -2,-0.4 -276,-0.0 -0.969 17.6-143.1-134.2 151.0 -31.8 100.9 27.6 882 397 B H > - 0 0 9 -2,-0.3 3,-1.7 -52,-0.2 -50,-0.1 -0.794 8.2-169.5-123.9 92.1 -33.3 101.1 31.1 883 398 B P G > S+ 0 0 0 0, 0.0 3,-1.9 0, 0.0 6,-0.2 0.765 82.5 61.8 -46.2 -41.8 -32.0 103.9 33.5 884 399 B Y G 3 S+ 0 0 3 -53,-0.4 9,-0.2 -51,-0.3 -50,-0.1 0.793 105.0 48.7 -63.3 -25.5 -33.7 102.7 36.7 885 400 B W G < S+ 0 0 3 -3,-1.7 -1,-0.3 -52,-0.2 -262,-0.1 0.168 80.4 127.9 -99.0 20.0 -31.8 99.4 36.6 886 401 B D S <> S- 0 0 1 -3,-1.9 4,-3.4 1,-0.1 5,-0.3 -0.474 74.0-113.4 -66.3 146.1 -28.5 101.2 36.0 887 402 B R H > S+ 0 0 11 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.911 113.4 41.3 -54.8 -48.5 -26.1 99.8 38.6 888 403 B E H > S+ 0 0 72 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.929 119.0 45.5 -67.2 -42.5 -25.7 103.1 40.6 889 404 B V H > S+ 0 0 4 -6,-0.2 4,-3.0 -175,-0.2 5,-0.3 0.964 114.6 47.9 -64.8 -49.6 -29.4 104.0 40.4 890 405 B L H X S+ 0 0 0 -4,-3.4 4,-3.0 1,-0.2 5,-0.3 0.947 112.0 49.4 -55.3 -50.5 -30.5 100.5 41.3 891 406 B D H X S+ 0 0 48 -4,-2.5 4,-1.9 -5,-0.3 -1,-0.2 0.913 113.5 46.9 -56.0 -46.1 -28.1 100.3 44.3 892 407 B L H X S+ 0 0 18 -4,-2.2 4,-1.4 -5,-0.2 -1,-0.2 0.952 114.9 44.7 -61.6 -50.8 -29.2 103.6 45.6 893 408 B L H < S+ 0 0 3 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.884 113.5 49.3 -63.7 -41.3 -32.9 102.9 45.2 894 409 B V H < S+ 0 0 3 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.877 109.7 54.3 -64.8 -37.2 -32.7 99.4 46.7 895 410 B S H < S+ 0 0 25 -4,-1.9 -195,-3.6 -5,-0.3 -1,-0.2 0.780 81.7 104.3 -69.1 -31.9 -30.7 100.7 49.7 896 411 B L B < S-c 700 0H 0 -4,-1.4 -195,-0.2 -197,-0.2 5,-0.1 -0.269 80.3-107.3 -58.5 134.5 -33.2 103.5 50.8 897 412 B E > - 0 0 4 -197,-2.1 3,-2.0 1,-0.1 4,-0.4 -0.240 32.7-108.0 -58.9 150.2 -35.2 102.7 53.9 898 413 B A G >> S+ 0 0 0 1,-0.3 4,-2.0 2,-0.2 3,-1.2 0.738 113.1 68.5 -53.9 -30.8 -38.8 101.9 53.3 899 414 B G G 34 S+ 0 0 0 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.526 97.1 55.4 -70.2 -3.1 -40.1 105.2 54.8 900 415 B L G <4 S+ 0 0 0 -3,-2.0 10,-2.1 3,-0.1 -1,-0.3 0.613 109.4 45.9 -98.7 -18.6 -38.5 107.0 51.8 901 416 B K T <4 S+ 0 0 1 -3,-1.2 8,-1.9 -4,-0.4 7,-0.5 0.780 122.1 33.4 -93.4 -34.2 -40.4 104.9 49.3 902 417 B R E < S+H 907 0J 38 -4,-2.0 2,-0.3 6,-0.2 -1,-0.3 -0.921 87.1 145.9-123.1 98.9 -43.9 105.1 50.9 903 418 B R E > +H 906 0J 56 3,-1.3 3,-2.0 -2,-0.5 -3,-0.1 -0.995 57.4 5.7-141.6 143.1 -44.0 108.5 52.5 904 419 B H T 3 S- 0 0 125 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.827 126.6 -61.6 56.7 35.3 -46.8 111.1 53.1 905 420 B G T 3 S+ 0 0 42 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.517 112.4 116.0 72.1 5.1 -49.4 108.7 51.8 906 421 B R E X -H 903 0J 85 -3,-2.0 -3,-1.3 -60,-0.1 3,-0.6 -0.801 63.8-122.5-109.8 151.1 -47.8 108.5 48.4 907 422 B D E 3 S+H 902 0J 14 -2,-0.3 5,-0.2 1,-0.2 -5,-0.2 -0.558 93.2 7.1 -85.8 153.1 -46.2 105.6 46.6 908 423 B K T >> S+ 0 0 4 -69,-0.5 4,-1.6 -7,-0.5 3,-0.9 0.854 82.3 173.7 43.2 44.5 -42.5 105.8 45.4 909 424 B W H <> + 0 0 32 -8,-1.9 4,-2.7 -3,-0.6 5,-0.3 0.889 65.0 55.7 -48.5 -56.1 -42.3 109.1 47.3 910 425 B V H 3> S+ 0 0 0 -10,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.810 109.1 48.4 -52.7 -32.8 -38.6 109.9 46.9 911 426 B L H <> S+ 0 0 0 -3,-0.9 4,-1.4 2,-0.2 -1,-0.2 0.916 111.4 48.6 -73.3 -44.4 -38.8 109.6 43.1 912 427 B R H >X S+ 0 0 11 -4,-1.6 4,-1.0 1,-0.2 3,-0.6 0.943 113.8 46.6 -59.6 -47.8 -41.8 111.9 42.8 913 428 B A H 3< S+ 0 0 30 -4,-2.7 4,-0.3 1,-0.2 -1,-0.2 0.819 108.7 57.6 -63.9 -31.8 -40.2 114.5 45.0 914 429 B A H 3< S+ 0 0 4 -4,-1.3 -1,-0.2 -5,-0.3 -2,-0.2 0.790 115.5 34.3 -70.6 -28.3 -37.0 114.2 43.0 915 430 B M H XX S+ 0 0 0 -4,-1.4 3,-2.5 -3,-0.6 4,-0.9 0.464 86.5 106.3-105.1 -3.1 -38.8 115.1 39.8 916 431 B A T 3< S+ 0 0 49 -4,-1.0 3,-0.4 1,-0.3 -1,-0.1 0.792 81.5 47.1 -45.2 -39.5 -41.3 117.5 41.2 917 432 B D T 34 S+ 0 0 135 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.424 113.5 48.1 -88.0 2.4 -39.4 120.6 39.8 918 433 B A T <4 S+ 0 0 16 -3,-2.5 -1,-0.2 2,-0.1 -2,-0.2 0.432 110.6 47.4-118.3 -3.9 -39.0 119.2 36.3 919 434 B L S < S- 0 0 6 -4,-0.9 -147,-0.1 -3,-0.4 -1,-0.0 -0.916 91.6 -84.5-136.5 161.6 -42.6 117.9 35.7 920 435 B P >> - 0 0 23 0, 0.0 4,-1.8 0, 0.0 3,-0.8 -0.293 39.4-117.6 -65.3 151.5 -46.2 119.2 36.0 921 436 B A H 3> S+ 0 0 64 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.883 112.9 59.1 -55.6 -42.9 -47.9 118.8 39.4 922 437 B E H 3> S+ 0 0 85 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.846 107.2 49.0 -58.3 -32.9 -50.5 116.5 38.0 923 438 B T H <4 S+ 0 0 1 -3,-0.8 3,-0.4 2,-0.2 -2,-0.2 0.956 112.7 43.4 -71.4 -52.7 -47.8 114.1 36.9 924 439 B V H < S+ 0 0 14 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.793 119.8 45.5 -64.7 -26.6 -45.8 114.0 40.2 925 440 B N H < S+ 0 0 72 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.648 82.7 104.9 -92.4 -16.3 -49.1 113.7 42.2 926 441 B R S < S- 0 0 63 -4,-1.1 -189,-0.3 -3,-0.4 -4,-0.0 -0.540 70.7-132.4 -70.3 114.3 -51.0 111.1 40.1 927 442 B P - 0 0 62 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.116 18.1-115.0 -60.1 163.2 -50.8 107.8 42.1 928 443 B K S S+ 0 0 94 -87,-0.1 -2,-0.1 2,-0.1 -192,-0.0 0.633 95.3 91.0 -75.2 -10.4 -49.8 104.6 40.4 929 444 B L 0 0 122 1,-0.2 -87,-0.0 -85,-0.0 -85,-0.0 0.300 360.0 360.0 -64.7-162.9 -53.4 103.5 41.2 930 445 B G 0 0 123 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.297 360.0 360.0 66.6 360.0 -56.4 104.0 39.0 931 ! 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 0.0 932 452 B T 0 0 193 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 136.9 -60.1 96.5 35.0 933 453 B T - 0 0 56 1,-0.1 2,-0.1 2,-0.0 3,-0.0 -0.589 360.0-109.4 -93.1 154.4 -58.7 93.3 33.5 934 454 B S > - 0 0 33 -2,-0.2 4,-3.2 1,-0.1 3,-0.4 -0.481 29.1-111.0 -81.1 154.6 -55.7 93.0 31.2 935 455 B S H > S+ 0 0 29 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.900 117.4 52.0 -48.6 -52.3 -56.2 92.1 27.5 936 456 B F H > S+ 0 0 2 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.876 114.6 42.9 -55.7 -41.0 -54.5 88.7 27.8 937 457 B S H > S+ 0 0 19 -3,-0.4 4,-1.9 2,-0.2 3,-0.3 0.943 112.3 53.2 -70.3 -47.7 -56.9 87.9 30.7 938 458 B R H X S+ 0 0 111 -4,-3.2 4,-3.0 1,-0.3 -2,-0.2 0.898 105.1 56.9 -56.0 -40.8 -59.9 89.4 28.9 939 459 B L H X S+ 0 0 35 -4,-3.4 4,-0.5 1,-0.2 -1,-0.3 0.913 111.7 40.1 -48.5 -53.9 -59.1 87.2 25.9 940 460 B L H <>S+ 0 0 0 -4,-1.3 5,-2.2 -3,-0.3 -1,-0.2 0.683 114.3 53.4 -73.0 -34.7 -59.3 84.0 28.0 941 461 B L H ><5S+ 0 0 27 -4,-1.9 3,-1.7 3,-0.2 -1,-0.2 0.870 105.8 54.1 -64.1 -40.3 -62.3 85.3 29.8 942 462 B D H 3<5S+ 0 0 118 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.631 102.3 59.2 -68.5 -13.7 -63.9 85.9 26.4 943 463 B H T 3<5S- 0 0 85 -4,-0.5 -1,-0.3 -5,-0.2 -2,-0.2 0.405 123.9-103.9 -94.4 0.4 -63.3 82.3 25.6 944 464 B G T < 5 + 0 0 69 -3,-1.7 2,-0.3 1,-0.3 -3,-0.2 0.609 67.0 154.1 89.2 13.4 -65.3 81.2 28.5 945 465 B V < - 0 0 9 -5,-2.2 -1,-0.3 1,-0.1 5,-0.1 -0.606 51.0-109.6 -77.7 131.2 -62.4 80.2 30.8 946 466 B A > - 0 0 56 -2,-0.3 3,-1.8 1,-0.1 4,-0.4 -0.277 26.1-119.5 -57.4 143.9 -63.4 80.5 34.5 947 467 B E G >> S+ 0 0 146 1,-0.3 3,-1.3 2,-0.2 4,-0.5 0.862 112.0 56.0 -55.6 -40.2 -61.6 83.4 36.2 948 468 B D G 34 S+ 0 0 141 1,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.201 111.6 45.7 -79.9 19.1 -59.7 81.2 38.7 949 469 B R G <> S+ 0 0 121 -3,-1.8 4,-1.4 -4,-0.1 -1,-0.2 0.256 87.0 91.5-137.0 1.2 -58.3 79.2 35.8 950 470 B V H <> S+ 0 0 8 -3,-1.3 4,-2.3 -4,-0.4 3,-0.3 0.971 84.3 49.7 -64.5 -57.0 -57.3 82.2 33.7 951 471 B H H X S+ 0 0 73 -4,-0.5 4,-1.2 1,-0.3 3,-0.4 0.933 113.1 46.3 -48.7 -55.1 -53.7 82.5 34.9 952 472 B E H > S+ 0 0 93 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.834 111.1 54.1 -59.3 -31.8 -53.0 78.8 34.5 953 473 B A H X S+ 0 0 1 -4,-1.4 4,-1.7 -3,-0.3 -1,-0.2 0.858 105.2 52.4 -70.2 -34.9 -54.5 79.0 31.0 954 474 B K H X S+ 0 0 11 -4,-2.3 4,-2.2 -3,-0.4 -1,-0.2 0.747 106.2 57.0 -70.6 -22.6 -52.2 81.9 30.1 955 475 B R H X S+ 0 0 108 -4,-1.2 4,-2.1 -5,-0.3 -2,-0.2 0.899 105.9 47.1 -73.6 -43.4 -49.4 79.6 31.3 956 476 B Q H X S+ 0 0 44 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.839 113.3 51.2 -66.2 -34.2 -50.3 76.8 28.8 957 477 B V H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.966 111.7 43.9 -67.0 -54.6 -50.6 79.5 26.1 958 478 B V H X S+ 0 0 0 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.863 113.5 54.3 -58.9 -37.4 -47.2 81.0 26.7 959 479 B R H X S+ 0 0 105 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.924 108.7 45.2 -64.0 -48.3 -45.7 77.5 27.0 960 480 B E H X S+ 0 0 63 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.857 111.0 54.1 -66.4 -34.7 -46.9 76.2 23.7 961 481 B L H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 5,-0.4 0.827 109.1 49.8 -67.3 -32.1 -45.8 79.4 21.9 962 482 B F H <>S+ 0 0 1 -4,-1.4 5,-2.5 2,-0.2 6,-0.4 0.948 110.5 48.6 -69.7 -50.0 -42.4 78.9 23.4 963 483 B D H <5S+ 0 0 67 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.889 115.0 46.4 -56.6 -42.2 -42.2 75.3 22.2 964 484 B L H <5S+ 0 0 38 -4,-2.4 6,-1.9 -5,-0.2 -2,-0.2 0.947 128.9 19.2 -67.4 -49.7 -43.4 76.4 18.7 965 485 B T T >X5S+ 0 0 3 -4,-2.4 4,-2.3 3,-0.2 3,-0.7 0.964 132.5 28.2 -87.6 -71.8 -41.0 79.3 18.3 966 486 B V T 345S+ 0 0 5 -5,-0.4 -3,-0.2 -4,-0.3 -319,-0.1 0.920 137.2 26.7 -60.1 -47.8 -38.0 79.3 20.6 967 487 B G T 34 - 0 0 73 -2,-0.4 3,-1.9 1,-0.1 -175,-0.1 -0.520 27.5-114.4 -75.9 145.2 -41.2 82.4 13.3 972 492 B P G > S+ 0 0 3 0, 0.0 3,-1.4 0, 0.0 5,-0.2 0.781 113.1 65.9 -49.8 -30.9 -44.0 84.2 15.2 973 493 B S G 3 S+ 0 0 83 1,-0.3 -177,-0.0 -178,-0.1 -3,-0.0 0.779 99.0 50.0 -65.5 -28.6 -45.6 85.2 12.0 974 494 B E G < S+ 0 0 130 -3,-1.9 2,-0.5 2,-0.1 -1,-0.3 0.068 89.7 104.8 -99.9 26.7 -46.4 81.5 11.0 975 495 B V < - 0 0 17 -3,-1.4 2,-1.5 -5,-0.1 3,-0.2 -0.930 66.8-140.2-112.0 123.3 -48.0 80.7 14.3 976 496 B D > + 0 0 88 -2,-0.5 4,-2.0 1,-0.2 3,-0.2 -0.633 24.0 176.6 -82.7 88.4 -51.7 80.4 14.7 977 497 B T H > S+ 0 0 18 -2,-1.5 4,-2.7 1,-0.2 5,-0.3 0.834 76.7 59.3 -60.8 -36.5 -52.3 82.1 18.0 978 498 B D H > S+ 0 0 109 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.910 107.2 46.0 -60.4 -44.5 -56.1 81.8 17.7 979 499 B D H > S+ 0 0 69 -3,-0.2 4,-3.3 2,-0.2 5,-0.2 0.947 111.7 51.3 -64.6 -47.4 -55.7 78.0 17.5 980 500 B V H X S+ 0 0 4 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.926 115.1 41.9 -54.7 -49.6 -53.3 77.8 20.4 981 501 B V H X S+ 0 0 5 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.857 113.9 52.9 -67.0 -35.8 -55.6 79.9 22.6 982 502 B R H X S+ 0 0 134 -4,-2.4 4,-2.1 -5,-0.3 -2,-0.2 0.912 111.1 47.5 -65.5 -41.7 -58.6 77.9 21.4 983 503 B S H X S+ 0 0 43 -4,-3.3 4,-2.5 2,-0.2 -2,-0.2 0.929 112.2 47.3 -65.0 -49.2 -56.9 74.7 22.3 984 504 B V H X S+ 0 0 4 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.922 111.6 52.0 -59.8 -43.8 -55.8 75.8 25.7 985 505 B A H < S+ 0 0 14 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.907 109.4 49.7 -59.4 -43.4 -59.3 77.1 26.4 986 506 B D H < S+ 0 0 129 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.949 113.0 46.6 -61.2 -48.5 -60.9 73.7 25.3 987 507 B R H < 0 0 193 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.888 360.0 360.0 -61.2 -44.5 -58.5 71.8 27.6 988 508 B T < 0 0 47 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.926 360.0 360.0 -64.0 360.0 -59.0 74.0 30.7