==== 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 04-AUG-02 1MC1 . 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 . 989 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36725.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 650 65.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 131 13.2 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 . 8 0.8 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 . 117 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 280 28.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.3 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 8 4 3 2 2 3 1 3 3 1 2 0 4 0 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 5 0 0 0 1 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 1 4 6 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 5 A V 0 0 81 0, 0.0 224,-0.1 0, 0.0 45,-0.1 0.000 360.0 360.0 360.0 -40.9 -19.2 103.6 80.0 2 6 A L - 0 0 10 1,-0.1 327,-0.1 43,-0.1 4,-0.0 -0.851 360.0 -96.0-115.4 151.0 -20.1 99.9 79.6 3 7 A P - 0 0 5 0, 0.0 40,-0.4 0, 0.0 65,-0.1 -0.156 37.0-109.4 -59.8 158.6 -23.1 98.4 78.0 4 8 A A S S+ 0 0 9 63,-0.4 2,-0.3 1,-0.2 47,-0.2 0.746 99.8 8.7 -61.8 -27.5 -26.1 97.5 80.1 5 9 A A - 0 0 0 62,-0.3 62,-2.6 37,-0.1 37,-0.3 -0.982 51.4-156.5-155.7 147.4 -25.3 93.7 79.7 6 10 A F S S- 0 0 5 35,-2.6 2,-0.3 -2,-0.3 36,-0.2 0.752 76.9 -34.5 -91.7 -33.0 -22.6 91.6 78.2 7 11 A G E -A 41 0A 0 34,-1.6 34,-1.8 58,-0.1 2,-0.3 -0.912 57.1-151.4-166.9-165.9 -24.7 88.5 77.5 8 12 A F E -A 40 0A 0 -2,-0.3 138,-2.1 32,-0.2 2,-0.4 -0.990 17.7-132.4-174.7 167.8 -27.6 86.4 78.7 9 13 A L E +AB 39 145A 32 30,-1.8 30,-2.8 -2,-0.3 2,-0.3 -0.987 37.2 172.3-134.2 119.9 -29.3 83.0 79.0 10 14 A A E -AB 38 144A 3 134,-3.3 134,-2.3 -2,-0.4 2,-0.3 -0.908 16.3-169.8-131.6 159.8 -33.0 83.1 78.1 11 15 A S E -AB 37 143A 39 26,-2.2 26,-1.9 -2,-0.3 2,-0.5 -0.995 8.3-155.5-148.2 142.9 -35.9 80.7 77.6 12 16 A A E AB 36 142A 2 130,-2.6 130,-2.0 -2,-0.3 24,-0.1 -0.988 360.0 360.0-123.2 125.9 -39.4 81.0 76.3 13 17 A R 0 0 174 22,-0.8 22,-0.2 -2,-0.5 128,-0.1 -0.362 360.0 360.0-163.2 360.0 -42.1 78.6 77.3 14 ! 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 15 25 A G 0 0 115 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 74.8 -28.0 78.0 87.2 16 26 A P - 0 0 31 0, 0.0 2,-0.4 0, 0.0 134,-0.1 -0.329 360.0-166.1 -61.2 136.2 -26.3 79.8 84.2 17 27 A V - 0 0 106 -2,-0.1 2,-0.3 132,-0.0 3,-0.0 -0.972 10.9-179.9-130.6 117.0 -22.5 79.6 84.1 18 28 A F - 0 0 17 -2,-0.4 283,-0.1 2,-0.3 -11,-0.0 -0.735 39.9-136.3-116.7 163.1 -20.6 81.9 81.7 19 29 A A S S+ 0 0 6 -2,-0.3 -1,-0.1 281,-0.1 2,-0.1 0.725 87.0 95.8 -81.0 -28.0 -17.0 82.6 80.8 20 30 A T S S- 0 0 9 281,-0.1 2,-0.4 357,-0.1 356,-0.3 -0.401 75.6-136.8 -64.5 137.1 -18.0 86.3 81.0 21 31 A R + 0 0 111 354,-2.8 2,-0.3 351,-0.1 357,-0.1 -0.802 53.9 74.0 -99.0 139.5 -17.2 87.8 84.3 22 32 A G S S- 0 0 25 -2,-0.4 21,-0.2 21,-0.1 2,-0.1 -0.937 77.8 -39.5 153.1-174.2 -19.8 90.1 86.0 23 33 A S E -C 42 0A 41 19,-2.9 19,-2.3 -2,-0.3 2,-0.4 -0.369 45.8-139.5 -78.8 160.4 -23.0 90.3 88.0 24 34 A H E -C 41 0A 88 17,-0.2 2,-0.4 -2,-0.1 17,-0.2 -0.977 19.5-179.4-121.3 136.5 -26.1 88.1 87.2 25 35 A T E -C 40 0A 54 15,-2.0 15,-3.3 -2,-0.4 2,-0.5 -0.982 17.5-147.4-139.4 124.7 -29.6 89.5 87.3 26 36 A D E -C 39 0A 104 -2,-0.4 13,-0.2 13,-0.2 2,-0.1 -0.786 24.7-127.7 -89.7 131.4 -32.7 87.5 86.6 27 37 A I - 0 0 22 11,-2.0 11,-0.4 -2,-0.5 -1,-0.0 -0.450 29.6 -97.0 -78.3 154.0 -35.4 89.6 84.9 28 38 A D - 0 0 127 -2,-0.1 8,-0.1 9,-0.1 -1,-0.1 -0.324 25.6-140.2 -66.1 150.7 -38.9 89.7 86.4 29 39 A T > + 0 0 63 1,-0.2 3,-1.2 6,-0.1 6,-0.1 -0.623 26.2 173.3-116.2 73.3 -41.5 87.4 84.9 30 40 A P T 3 S+ 0 0 76 0, 0.0 2,-2.7 0, 0.0 -1,-0.2 0.924 85.9 36.5 -40.6 -78.3 -44.7 89.5 84.8 31 41 A Q T >> S- 0 0 67 1,-0.2 2,-8.4 2,-0.1 4,-1.4 -0.335 99.0-158.0 -77.7 59.4 -46.9 87.1 82.8 32 42 A G T <4 S+ 0 0 53 -2,-2.7 -1,-0.2 -3,-1.2 -3,-0.1 0.292 74.0 31.6 -4.8 -19.8 -44.9 84.5 84.8 33 43 A E T 34 S+ 0 0 127 -2,-8.4 -20,-0.4 3,-0.0 -1,-0.3 0.591 119.4 36.0-124.7 -65.8 -45.6 81.9 82.5 34 44 A R T <4 S+ 0 0 164 -3,-0.6 -2,-0.2 -22,-0.1 -3,-0.1 0.443 104.1 110.7 -90.4 28.6 -46.0 82.7 78.8 35 45 A S S < S- 0 0 6 -4,-1.4 -22,-0.8 -22,-0.2 2,-0.7 -0.001 80.2 -98.3-103.0 175.8 -43.3 85.2 79.6 36 46 A L E -A 12 0A 2 -24,-0.1 2,-0.3 -8,-0.1 -24,-0.2 -0.855 35.2-161.8 -99.7 111.7 -39.6 85.5 78.7 37 47 A A E +A 11 0A 37 -26,-1.9 -26,-2.2 -2,-0.7 2,-0.3 -0.679 20.4 163.4 -89.1 145.5 -37.3 84.3 81.5 38 48 A A E -A 10 0A 8 -11,-0.4 -11,-2.0 -2,-0.3 2,-0.5 -0.983 35.1-147.1-163.8 149.9 -33.7 85.4 81.3 39 49 A T E -AC 9 26A 15 -30,-2.8 -30,-1.8 -2,-0.3 2,-0.4 -0.983 23.7-154.7-119.3 119.7 -30.5 85.8 83.3 40 50 A L E -AC 8 25A 0 -15,-3.3 -15,-2.0 -2,-0.5 2,-0.5 -0.781 3.5-154.8 -97.4 138.1 -28.4 88.7 82.3 41 51 A V E +AC 7 24A 0 -34,-1.8 -35,-2.6 -2,-0.4 -34,-1.6 -0.956 34.9 143.4-110.3 125.4 -24.6 88.8 82.9 42 52 A H E - C 0 23A 7 -19,-2.3 -19,-2.9 -2,-0.5 -37,-0.1 -0.916 52.0 -65.7-151.3 175.4 -23.3 92.4 83.2 43 53 A A > - 0 0 1 -40,-0.4 3,-1.7 -2,-0.3 -21,-0.1 -0.396 38.8-128.7 -69.1 142.8 -20.8 94.7 84.9 44 54 A P T 3 S+ 0 0 80 0, 0.0 -1,-0.1 0, 0.0 -22,-0.0 0.781 109.8 56.8 -61.8 -24.0 -21.2 95.1 88.7 45 55 A S T 3 S+ 0 0 77 2,-0.1 2,-0.3 -22,-0.0 -43,-0.1 0.416 98.4 73.8 -88.0 -0.9 -21.1 98.9 88.0 46 56 A V S < S- 0 0 22 -3,-1.7 -4,-0.1 -42,-0.1 -42,-0.1 -0.832 76.9-123.7-117.7 156.1 -23.9 99.0 85.5 47 57 A A > - 0 0 43 -2,-0.3 3,-0.7 1,-0.1 4,-0.2 -0.852 12.7-147.6 -96.6 125.7 -27.7 98.7 85.8 48 58 A P G > S+ 0 0 23 0, 0.0 3,-3.0 0, 0.0 4,-0.4 0.723 78.8 93.5 -61.8 -24.6 -29.3 95.9 83.7 49 59 A D G > S+ 0 0 108 1,-0.3 3,-2.0 2,-0.2 38,-0.1 0.788 78.9 53.6 -35.2 -55.4 -32.4 98.0 83.2 50 60 A R G < S+ 0 0 98 -3,-0.7 39,-1.4 1,-0.3 40,-0.3 0.620 103.1 59.8 -62.1 -15.4 -31.4 99.5 79.9 51 61 A A G < S+ 0 0 2 -3,-3.0 14,-2.5 -47,-0.2 2,-0.4 0.516 103.6 60.1 -91.1 -6.4 -30.7 96.0 78.5 52 62 A V E < +G 64 0B 21 -3,-2.0 2,-0.3 -4,-0.4 12,-0.2 -0.973 59.9 173.2-125.7 137.0 -34.4 95.0 79.1 53 63 A A E -G 63 0B 8 10,-1.9 10,-3.7 -2,-0.4 2,-0.3 -0.997 8.9-164.8-142.0 143.2 -37.5 96.5 77.7 54 64 A R E +G 62 0B 91 -2,-0.3 2,-0.3 8,-0.2 8,-0.2 -0.836 12.8 164.0-124.6 162.7 -41.2 95.5 77.9 55 65 A S E -G 61 0B 23 6,-2.1 6,-2.6 -2,-0.3 -2,-0.0 -0.980 38.0-142.6-167.2 169.3 -44.2 96.5 75.9 56 66 A L + 0 0 137 -2,-0.3 2,-0.5 4,-0.2 -1,-0.1 0.285 57.6 129.2-121.9 2.3 -47.8 95.6 75.1 57 67 A T S S- 0 0 74 1,-0.3 -2,-0.0 4,-0.1 0, 0.0 -0.490 92.6 -10.2 -66.7 113.8 -47.6 96.6 71.4 58 68 A G S S- 0 0 83 -2,-0.5 -1,-0.3 3,-0.0 59,-0.0 -0.144 140.9 -27.2 95.1 -45.9 -48.9 93.7 69.4 59 69 A A S S- 0 0 24 59,-0.1 -4,-0.1 2,-0.0 0, 0.0 -0.949 99.7 -43.7-175.1 176.8 -48.9 91.5 72.5 60 70 A P S S- 0 0 59 0, 0.0 58,-2.1 0, 0.0 2,-0.4 -0.485 70.5-173.1 -70.3 124.1 -47.1 91.2 75.8 61 71 A T E -GH 55 117B 12 -6,-2.6 -6,-2.1 56,-0.2 2,-0.4 -0.996 21.1-175.5-127.3 137.1 -43.5 91.7 74.7 62 72 A T E -GH 54 116B 3 54,-2.4 54,-2.3 -2,-0.4 2,-0.4 -0.992 8.0-166.4-130.5 126.2 -40.1 91.4 76.4 63 73 A A E -GH 53 115B 0 -10,-3.7 -10,-1.9 -2,-0.4 2,-0.4 -0.910 5.0-173.7-114.4 140.3 -36.8 92.4 74.9 64 74 A V E -GH 52 114B 0 50,-2.1 50,-2.1 -2,-0.4 2,-0.4 -0.999 9.0-175.2-129.9 127.5 -33.3 91.5 76.2 65 75 A L E - H 0 113B 3 -14,-2.5 2,-0.5 -2,-0.4 48,-0.2 -0.981 12.9-160.4-132.4 128.5 -30.2 93.0 74.5 66 76 A A E + H 0 112B 0 46,-3.2 46,-1.9 -2,-0.4 2,-0.3 -0.867 65.5 6.8-101.6 132.8 -26.5 92.3 75.1 67 77 A G E S- H 0 111B 6 -62,-2.6 -63,-0.4 -2,-0.5 -62,-0.3 -0.721 87.1 -75.6 103.5-152.2 -24.1 94.9 73.8 68 78 A E E - H 0 110B 10 42,-2.8 42,-3.2 -2,-0.3 2,-0.4 -0.963 21.9-122.9-153.1 164.8 -24.8 98.3 72.3 69 79 A I E - H 0 109B 1 -2,-0.3 40,-0.3 40,-0.2 3,-0.3 -0.918 12.7-169.3-114.2 138.0 -25.9 100.2 69.2 70 80 A Y S S+ 0 0 13 38,-2.5 2,-1.1 -2,-0.4 3,-0.4 0.808 78.6 60.0 -97.4 -35.2 -23.8 102.9 67.4 71 81 A N > + 0 0 6 37,-1.4 4,-2.1 1,-0.2 5,-0.2 -0.296 63.9 137.7 -92.3 55.5 -26.1 104.6 64.9 72 82 A R H > + 0 0 109 -2,-1.1 4,-2.7 -3,-0.3 5,-0.2 0.928 65.6 53.8 -63.8 -50.2 -28.6 105.7 67.6 73 83 A D H > S+ 0 0 131 -3,-0.4 4,-1.3 1,-0.2 -1,-0.2 0.910 111.3 48.7 -53.5 -43.4 -29.2 109.2 66.3 74 84 A E H >> S+ 0 0 37 2,-0.2 3,-0.8 1,-0.2 4,-0.7 0.967 111.2 46.3 -61.0 -56.5 -30.1 107.7 62.9 75 85 A L H >< S+ 0 0 0 -4,-2.1 3,-0.9 1,-0.3 4,-0.3 0.873 111.1 54.6 -55.7 -38.0 -32.5 105.1 64.3 76 86 A L H >< S+ 0 0 63 -4,-2.7 3,-1.0 1,-0.2 -1,-0.3 0.806 99.3 62.6 -66.4 -29.6 -34.1 107.7 66.5 77 87 A S H << S+ 0 0 74 -4,-1.3 -1,-0.2 -3,-0.8 -2,-0.2 0.699 100.4 52.2 -71.0 -19.9 -34.8 109.9 63.4 78 88 A V T << S+ 0 0 9 -3,-0.9 -1,-0.2 -4,-0.7 -2,-0.2 0.440 89.3 101.1 -96.8 0.8 -37.1 107.4 61.8 79 89 A L < - 0 0 27 -3,-1.0 16,-0.1 -4,-0.3 5,-0.0 -0.607 66.8-137.4 -88.2 148.0 -39.3 107.0 64.9 80 90 A P S S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 18,-0.0 0.989 75.4 47.3 -62.0 -89.3 -42.7 108.7 65.2 81 91 A A S S- 0 0 78 1,-0.1 -2,-0.1 2,-0.1 0, 0.0 0.101 76.6-125.9 -53.4 169.9 -43.3 110.2 68.6 82 92 A G S S+ 0 0 67 2,-0.1 2,-0.6 1,-0.0 -1,-0.1 0.874 77.5 99.2 -91.1 -43.7 -40.7 112.3 70.4 83 93 A P S S- 0 0 118 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.272 73.9-138.7 -51.9 99.6 -40.2 110.7 73.9 84 94 A A - 0 0 65 -2,-0.6 -2,-0.1 1,-0.1 7,-0.0 -0.213 18.9 -99.6 -62.3 146.9 -37.0 108.8 73.1 85 95 A P - 0 0 23 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 -0.287 27.1-128.6 -64.3 155.4 -36.5 105.2 74.3 86 96 A E S S+ 0 0 136 -3,-0.1 2,-0.3 1,-0.0 -36,-0.1 0.719 78.8 2.3 -81.1 -20.6 -34.4 104.9 77.5 87 97 A G S > S- 0 0 12 -38,-0.1 4,-2.2 1,-0.0 5,-0.1 -0.898 82.3 -85.9-152.9-178.0 -32.0 102.3 76.2 88 98 A D H > S+ 0 0 12 -2,-0.3 4,-2.2 1,-0.2 -37,-0.1 0.791 122.6 53.6 -66.5 -29.2 -30.9 100.1 73.3 89 99 A A H > S+ 0 0 0 -39,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.882 112.6 42.7 -72.8 -39.2 -33.5 97.4 74.2 90 100 A E H > S+ 0 0 47 -40,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.836 111.8 56.1 -74.5 -31.5 -36.3 99.9 74.2 91 101 A L H X S+ 0 0 4 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.937 108.3 47.2 -63.6 -45.7 -34.9 101.4 71.0 92 102 A V H X S+ 0 0 2 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.960 110.7 52.8 -60.2 -48.1 -35.0 98.0 69.3 93 103 A L H X S+ 0 0 2 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.915 108.7 48.9 -52.6 -48.6 -38.6 97.5 70.6 94 104 A R H X S+ 0 0 62 -4,-2.7 4,-0.7 1,-0.2 -1,-0.2 0.903 112.6 49.0 -58.6 -42.1 -39.6 100.9 69.1 95 105 A L H X S+ 0 0 1 -4,-2.3 4,-2.9 1,-0.2 3,-0.5 0.863 107.9 54.0 -66.3 -35.9 -38.0 99.9 65.8 96 106 A L H X S+ 0 0 20 -4,-2.6 4,-1.1 1,-0.2 -1,-0.2 0.811 102.4 57.5 -67.8 -33.6 -39.7 96.5 65.8 97 107 A E H < S+ 0 0 76 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.761 116.9 35.9 -70.4 -20.4 -43.1 98.1 66.2 98 108 A R H < S+ 0 0 73 -4,-0.7 757,-0.4 -3,-0.5 -2,-0.2 0.895 135.1 15.1 -98.6 -46.3 -42.4 100.0 63.0 99 109 A Y H >< S- 0 0 1 -4,-2.9 3,-1.4 1,-0.3 -3,-0.2 0.372 88.5-146.8-103.8 -6.7 -40.5 97.8 60.6 100 110 A D G >< S- 0 0 45 -4,-1.1 3,-3.5 -5,-0.4 -1,-0.3 -0.299 74.1 -15.9 54.2-166.2 -41.0 94.4 62.3 101 111 A L G > S+ 0 0 7 1,-0.3 3,-1.5 2,-0.2 -1,-0.3 0.671 129.7 75.6 -42.6 -18.5 -38.0 92.1 61.9 102 112 A H G X S+ 0 0 3 -3,-1.4 3,-2.4 1,-0.3 4,-0.4 0.706 71.3 86.9 -71.3 -13.2 -36.8 94.3 59.2 103 113 A A G X S+ 0 0 1 -3,-3.5 3,-1.4 1,-0.3 4,-0.4 0.823 80.1 61.9 -53.0 -33.2 -35.8 96.7 62.0 104 114 A F G < S+ 0 0 9 -3,-1.5 -1,-0.3 1,-0.3 3,-0.3 0.636 87.8 69.0 -71.9 -13.5 -32.5 94.8 62.1 105 115 A R G < S+ 0 0 8 -3,-2.4 601,-3.4 1,-0.2 -1,-0.3 0.653 101.6 49.6 -76.2 -13.9 -31.6 95.8 58.6 106 116 A L S < S+ 0 0 2 -3,-1.4 2,-0.3 -4,-0.4 602,-0.3 0.594 88.1 105.4 -98.6 -14.9 -31.2 99.3 59.9 107 117 A V - 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0 0 5 -4,-1.1 3,-1.3 -3,-0.8 -3,-0.2 0.990 35.7-176.4 56.0 61.8 -6.3 92.1 52.3 342 356 A G T 3 > S+ 0 0 6 -2,-0.8 4,-1.6 251,-0.4 3,-1.2 0.807 71.1 79.1 -63.3 -36.0 -4.4 93.0 42.3 350 364 A P H 3> S+ 0 0 15 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.868 94.6 47.0 -40.8 -55.4 -6.3 89.8 41.2 351 365 A A H 3> S+ 0 0 49 -3,-0.4 4,-2.2 1,-0.2 5,-0.2 0.776 106.6 60.0 -61.5 -29.7 -5.2 87.7 44.1 352 366 A L H <> S+ 0 0 2 -3,-1.2 4,-2.4 -4,-0.5 -1,-0.2 0.956 108.3 42.5 -64.9 -49.6 -6.0 90.4 46.6 353 367 A D H X S+ 0 0 1 -4,-1.6 4,-3.0 2,-0.2 5,-0.3 0.838 111.7 56.2 -65.1 -34.3 -9.7 90.5 45.6 354 368 A T H X S+ 0 0 70 -4,-1.8 4,-2.1 -5,-0.3 -2,-0.2 0.971 113.1 39.8 -62.2 -52.1 -9.8 86.7 45.5 355 369 A V H X S+ 0 0 67 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.887 115.7 53.2 -63.6 -40.3 -8.6 86.4 49.1 356 370 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.947 110.4 45.4 -59.2 -54.0 -10.8 89.4 50.2 357 371 A A H X S+ 0 0 23 -4,-3.0 4,-1.1 1,-0.2 -1,-0.2 0.875 114.9 49.1 -58.7 -40.1 -14.0 87.9 48.8 358 372 A H H X S+ 0 0 115 -4,-2.1 4,-0.7 -5,-0.3 3,-0.3 0.930 112.0 47.5 -67.5 -45.5 -13.2 84.5 50.3 359 373 A D H >X S+ 0 0 54 -4,-2.9 3,-1.2 1,-0.2 4,-0.7 0.939 111.0 51.4 -60.3 -46.4 -12.4 86.0 53.7 360 374 A M H 3< S+ 0 0 5 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.739 111.5 48.7 -63.6 -23.6 -15.6 88.1 53.7 361 375 A A H 3< S+ 0 0 82 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.529 117.1 39.9 -93.6 -6.5 -17.6 85.0 52.8 362 376 A T H << S+ 0 0 68 -3,-1.2 -2,-0.2 -4,-0.7 -1,-0.1 0.281 81.1 94.9-128.7 15.2 -16.1 82.8 55.6 363 377 A F >< + 0 0 25 -4,-0.7 3,-2.1 -3,-0.1 4,-0.3 0.810 59.1 102.0 -75.8 -31.9 -15.7 84.9 58.7 364 378 A D T 3 S+ 0 0 56 1,-0.3 -235,-0.1 -4,-0.2 -236,-0.0 -0.312 83.3 25.9 -58.5 128.4 -19.0 83.8 60.3 365 379 A G T 3 S+ 0 0 24 -236,-0.2 -1,-0.3 -2,-0.1 -2,-0.1 0.249 94.5 95.2 102.4 -12.4 -18.5 81.2 63.0 366 380 A L < - 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0 0 8 -5,-2.0 2,-0.4 -52,-0.2 -1,-0.2 -0.864 50.1-142.7-107.4 137.7 -13.4 94.4 80.1 380 394 A W E -p 329 0D 1 -52,-1.9 -50,-3.2 -2,-0.4 2,-0.3 -0.793 19.3-168.6 -95.6 131.7 -15.7 95.5 77.2 381 395 A T E -p 330 0D 2 -2,-0.4 2,-0.3 -52,-0.2 -50,-0.2 -0.919 9.1-179.7-121.6 149.6 -14.1 95.6 73.7 382 396 A T E -p 331 0D 0 -52,-1.9 -50,-1.4 -2,-0.3 -272,-0.0 -0.982 17.2-144.6-143.7 149.1 -15.4 97.1 70.4 383 397 A H > - 0 0 10 -2,-0.3 3,-1.4 -52,-0.2 -50,-0.1 -0.870 6.8-168.9-124.6 99.3 -13.8 97.1 67.0 384 398 A P G > S+ 0 0 0 0, 0.0 3,-1.3 0, 0.0 6,-0.2 0.685 82.6 66.1 -58.2 -25.9 -14.3 100.2 64.8 385 399 A Y G 3 S+ 0 0 1 -53,-0.4 9,-0.1 -51,-0.3 -50,-0.1 0.771 103.4 47.7 -70.1 -23.5 -12.9 98.7 61.6 386 400 A W G < S+ 0 0 9 -3,-1.4 -1,-0.3 -52,-0.2 -258,-0.1 0.161 79.9 131.8-101.5 18.7 -15.8 96.2 61.5 387 401 A D S <> S- 0 0 2 -3,-1.3 4,-3.4 1,-0.1 5,-0.3 -0.444 71.7-117.1 -61.9 142.4 -18.3 99.0 62.1 388 402 A R H > S+ 0 0 4 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.926 113.0 43.4 -53.6 -47.9 -21.0 98.4 59.5 389 403 A E H > S+ 0 0 29 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.907 117.4 44.5 -65.5 -44.1 -20.3 101.7 57.7 390 404 A V H > S+ 0 0 3 -6,-0.2 4,-3.0 -175,-0.2 5,-0.2 0.957 116.2 48.2 -65.1 -46.7 -16.5 101.4 57.9 391 405 A L H X S+ 0 0 0 -4,-3.4 4,-3.0 1,-0.2 5,-0.3 0.941 108.8 52.0 -57.9 -53.4 -16.7 97.8 56.7 392 406 A D H X S+ 0 0 52 -4,-3.0 4,-1.9 -5,-0.3 -1,-0.2 0.917 114.8 44.3 -50.1 -47.3 -19.0 98.4 53.8 393 407 A L H X S+ 0 0 22 -4,-1.8 4,-1.3 -5,-0.2 -2,-0.2 0.943 113.5 46.7 -64.3 -53.1 -16.7 101.1 52.6 394 408 A L H < S+ 0 0 1 -4,-3.0 3,-0.4 1,-0.2 -2,-0.2 0.908 114.4 49.2 -59.3 -42.2 -13.4 99.3 53.0 395 409 A V H < S+ 0 0 2 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.895 108.9 53.7 -63.4 -40.2 -14.8 96.2 51.3 396 410 A S H < S+ 0 0 25 -4,-1.9 -195,-4.2 -5,-0.3 -1,-0.2 0.720 82.1 106.9 -69.7 -24.0 -16.2 98.2 48.4 397 411 A L B < S-l 201 0C 1 -4,-1.3 -195,-0.2 -3,-0.4 2,-0.1 -0.312 79.1-108.4 -62.6 138.4 -13.0 99.9 47.4 398 412 A E >> - 0 0 3 -197,-1.7 3,-3.0 1,-0.1 4,-0.5 -0.390 31.4-109.1 -65.2 143.9 -11.3 98.6 44.2 399 413 A A H >> S+ 0 0 0 1,-0.3 4,-2.5 2,-0.2 3,-1.2 0.743 114.6 68.9 -43.6 -34.6 -8.2 96.6 44.8 400 414 A G H 34 S+ 0 0 0 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.593 97.2 52.0 -66.3 -11.2 -6.1 99.4 43.4 401 415 A L H <4 S+ 0 0 1 -3,-3.0 10,-2.0 1,-0.1 -1,-0.3 0.577 111.4 46.4 -98.6 -13.3 -6.9 101.6 46.4 402 416 A K H << S+ 0 0 0 -3,-1.2 8,-2.7 -4,-0.5 2,-0.7 0.828 120.9 36.0 -93.7 -41.1 -5.8 98.9 48.8 403 417 A R S < S+ 0 0 26 -4,-2.5 2,-0.3 5,-0.2 -1,-0.3 -0.893 87.1 139.2-114.4 98.0 -2.5 98.0 47.1 404 418 A R B > +R 407 0F 60 3,-1.8 3,-0.9 -2,-0.7 -3,-0.1 -0.997 57.3 12.6-144.2 145.5 -1.2 101.3 45.7 405 419 A H T 3 S- 0 0 125 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.825 128.0 -62.5 60.2 33.2 2.3 102.9 45.4 406 420 A G T 3 S+ 0 0 52 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.826 114.3 114.3 63.4 33.1 3.9 99.7 46.4 407 421 A R B X -R 404 0F 79 -3,-0.9 -3,-1.8 -60,-0.0 3,-0.8 -0.997 63.0-127.0-140.1 135.7 2.2 99.7 49.8 408 422 A D T 3 S+ 0 0 21 -2,-0.4 -5,-0.2 1,-0.2 5,-0.2 -0.447 92.6 11.9 -77.5 152.0 -0.5 97.5 51.3 409 423 A K T >> S+ 0 0 4 -69,-0.5 4,-1.8 -7,-0.4 3,-1.1 0.824 82.2 167.7 51.3 34.5 -3.7 98.9 52.8 410 424 A W H <> + 0 0 16 -8,-2.7 4,-2.9 -3,-0.8 5,-0.3 0.866 63.4 55.9 -44.7 -56.1 -2.7 102.2 51.1 411 425 A V H 3> S+ 0 0 0 -10,-2.0 4,-1.1 1,-0.2 -1,-0.3 0.818 110.2 47.0 -51.6 -36.1 -6.0 104.1 51.5 412 426 A L H <> S+ 0 0 0 -3,-1.1 4,-0.9 2,-0.2 -1,-0.2 0.912 111.3 49.9 -73.4 -43.2 -5.9 103.6 55.3 413 427 A R H >< S+ 0 0 1 -4,-1.8 3,-1.0 1,-0.2 4,-0.5 0.936 112.4 47.8 -60.1 -47.0 -2.3 104.6 55.6 414 428 A A H >< S+ 0 0 25 -4,-2.9 3,-0.5 1,-0.2 4,-0.3 0.802 105.8 60.5 -65.6 -27.3 -2.9 107.7 53.6 415 429 A A H 3< S+ 0 0 4 -4,-1.1 -1,-0.2 -5,-0.3 -2,-0.2 0.705 111.5 37.4 -73.4 -21.1 -6.0 108.5 55.7 416 430 A M T XX S+ 0 0 0 -3,-1.0 3,-1.9 -4,-0.9 4,-0.7 0.336 85.9 107.9-110.4 4.5 -4.0 108.7 58.9 417 431 A A G X4 S+ 0 0 49 -3,-0.5 3,-0.9 -4,-0.5 -2,-0.1 0.885 78.6 46.9 -48.5 -53.4 -0.9 110.4 57.4 418 432 A D G 34 S+ 0 0 134 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.189 116.1 47.7 -79.7 20.0 -1.5 113.9 58.9 419 433 A A G <4 S+ 0 0 20 -3,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.387 109.4 44.3-136.8 -1.4 -2.1 112.3 62.4 420 434 A L S << S- 0 0 7 -3,-0.9 -1,-0.2 -4,-0.7 -147,-0.1 -0.955 90.6 -84.3-143.1 160.1 0.7 109.9 62.9 421 435 A P >> - 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0 0 49 -2,-0.5 35,-0.3 2,-0.2 34,-0.1 0.639 56.8-109.4-109.3 -22.0 -46.9 106.6 30.2 742 250 B G S S+ 0 0 0 1,-0.4 191,-0.1 33,-0.2 -2,-0.0 0.253 79.6 121.3 109.9 -12.8 -47.6 109.5 32.4 743 251 B G S > S- 0 0 21 1,-0.1 4,-1.5 188,-0.0 -1,-0.4 -0.287 79.3-103.9 -76.5 170.0 -46.7 107.8 35.7 744 252 B I H > S+ 0 0 3 189,-0.3 4,-2.7 1,-0.2 5,-0.2 0.874 114.7 60.5 -63.9 -37.3 -43.9 109.1 37.9 745 253 B D H > S+ 0 0 15 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.960 112.5 32.4 -55.9 -61.6 -41.4 106.5 36.7 746 254 B S H > S+ 0 0 7 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.779 118.5 57.1 -68.8 -26.1 -41.3 107.3 33.0 747 255 B S H X S+ 0 0 0 -4,-1.5 4,-2.5 2,-0.2 -1,-0.2 0.883 104.0 51.9 -71.5 -39.4 -41.9 111.0 33.7 748 256 B G H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.939 111.4 46.3 -61.9 -48.7 -38.8 111.2 36.0 749 257 B V H X S+ 0 0 0 -4,-1.7 4,-3.6 -5,-0.2 5,-0.2 0.921 111.3 52.7 -59.1 -46.0 -36.6 109.6 33.3 750 258 B A H X S+ 0 0 0 -4,-2.1 4,-3.1 1,-0.2 5,-0.2 0.921 108.9 49.3 -57.1 -46.1 -38.1 112.0 30.6 751 259 B A H X S+ 0 0 8 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.905 116.0 43.2 -60.8 -42.9 -37.3 115.0 32.8 752 260 B C H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.924 114.8 49.9 -68.4 -44.6 -33.7 113.8 33.3 753 261 B A H X S+ 0 0 0 -4,-3.6 4,-2.5 2,-0.2 5,-0.3 0.914 108.0 52.1 -60.1 -47.9 -33.3 112.8 29.7 754 262 B H H X S+ 0 0 56 -4,-3.1 4,-2.8 1,-0.2 5,-0.3 0.942 110.0 50.3 -54.9 -47.3 -34.6 116.2 28.4 755 263 B R H < S+ 0 0 131 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.887 112.6 47.5 -57.8 -40.1 -32.1 117.9 30.6 756 264 B A H < S+ 0 0 34 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.808 121.6 33.2 -73.3 -31.1 -29.3 115.6 29.3 757 265 B A H < S- 0 0 32 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.661 96.8-126.1-101.8 -15.7 -30.1 116.0 25.6 758 266 B G S < S+ 0 0 58 -4,-2.8 2,-0.3 -5,-0.3 -3,-0.1 0.266 92.8 27.8 87.9 -12.9 -31.4 119.6 25.5 759 267 B E S S- 0 0 115 -6,-0.3 2,-0.3 -5,-0.3 -2,-0.2 -0.946 75.7-152.3-164.8 171.5 -34.5 118.2 23.8 760 268 B L - 0 0 5 24,-0.3 26,-2.5 -2,-0.3 2,-0.4 -1.000 13.2-139.9-159.8 155.5 -36.4 114.9 23.8 761 269 B D E -df 737 786I 27 -25,-1.7 -23,-2.2 -2,-0.3 2,-0.3 -0.912 24.2-174.2-114.9 143.4 -38.7 112.6 21.9 762 270 B T E -df 738 787I 2 24,-2.9 26,-1.3 -2,-0.4 2,-0.3 -0.972 7.5-170.2-138.2 151.9 -41.6 110.7 23.7 763 271 B V E -df 739 788I 4 -25,-1.8 -23,-2.5 -2,-0.3 2,-0.4 -0.997 2.1-166.8-144.6 137.9 -44.0 108.1 22.6 764 272 B S E - f 0 789I 2 24,-2.3 26,-2.6 -2,-0.3 2,-0.4 -0.950 9.7-150.0-124.8 146.2 -47.1 106.7 24.3 765 273 B M E + f 0 790I 41 -2,-0.4 2,-0.3 -25,-0.2 7,-0.3 -0.951 20.0 169.8-120.5 136.3 -49.0 103.6 23.4 766 274 B G E - f 0 791I 2 24,-3.3 26,-2.3 -2,-0.4 5,-0.2 -0.943 19.2-137.2-141.5 163.3 -52.7 103.0 23.9 767 275 B T E - f 0 792I 13 3,-2.7 23,-0.0 -2,-0.3 24,-0.0 -0.621 36.4 -98.8-115.5 176.7 -55.5 100.6 23.0 768 276 B D S S+ 0 0 108 24,-0.9 3,-0.1 -2,-0.2 23,-0.0 0.280 123.8 43.5 -76.8 11.2 -59.1 100.8 21.8 769 277 B T S S- 0 0 101 1,-0.4 2,-0.3 25,-0.0 -1,-0.2 0.642 123.5 -3.3-124.5 -35.4 -60.0 100.1 25.4 770 278 B S + 0 0 78 2,-0.0 -3,-2.7 0, 0.0 -1,-0.4 -0.995 55.5 166.5-159.0 158.6 -57.7 102.3 27.5 771 279 B N - 0 0 85 -2,-0.3 -5,-0.1 -5,-0.2 3,-0.1 -0.972 34.2-137.3-164.1 170.6 -54.9 104.7 27.5 772 280 B E > + 0 0 92 -2,-0.3 4,-2.3 -7,-0.3 5,-0.2 -0.143 59.0 127.4-127.8 33.6 -52.9 107.3 29.5 773 281 B F H > S+ 0 0 27 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.907 71.8 49.5 -60.0 -46.5 -52.6 109.9 26.7 774 282 B R H > S+ 0 0 202 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.931 112.9 46.9 -61.8 -44.5 -54.0 112.8 28.7 775 283 B E H > S+ 0 0 50 1,-0.2 4,-0.7 2,-0.2 3,-0.3 0.899 113.7 48.8 -63.8 -40.9 -51.7 112.1 31.7 776 284 B A H >X S+ 0 0 0 -4,-2.3 4,-2.2 -35,-0.3 3,-0.8 0.866 103.9 59.6 -67.8 -36.6 -48.7 111.8 29.4 777 285 B R H 3X S+ 0 0 87 -4,-2.5 4,-3.2 1,-0.3 5,-0.3 0.819 94.4 65.0 -63.7 -28.4 -49.5 115.0 27.5 778 286 B A H 3X S+ 0 0 21 -4,-1.2 4,-1.6 -3,-0.3 -1,-0.3 0.889 108.9 39.6 -60.0 -37.1 -49.2 116.9 30.7 779 287 B V H S+ 0 0 5 -4,-2.2 4,-1.8 1,-0.2 5,-1.5 0.939 113.1 41.5 -57.0 -48.3 -45.1 116.4 27.1 781 289 B D H <5S+ 0 0 72 -4,-3.2 -1,-0.2 2,-0.2 -2,-0.2 0.867 114.7 50.9 -68.6 -38.0 -46.4 120.0 27.4 782 290 B H H <5S+ 0 0 98 -4,-1.6 -2,-0.2 -5,-0.3 -1,-0.2 0.889 122.7 31.7 -67.5 -38.8 -44.4 120.7 30.5 783 291 B L H <5S- 0 0 15 -4,-2.9 -2,-0.2 -5,-0.1 -1,-0.2 0.587 100.4-133.5 -94.0 -13.2 -41.2 119.4 28.9 784 292 B R T <5 + 0 0 188 -4,-1.8 -24,-0.3 -5,-0.3 -3,-0.2 0.970 46.0 165.0 57.1 56.0 -42.1 120.5 25.4 785 293 B T < - 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0 0 5 -6,-0.3 -1,-0.2 -5,-0.3 -2,-0.1 -0.835 47.2-162.0-111.2 147.2 -39.6 83.8 29.6 811 319 B V + 0 0 57 -2,-0.3 153,-0.2 -3,-0.1 152,-0.1 0.186 56.7 114.3-111.3 15.2 -42.4 81.5 30.7 812 320 B D > - 0 0 50 60,-0.2 4,-2.5 1,-0.2 5,-0.2 -0.776 53.3-158.2 -91.7 109.0 -43.7 83.8 33.4 813 321 B P H > S+ 0 0 0 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.827 90.9 56.1 -53.0 -36.4 -47.3 84.9 32.4 814 322 B D H > S+ 0 0 64 2,-0.2 4,-1.6 1,-0.2 3,-0.3 0.968 110.3 42.1 -61.4 -54.6 -47.1 87.9 34.6 815 323 B I H > S+ 0 0 8 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.896 109.7 58.8 -58.5 -43.5 -43.9 89.3 33.0 816 324 B I H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.876 103.8 53.6 -54.8 -38.7 -45.3 88.4 29.6 817 325 B E H < S+ 0 0 35 -4,-1.7 3,-0.3 -3,-0.3 -1,-0.2 0.925 107.2 48.9 -63.0 -45.3 -48.2 90.7 30.4 818 326 B Y H X S+ 0 0 101 -4,-1.6 4,-0.6 1,-0.2 -1,-0.2 0.813 113.1 50.2 -63.6 -29.3 -46.0 93.6 31.2 819 327 B L H X S+ 0 0 0 -4,-1.9 4,-3.4 -5,-0.2 5,-0.3 0.762 90.6 75.7 -82.7 -27.1 -44.1 93.1 28.0 820 328 B L H X S+ 0 0 4 -4,-1.7 4,-2.4 -3,-0.3 5,-0.2 0.927 98.4 45.3 -50.4 -53.8 -47.0 92.9 25.6 821 329 B P H > S+ 0 0 48 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.881 116.9 48.2 -58.0 -38.7 -47.6 96.7 25.6 822 330 B L H X S+ 0 0 31 -4,-0.6 4,-2.8 2,-0.2 -2,-0.2 0.916 111.2 45.9 -69.7 -47.1 -43.9 97.2 25.2 823 331 B T H X S+ 0 0 0 -4,-3.4 4,-2.2 1,-0.2 5,-0.2 0.896 112.4 52.9 -65.3 -38.9 -43.3 94.7 22.4 824 332 B A H X S+ 0 0 5 -4,-2.4 4,-0.8 -5,-0.3 -1,-0.2 0.855 111.5 47.4 -63.3 -35.0 -46.3 96.1 20.5 825 333 B L H >X S+ 0 0 8 -4,-1.3 4,-1.3 -5,-0.2 3,-0.7 0.945 110.0 50.0 -72.9 -47.4 -44.8 99.6 20.9 826 334 B Y H 3< S+ 0 0 4 -4,-2.8 3,-0.2 1,-0.3 -2,-0.2 0.881 113.8 46.7 -59.0 -37.8 -41.3 98.7 19.8 827 335 B R H 3< S+ 0 0 99 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.676 107.3 57.8 -77.9 -17.5 -42.7 97.0 16.7 828 336 B A H << S+ 0 0 22 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.2 0.745 77.9 111.6 -84.4 -23.4 -45.1 99.9 15.9 829 337 B L < - 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0 0 39 -3,-2.0 -60,-0.2 -62,-0.1 -2,-0.1 0.730 65.4-160.5 -79.3 -24.7 -37.4 86.7 34.3 873 381 B N > + 0 0 15 -4,-0.4 3,-1.5 1,-0.1 -63,-0.1 0.747 37.3 147.5 50.4 25.2 -35.6 88.4 31.5 874 382 B E T 3 S+ 0 0 18 -5,-0.3 -1,-0.1 1,-0.3 -242,-0.1 0.737 70.1 40.9 -64.5 -22.0 -38.2 91.2 31.8 875 383 B M T 3 S+ 0 0 13 -244,-0.1 -1,-0.3 -67,-0.1 14,-0.1 0.083 80.8 142.0-113.6 22.1 -35.6 93.9 30.8 876 384 B S X - 0 0 3 -3,-1.5 3,-0.9 1,-0.1 4,-0.2 -0.326 53.8-134.1 -62.7 146.0 -33.9 92.1 28.0 877 385 B P T >> S+ 0 0 3 0, 0.0 4,-2.9 0, 0.0 3,-2.5 0.798 96.8 79.6 -72.0 -25.8 -33.0 94.3 25.0 878 386 B V H 3> S+ 0 0 6 1,-0.3 4,-1.6 2,-0.2 6,-0.1 0.765 78.6 71.5 -52.6 -27.7 -34.3 91.7 22.6 879 387 B L H <4 S+ 0 0 5 -3,-0.9 -1,-0.3 1,-0.2 -53,-0.1 0.825 116.7 20.5 -58.7 -31.7 -37.8 93.0 23.4 880 388 B S H X4>S+ 0 0 0 -3,-2.5 3,-2.1 -4,-0.2 5,-1.9 0.761 117.7 62.4-105.9 -38.2 -36.9 96.1 21.4 881 389 B T H ><5S+ 0 0 1 -4,-2.9 -358,-2.2 1,-0.3 3,-1.9 0.727 86.3 75.8 -63.0 -20.4 -34.0 94.9 19.2 882 390 B L T 3<5S+ 0 0 18 -4,-1.6 -1,-0.3 -5,-0.3 -3,-0.1 0.753 106.3 37.3 -61.8 -18.3 -36.4 92.5 17.6 883 391 B A T < 5S- 0 0 8 -3,-2.1 -1,-0.3 2,-0.2 -2,-0.2 0.206 128.9-101.4-112.4 7.2 -37.5 95.7 15.8 884 392 B G T < 5S+ 0 0 3 -3,-1.9 2,-0.3 1,-0.3 -3,-0.3 0.451 83.3 124.9 86.8 1.2 -34.0 97.1 15.6 885 393 B H < - 0 0 7 -5,-1.9 2,-0.4 -52,-0.1 -1,-0.3 -0.751 53.9-136.6 -98.2 141.6 -34.4 99.5 18.6 886 394 B W E -g 835 0I 1 -52,-2.1 -50,-2.8 -2,-0.3 2,-0.4 -0.753 20.3-163.3 -94.3 139.9 -32.0 99.5 21.5 887 395 B T E +g 836 0I 1 -2,-0.4 2,-0.3 -52,-0.2 -50,-0.2 -0.962 11.3 177.4-125.2 144.6 -33.5 99.8 25.1 888 396 B T E -g 837 0I 0 -52,-1.9 -50,-1.6 -2,-0.4 -12,-0.0 -0.994 17.2-148.3-143.9 144.1 -31.9 100.8 28.4 889 397 B H > - 0 0 11 -2,-0.3 3,-1.7 -52,-0.2 -50,-0.1 -0.831 5.2-168.6-120.4 94.9 -33.5 101.2 31.9 890 398 B P G > S+ 0 0 0 0, 0.0 3,-1.9 0, 0.0 6,-0.2 0.757 82.7 65.9 -51.9 -33.3 -32.0 103.8 34.2 891 399 B Y G 3 S+ 0 0 4 -53,-0.4 9,-0.2 -51,-0.3 -50,-0.1 0.804 102.9 48.4 -63.3 -26.5 -33.8 102.7 37.3 892 400 B W G < S+ 0 0 11 -3,-1.7 -1,-0.3 -52,-0.2 -262,-0.1 0.103 80.7 129.9-100.1 22.1 -32.0 99.4 37.3 893 401 B D S <> S- 0 0 1 -3,-1.9 4,-3.3 1,-0.1 5,-0.3 -0.476 72.6-115.4 -67.6 146.7 -28.6 101.2 36.8 894 402 B R H > S+ 0 0 12 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.871 113.1 43.2 -58.7 -40.2 -26.3 99.7 39.4 895 403 B E H > S+ 0 0 79 2,-0.2 4,-2.0 3,-0.1 -1,-0.2 0.930 118.2 44.2 -72.6 -44.0 -25.9 103.0 41.3 896 404 B V H > S+ 0 0 6 -6,-0.2 4,-2.6 -175,-0.2 5,-0.2 0.955 114.4 49.9 -63.5 -49.5 -29.5 103.9 41.2 897 405 B L H X S+ 0 0 0 -4,-3.3 4,-2.7 1,-0.2 5,-0.3 0.936 110.3 49.3 -54.9 -52.2 -30.6 100.4 42.1 898 406 B D H X S+ 0 0 47 -4,-2.0 4,-2.4 -5,-0.3 -1,-0.2 0.906 112.2 49.1 -55.3 -45.6 -28.3 100.1 45.1 899 407 B L H X S+ 0 0 32 -4,-2.0 4,-1.0 2,-0.2 -1,-0.2 0.940 112.5 45.9 -62.5 -47.6 -29.5 103.4 46.5 900 408 B L H >< S+ 0 0 4 -4,-2.6 3,-0.6 1,-0.2 -2,-0.2 0.908 113.5 48.8 -63.4 -43.4 -33.2 102.7 46.1 901 409 B V H 3< S+ 0 0 3 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.933 109.2 55.0 -61.0 -43.7 -32.8 99.2 47.7 902 410 B S H 3< S+ 0 0 29 -4,-2.4 -195,-2.5 -5,-0.3 -1,-0.2 0.677 84.9 104.4 -64.5 -20.9 -30.8 100.7 50.6 903 411 B L S << S- 0 0 1 -4,-1.0 -195,-0.1 -3,-0.6 5,-0.1 -0.378 81.1-105.7 -69.6 141.9 -33.4 103.3 51.6 904 412 B E >> - 0 0 6 -197,-0.4 3,-2.5 1,-0.1 4,-0.6 -0.359 30.5-113.9 -64.0 143.8 -35.5 102.6 54.7 905 413 B A H >> S+ 0 0 0 1,-0.3 4,-2.2 2,-0.2 3,-1.0 0.763 112.6 67.9 -50.8 -31.0 -39.1 101.5 53.9 906 414 B G H 34 S+ 0 0 0 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.662 97.1 53.5 -67.0 -15.1 -40.4 104.7 55.5 907 415 B L H <4 S+ 0 0 2 -3,-2.5 10,-1.8 1,-0.1 -1,-0.3 0.664 110.8 46.8 -91.0 -18.5 -38.9 106.7 52.6 908 416 B K H << S+ 0 0 0 -3,-1.0 8,-1.7 -4,-0.6 2,-0.6 0.822 118.4 37.9 -90.2 -36.9 -40.7 104.5 50.0 909 417 B R S < S+ 0 0 20 -4,-2.2 2,-0.3 6,-0.2 -1,-0.3 -0.930 81.0 137.7-120.4 104.2 -44.1 104.5 51.6 910 418 B R B > +H 913 0J 37 3,-1.8 3,-1.9 -2,-0.6 -3,-0.0 -0.997 59.4 9.5-152.0 144.4 -45.1 107.8 53.1 911 419 B H T 3 S- 0 0 130 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.776 124.2 -66.0 60.5 27.9 -48.1 110.2 53.3 912 420 B G T 3 S+ 0 0 46 1,-0.2 2,-0.4 -60,-0.1 -1,-0.3 0.622 112.1 119.4 71.1 10.7 -50.2 107.5 51.8 913 421 B R B X -H 910 0J 98 -3,-1.9 -3,-1.8 21,-0.1 3,-0.7 -0.932 60.9-130.6-114.9 134.2 -48.2 107.8 48.6 914 422 B D T 3 S+ 0 0 14 -2,-0.4 5,-0.2 1,-0.2 -5,-0.2 -0.321 89.3 11.9 -73.8 159.5 -46.1 105.0 47.0 915 423 B K T >> S+ 0 0 3 -7,-0.3 4,-1.9 1,-0.1 3,-1.2 0.814 78.2 167.0 40.6 40.3 -42.5 105.5 46.0 916 424 B W H <> + 0 0 50 -8,-1.7 4,-3.1 -3,-0.7 5,-0.3 0.909 67.9 58.9 -50.0 -49.1 -42.7 108.8 47.8 917 425 B V H 3> S+ 0 0 0 -10,-1.8 4,-1.8 1,-0.2 -1,-0.3 0.817 107.8 47.4 -53.0 -32.1 -38.9 109.3 47.7 918 426 B L H <> S+ 0 0 2 -3,-1.2 4,-1.2 2,-0.2 -1,-0.2 0.893 111.4 48.4 -76.9 -42.1 -39.1 109.2 43.9 919 427 B R H X S+ 0 0 7 -4,-1.9 4,-0.9 -5,-0.2 3,-0.4 0.921 113.7 49.6 -63.8 -40.4 -42.0 111.7 43.6 920 428 B A H >< S+ 0 0 26 -4,-3.1 3,-0.6 1,-0.2 4,-0.2 0.901 106.0 55.0 -64.2 -43.5 -40.2 114.0 46.0 921 429 B A H 3< S+ 0 0 5 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.758 118.7 34.1 -62.9 -25.4 -36.9 113.8 44.0 922 430 B M H >X S+ 0 0 0 -4,-1.2 3,-2.5 -3,-0.4 4,-0.6 0.417 83.7 109.8-109.3 -1.2 -38.7 114.9 40.9 923 431 B A T << S+ 0 0 54 -4,-0.9 -1,-0.1 -3,-0.6 -2,-0.1 0.631 80.6 48.3 -49.4 -21.0 -41.3 117.3 42.5 924 432 B D T 34 S+ 0 0 132 -4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.358 109.9 49.8-104.8 4.1 -39.5 120.3 41.0 925 433 B A T <4 S+ 0 0 17 -3,-2.5 -2,-0.2 2,-0.1 -1,-0.1 0.325 108.9 47.3-121.3 2.8 -39.2 119.1 37.4 926 434 B L S < S- 0 0 8 -4,-0.6 -147,-0.1 -3,-0.1 -1,-0.1 -0.964 92.6 -84.8-143.4 158.9 -42.7 118.0 36.7 927 435 B P >> - 0 0 28 0, 0.0 4,-1.8 0, 0.0 3,-1.8 -0.357 39.6-117.8 -65.5 143.8 -46.3 119.2 37.1 928 436 B A H 3> S+ 0 0 66 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.839 114.2 63.6 -47.2 -38.9 -47.8 118.6 40.5 929 437 B E H 3> S+ 0 0 100 1,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.839 106.9 42.2 -55.1 -38.4 -50.4 116.4 38.7 930 438 B T H <4 S+ 0 0 0 -3,-1.8 3,-0.2 2,-0.2 -2,-0.2 0.914 114.2 47.8 -78.6 -44.6 -47.8 114.0 37.6 931 439 B V H < S+ 0 0 9 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.775 118.7 41.8 -69.1 -24.4 -45.8 113.8 40.8 932 440 B N H < S+ 0 0 80 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.591 84.1 114.8 -96.8 -14.7 -48.9 113.3 42.9 933 441 B R S < S- 0 0 52 -4,-0.8 -189,-0.3 -5,-0.2 -3,-0.0 -0.405 70.6-121.6 -61.8 120.7 -50.7 110.9 40.5 934 442 B P - 0 0 86 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.270 13.6-122.1 -63.2 150.8 -51.0 107.5 42.3 935 443 B K 0 0 72 -87,-0.1 -86,-0.1 -192,-0.1 -2,-0.0 0.938 360.0 360.0 -58.7 -49.6 -49.3 104.5 40.6 936 444 B L 0 0 156 0, 0.0 -87,-0.0 0, 0.0 -1,-0.0 0.842 360.0 360.0-105.8 360.0 -52.6 102.6 40.5 937 ! 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 0.0 938 453 B T 0 0 121 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 124.2 -58.4 92.7 34.7 939 454 B S > - 0 0 35 1,-0.1 4,-3.2 4,-0.0 5,-0.2 -0.351 360.0-106.7 -83.8 169.2 -55.7 92.8 32.1 940 455 B S H > S+ 0 0 30 1,-0.2 4,-3.2 2,-0.2 5,-0.1 0.897 122.7 52.3 -60.9 -43.0 -56.1 92.1 28.4 941 456 B F H > S+ 0 0 2 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.885 114.0 43.1 -62.8 -38.2 -54.5 88.7 28.8 942 457 B S H > S+ 0 0 20 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.895 112.9 52.3 -73.0 -41.5 -56.9 87.9 31.6 943 458 B R H X S+ 0 0 112 -4,-3.2 4,-3.1 1,-0.2 5,-0.3 0.948 104.8 58.1 -57.5 -49.3 -59.8 89.3 29.7 944 459 B L H < S+ 0 0 37 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.878 112.4 37.4 -49.2 -49.1 -58.9 87.1 26.7 945 460 B L H ><>S+ 0 0 0 -4,-1.3 5,-2.0 1,-0.2 3,-0.8 0.851 115.7 54.6 -74.4 -32.9 -59.1 83.9 28.7 946 461 B L H ><5S+ 0 0 37 -4,-2.5 3,-1.2 1,-0.3 -2,-0.2 0.840 106.0 52.3 -68.5 -30.8 -62.1 85.2 30.6 947 462 B D T 3<5S+ 0 0 115 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.550 101.9 62.6 -79.8 -6.7 -63.8 85.9 27.2 948 463 B H T < 5S- 0 0 76 -3,-0.8 -1,-0.3 -5,-0.3 -2,-0.2 0.352 124.2-104.6 -96.9 4.9 -63.0 82.3 26.4 949 464 B G T < 5 + 0 0 70 -3,-1.2 2,-0.3 1,-0.3 -3,-0.2 0.722 66.8 156.7 80.5 22.3 -65.3 81.2 29.2 950 465 B V < - 0 0 9 -5,-2.0 -1,-0.3 1,-0.1 5,-0.1 -0.661 49.1-105.4 -85.0 134.9 -62.4 80.3 31.6 951 466 B A >> - 0 0 50 -2,-0.3 3,-1.7 1,-0.1 4,-0.5 -0.286 23.2-127.0 -58.2 137.5 -63.2 80.2 35.3 952 467 B E G >4 S+ 0 0 142 1,-0.3 3,-0.8 2,-0.2 4,-0.5 0.834 109.9 56.1 -55.4 -35.1 -61.7 83.2 37.1 953 468 B D G 34 S+ 0 0 130 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.657 113.4 40.3 -74.3 -14.9 -60.0 80.9 39.6 954 469 B R G <> S+ 0 0 138 -3,-1.7 4,-1.8 2,-0.1 -1,-0.2 0.282 86.9 96.1-115.3 8.7 -58.2 79.1 36.8 955 470 B V H S+ 0 0 79 -4,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.930 112.7 45.0 -55.3 -49.2 -53.8 82.4 35.9 957 472 B E H > S+ 0 0 98 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.860 111.9 53.9 -63.5 -34.9 -52.9 78.8 35.4 958 473 B A H X S+ 0 0 0 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.863 108.9 48.5 -66.5 -36.8 -54.5 79.0 32.0 959 474 B K H X S+ 0 0 14 -4,-2.4 4,-2.2 2,-0.2 5,-0.2 0.880 108.2 54.4 -70.2 -38.5 -52.3 81.9 31.1 960 475 B R H X S+ 0 0 99 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.892 108.5 49.7 -62.2 -40.0 -49.2 80.0 32.4 961 476 B Q H X S+ 0 0 52 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.894 108.0 53.5 -66.1 -40.7 -50.1 77.2 30.0 962 477 B V H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 5,-0.2 0.963 111.9 43.0 -58.2 -55.2 -50.5 79.5 27.1 963 478 B V H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.904 112.2 55.5 -58.1 -44.0 -47.1 81.1 27.5 964 479 B R H X S+ 0 0 104 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.953 110.9 44.0 -53.8 -51.9 -45.6 77.7 28.1 965 480 B E H X S+ 0 0 54 -4,-2.7 4,-1.2 1,-0.2 -1,-0.2 0.867 111.3 52.9 -62.9 -38.6 -47.0 76.4 24.8 966 481 B L H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 5,-0.4 0.838 108.9 52.3 -65.8 -33.1 -45.9 79.5 22.9 967 482 B F H X>S+ 0 0 2 -4,-2.2 5,-2.1 -5,-0.2 4,-1.7 0.944 106.2 51.6 -67.6 -48.9 -42.4 79.0 24.3 968 483 B D H <5S+ 0 0 56 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.775 115.6 44.4 -60.4 -25.7 -42.2 75.4 23.1 969 484 B L H <5S+ 0 0 41 -4,-1.2 6,-2.0 3,-0.2 -2,-0.2 0.920 125.5 25.5 -84.1 -49.2 -43.2 76.5 19.7 970 485 B T H <5S+ 0 0 2 -4,-2.6 4,-0.4 4,-0.2 -3,-0.2 0.920 133.7 26.8 -84.4 -49.4 -41.0 79.6 19.2 971 486 B V T <5S+ 0 0 3 -4,-1.7 -3,-0.2 -5,-0.4 -317,-0.1 0.910 137.5 25.6 -83.3 -45.2 -38.0 79.1 21.4 972 487 B G S - 0 0 73 -2,-0.3 3,-1.7 1,-0.1 -173,-0.1 -0.528 22.6-119.2 -80.7 147.0 -41.3 82.2 14.1 977 492 B P G > S+ 0 0 2 0, 0.0 3,-1.9 0, 0.0 -174,-0.1 0.834 109.1 65.3 -52.3 -39.6 -44.0 84.1 16.0 978 493 B S G 3 S+ 0 0 82 1,-0.3 -175,-0.0 -176,-0.1 -3,-0.0 0.727 100.1 51.7 -59.1 -24.3 -45.8 85.2 12.8 979 494 B E G < S+ 0 0 125 -3,-1.7 2,-0.5 2,-0.1 -1,-0.3 0.126 87.4 107.0-102.1 23.3 -46.6 81.5 12.0 980 495 B V < - 0 0 20 -3,-1.9 2,-1.6 -5,-0.0 3,-0.2 -0.892 65.5-141.7-106.3 121.9 -48.1 80.9 15.4 981 496 B D > + 0 0 87 -2,-0.5 4,-2.4 1,-0.2 5,-0.2 -0.635 23.1 178.0 -82.0 88.6 -51.9 80.5 15.7 982 497 B T H > S+ 0 0 19 -2,-1.6 4,-2.9 1,-0.2 5,-0.2 0.859 79.2 53.2 -61.0 -37.6 -52.4 82.3 19.0 983 498 B D H > S+ 0 0 122 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.945 109.7 48.9 -63.1 -47.1 -56.2 81.8 18.8 984 499 B D H > S+ 0 0 85 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.936 113.5 46.8 -56.2 -49.9 -55.7 78.1 18.3 985 500 B V H X S+ 0 0 4 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.943 114.6 45.5 -59.0 -52.2 -53.3 77.8 21.2 986 501 B V H X S+ 0 0 3 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.898 113.4 48.7 -61.1 -42.9 -55.5 79.8 23.6 987 502 B R H X S+ 0 0 148 -4,-2.9 4,-2.8 -5,-0.2 -1,-0.2 0.898 110.0 54.6 -64.4 -37.8 -58.7 78.0 22.7 988 503 B S H X S+ 0 0 41 -4,-2.3 4,-2.1 -5,-0.3 -2,-0.2 0.940 110.0 44.1 -60.8 -49.3 -56.8 74.7 23.1 989 504 B V H X S+ 0 0 0 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.904 111.7 55.3 -63.3 -39.3 -55.7 75.6 26.7 990 505 B A H >< S+ 0 0 14 -4,-2.4 3,-0.7 -5,-0.2 -2,-0.2 0.957 106.7 49.8 -56.6 -53.3 -59.2 76.9 27.4 991 506 B D H 3< S+ 0 0 119 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.923 109.0 51.2 -51.4 -51.4 -60.7 73.5 26.4 992 507 B R H 3< 0 0 141 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.784 360.0 360.0 -59.7 -26.9 -58.3 71.6 28.6 993 508 B T << 0 0 50 -4,-1.5 -2,-0.2 -3,-0.7 -1,-0.2 0.992 360.0 360.0 -74.4 360.0 -59.3 73.8 31.5