==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 06-NOV-07 3B9N . COMPND 2 MOLECULE: ALKANE MONOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS THERMODENITRIFICANS; . AUTHOR L.LI,W.YANG,F.XU,M.BARTLAM,Z.RAO . 867 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31176.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 604 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 102 11.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 3.0 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 . 4 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 . 1 0.1 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 . 58 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 93 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 266 30.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 27 3.1 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 1 5 1 2 0 3 0 4 2 3 3 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 2 6 6 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 6 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 0 0 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 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 3 A K 0 0 215 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -11.8 12.1 32.2 -7.6 2 4 A K - 0 0 89 399,-0.0 2,-0.4 1,-0.0 399,-0.3 -0.620 360.0-121.7 -88.6 148.7 9.7 33.2 -10.4 3 5 A I - 0 0 3 397,-3.6 399,-0.4 -2,-0.2 2,-0.3 -0.758 16.3-137.5 -95.2 135.0 6.6 31.1 -11.1 4 6 A H E -a 372 0A 19 367,-1.8 369,-3.0 -2,-0.4 2,-0.4 -0.670 20.4-166.7 -87.5 141.0 6.0 29.5 -14.5 5 7 A I E -a 373 0A 1 -2,-0.3 45,-1.4 367,-0.2 46,-1.0 -0.972 8.2-171.9-136.7 123.3 2.5 29.8 -15.9 6 8 A N E -ab 374 51A 0 367,-2.8 369,-3.2 -2,-0.4 2,-0.6 -0.866 22.3-132.7-109.2 144.0 1.0 27.9 -18.8 7 9 A A E -ab 375 52A 0 44,-2.1 46,-2.4 -2,-0.4 2,-0.4 -0.871 22.9-137.5 -97.4 119.1 -2.4 28.7 -20.2 8 10 A F E + b 0 53A 33 367,-3.1 369,-0.4 -2,-0.6 2,-0.3 -0.627 38.1 148.9 -81.7 133.6 -4.5 25.5 -20.7 9 11 A E E - b 0 54A 0 44,-2.5 46,-3.0 -2,-0.4 2,-0.3 -0.963 28.4-156.1-155.3 166.7 -6.5 25.2 -23.9 10 12 A M E - b 0 55A 5 -2,-0.3 2,-2.5 44,-0.2 46,-0.1 -0.986 31.3-117.0-152.1 143.9 -7.9 22.8 -26.5 11 13 A N S S+ 0 0 0 44,-0.6 70,-3.4 -2,-0.3 2,-0.2 -0.369 90.2 71.7 -79.8 62.7 -8.9 23.1 -30.2 12 14 A C B S-J 80 0B 0 -2,-2.5 -2,-0.2 68,-0.2 68,-0.2 -0.794 86.6-106.8-152.2-167.3 -12.5 22.3 -29.4 13 15 A V S S+ 0 0 1 66,-0.7 2,-0.8 1,-0.3 -1,-0.2 0.877 101.7 40.7 -97.7 -63.7 -15.6 23.9 -27.8 14 16 A G B +k 76 0C 6 61,-1.5 63,-1.8 65,-0.2 -1,-0.3 -0.779 63.4 152.5 -94.0 106.8 -16.0 22.1 -24.5 15 17 A H S S- 0 0 19 -2,-0.8 -1,-0.2 2,-0.2 3,-0.1 0.910 74.0 -35.3 -93.1 -75.9 -12.7 21.4 -22.8 16 18 A I S S+ 0 0 23 361,-0.2 2,-2.4 1,-0.1 362,-0.1 0.705 124.3 65.8-116.0 -63.5 -13.1 21.2 -19.0 17 19 A A S > S- 0 0 13 360,-0.6 3,-1.2 2,-0.1 4,-0.2 -0.396 82.0-158.9 -66.4 78.5 -15.7 23.7 -17.8 18 20 A H T 3 + 0 0 0 -2,-2.4 284,-2.5 1,-0.2 288,-0.2 -0.369 66.0 21.6 -70.5 135.1 -18.6 21.8 -19.5 19 21 A G T > S+ 0 0 2 55,-0.4 3,-1.7 282,-0.2 -1,-0.2 0.034 91.5 105.4 100.1 -22.7 -21.8 23.6 -20.3 20 22 A L G X + 0 0 1 -3,-1.2 3,-2.2 1,-0.3 6,-0.1 0.646 51.5 86.8 -66.5 -13.0 -20.2 27.0 -20.1 21 23 A W G 3 S+ 0 0 18 1,-0.3 -1,-0.3 -4,-0.2 8,-0.2 0.757 86.2 60.8 -59.0 -16.1 -20.2 27.5 -23.9 22 24 A R G < S+ 0 0 38 -3,-1.7 -1,-0.3 278,-0.2 -2,-0.2 0.716 73.9 115.2 -81.4 -21.2 -23.6 28.8 -23.1 23 25 A H S X S- 0 0 10 -3,-2.2 3,-2.6 -4,-0.2 274,-0.1 -0.295 74.3-128.3 -51.7 123.2 -22.3 31.6 -20.9 24 26 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.778 106.1 47.5 -45.3 -36.9 -23.2 34.9 -22.8 25 27 A E T 3 S+ 0 0 152 2,-0.0 357,-0.3 356,-0.0 2,-0.1 0.207 92.5 106.1 -94.9 16.2 -19.6 36.2 -22.6 26 28 A N < - 0 0 9 -3,-2.6 -5,-0.1 -6,-0.1 353,-0.1 -0.423 47.1-167.9 -91.7 170.0 -17.9 33.0 -23.8 27 29 A Q > + 0 0 50 353,-0.2 3,-2.5 -2,-0.1 4,-0.1 0.158 43.4 126.1-145.7 23.2 -16.4 32.2 -27.1 28 30 A R G > S+ 0 0 15 1,-0.3 3,-1.9 2,-0.2 4,-0.1 0.829 71.9 69.8 -52.7 -32.2 -15.7 28.5 -27.4 29 31 A H G 3 S+ 0 0 72 1,-0.3 3,-0.3 -8,-0.2 -1,-0.3 0.481 87.6 66.7 -66.8 -0.8 -17.7 28.6 -30.6 30 32 A R G X + 0 0 47 -3,-2.5 3,-1.7 1,-0.2 6,-0.3 0.310 62.5 106.3-101.6 6.2 -14.8 30.6 -32.2 31 33 A Y T < S+ 0 0 1 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.727 79.9 55.1 -58.5 -19.8 -12.3 27.7 -32.0 32 34 A T T 3 S+ 0 0 27 -3,-0.3 2,-0.4 -4,-0.1 -1,-0.3 0.694 91.0 87.6 -85.2 -19.8 -12.8 27.4 -35.8 33 35 A D <> - 0 0 37 -3,-1.7 4,-0.8 1,-0.1 3,-0.4 -0.693 68.5-151.6 -84.3 127.8 -11.8 31.0 -36.3 34 36 A L H > S+ 0 0 7 525,-0.5 4,-1.7 -2,-0.4 3,-0.4 0.870 93.2 61.4 -64.5 -39.7 -8.1 31.6 -36.7 35 37 A N H > S+ 0 0 59 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.832 94.5 64.7 -57.3 -34.0 -8.2 35.1 -35.3 36 38 A Y H > S+ 0 0 8 -3,-0.4 4,-1.9 -6,-0.3 -1,-0.2 0.962 105.9 42.9 -53.1 -53.2 -9.5 33.7 -32.1 37 39 A W H X S+ 0 0 0 -4,-0.8 4,-2.7 -3,-0.4 -2,-0.2 0.873 111.8 50.5 -62.5 -43.9 -6.2 31.9 -31.6 38 40 A T H X S+ 0 0 2 -4,-1.7 4,-2.8 2,-0.2 -1,-0.2 0.868 110.0 51.9 -64.7 -36.5 -3.8 34.6 -32.6 39 41 A E H X S+ 0 0 91 -4,-2.3 4,-3.5 2,-0.2 -1,-0.2 0.918 110.1 49.8 -63.5 -43.9 -5.6 37.0 -30.2 40 42 A L H X S+ 0 0 8 -4,-1.9 4,-3.2 -5,-0.3 -2,-0.2 0.934 111.6 47.1 -60.1 -48.4 -5.2 34.4 -27.5 41 43 A A H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.922 114.7 48.2 -59.8 -43.9 -1.4 34.1 -28.2 42 44 A Q H X S+ 0 0 88 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.936 113.1 46.4 -62.2 -48.3 -1.2 37.8 -28.3 43 45 A L H X S+ 0 0 32 -4,-3.5 4,-1.8 1,-0.2 -2,-0.2 0.934 111.9 51.6 -59.6 -48.2 -3.0 38.3 -25.0 44 46 A L H <>S+ 0 0 0 -4,-3.2 5,-2.4 1,-0.2 -1,-0.2 0.877 109.9 48.6 -57.6 -40.5 -1.0 35.5 -23.4 45 47 A E H ><5S+ 0 0 37 -4,-2.2 3,-2.3 1,-0.2 -1,-0.2 0.915 107.4 54.6 -67.3 -42.0 2.3 37.1 -24.4 46 48 A K H 3<5S+ 0 0 159 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.872 109.5 50.0 -57.5 -34.3 1.2 40.5 -23.2 47 49 A G T 3<5S- 0 0 2 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.379 114.8-122.0 -85.3 4.0 0.6 38.6 -19.9 48 50 A K T < 5 + 0 0 41 -3,-2.3 -3,-0.2 1,-0.2 -43,-0.2 0.684 46.7 174.0 64.1 21.2 4.1 37.1 -20.0 49 51 A F < - 0 0 0 -5,-2.4 49,-0.3 1,-0.1 -1,-0.2 -0.347 36.3-132.9 -60.4 137.2 2.8 33.5 -20.0 50 52 A D S S- 0 0 4 -45,-1.4 48,-2.0 1,-0.2 2,-0.3 0.925 75.0 -31.0 -55.1 -48.5 5.5 30.9 -20.4 51 53 A A E -bc 6 98A 0 -46,-1.0 -44,-2.1 46,-0.2 2,-0.7 -0.993 54.7-101.6-169.2 162.4 3.4 29.1 -23.0 52 54 A L E -bc 7 99A 0 46,-3.0 48,-2.2 -2,-0.3 2,-0.8 -0.848 36.1-151.0 -94.3 113.5 0.1 28.0 -24.4 53 55 A F E -bc 8 100A 4 -46,-2.4 -44,-2.5 -2,-0.7 2,-0.6 -0.780 10.4-162.7 -91.8 110.0 -0.6 24.4 -23.4 54 56 A L E -bc 9 101A 0 46,-3.7 48,-1.6 -2,-0.8 -44,-0.2 -0.828 4.3-168.3 -98.8 117.9 -2.7 22.6 -25.9 55 57 A A E +b 10 0A 9 -46,-3.0 -44,-0.6 -2,-0.6 2,-0.3 -0.394 13.0 178.0 -90.3 173.8 -4.4 19.4 -24.9 56 58 A D - 0 0 23 -46,-0.1 2,-0.3 -2,-0.1 47,-0.1 -0.988 21.6-155.1-168.6 169.7 -6.1 17.1 -27.4 57 59 A V - 0 0 17 -2,-0.3 78,-0.0 45,-0.1 45,-0.0 -0.978 10.7-169.7-152.6 145.3 -8.0 13.9 -28.1 58 60 A V S S+ 0 0 12 -2,-0.3 2,-0.2 79,-0.1 85,-0.1 0.287 75.4 71.8-117.8 5.1 -8.4 11.7 -31.1 59 61 A G S S- 0 0 1 80,-0.1 2,-0.4 81,-0.1 78,-0.1 -0.583 79.1-119.4-111.8 175.6 -11.1 9.6 -29.5 60 62 A I - 0 0 4 -2,-0.2 2,-1.5 252,-0.0 79,-0.4 -0.924 22.2-117.6-119.8 144.7 -14.7 10.4 -28.6 61 63 A Y + 0 0 12 15,-0.4 10,-0.5 -2,-0.4 11,-0.1 -0.636 55.0 145.9 -81.7 89.1 -16.3 10.3 -25.2 62 64 A D + 0 0 55 -2,-1.5 6,-0.2 1,-0.1 -1,-0.2 0.035 40.5 91.2-115.3 26.3 -18.8 7.5 -25.7 63 65 A V > + 0 0 23 245,-0.3 3,-2.6 3,-0.1 254,-0.1 0.954 63.1 80.5 -83.7 -59.3 -18.9 5.9 -22.3 64 66 A Y G > S- 0 0 20 244,-0.4 3,-1.2 1,-0.3 6,-0.4 -0.286 115.7 -0.3 -54.6 123.5 -21.7 7.7 -20.4 65 67 A R G 3 S- 0 0 133 1,-0.2 -1,-0.3 4,-0.1 3,-0.1 0.608 118.2 -85.7 70.1 11.8 -25.1 6.3 -21.4 66 68 A Q G < S+ 0 0 129 -3,-2.6 2,-0.3 1,-0.2 -1,-0.2 0.686 107.2 83.3 63.5 20.6 -23.2 3.9 -23.7 67 69 A S S < S- 0 0 39 -3,-1.2 3,-0.4 -6,-0.1 4,-0.3 -0.982 78.4-129.6-150.6 160.4 -23.2 6.5 -26.5 68 70 A R S >> S+ 0 0 33 -2,-0.3 4,-2.2 1,-0.2 3,-0.7 0.646 85.6 99.0 -82.0 -16.6 -21.3 9.6 -27.7 69 71 A D H 3> S+ 0 0 56 1,-0.3 4,-3.2 2,-0.2 5,-0.3 0.823 78.6 50.6 -38.9 -51.6 -24.6 11.5 -27.9 70 72 A T H 3> S+ 0 0 5 -3,-0.4 4,-3.1 -6,-0.4 -1,-0.3 0.935 111.3 49.4 -57.0 -46.5 -24.2 13.3 -24.6 71 73 A A H <>>S+ 0 0 0 -3,-0.7 5,-2.4 -10,-0.5 4,-1.5 0.955 114.7 43.9 -57.0 -53.3 -20.7 14.4 -25.7 72 74 A V H ><5S+ 0 0 1 -4,-2.2 3,-0.5 3,-0.2 553,-0.4 0.959 116.0 46.6 -56.0 -55.8 -21.9 15.7 -29.1 73 75 A R H 3<5S+ 0 0 76 -4,-3.2 551,-3.3 1,-0.3 552,-0.6 0.924 123.0 35.2 -52.5 -50.9 -25.0 17.4 -27.6 74 76 A E H 3<5S- 0 0 6 -4,-3.1 -55,-0.4 -5,-0.3 -1,-0.3 0.521 108.9-124.3 -81.7 -9.7 -23.0 19.0 -24.8 75 77 A A T <<5 + 0 0 0 -4,-1.5 -61,-1.5 -3,-0.5 2,-1.4 0.875 40.4 178.6 65.2 40.3 -19.9 19.5 -27.1 76 78 A V B > S+ 0 0 1 0, 0.0 3,-1.8 0, 0.0 4,-0.7 0.859 88.1 60.8 -73.2 -35.0 -3.8 21.5 -32.4 84 86 A L H >> S+ 0 0 4 1,-0.3 3,-0.7 2,-0.2 4,-0.6 0.824 90.9 68.5 -63.9 -29.8 -0.5 21.6 -34.4 85 87 A M H 34 S+ 0 0 1 1,-0.2 4,-0.3 -3,-0.1 439,-0.3 0.562 99.1 54.7 -64.6 -6.1 -2.3 23.4 -37.3 86 88 A L H <> S+ 0 0 0 -3,-1.8 4,-2.0 2,-0.1 -1,-0.2 0.755 87.1 79.7 -97.0 -30.7 -2.5 26.4 -34.9 87 89 A I H S+ 0 0 0 -4,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.947 117.3 43.0 -52.4 -52.4 -0.1 31.4 -37.0 90 92 A M H X S+ 0 0 0 -4,-2.0 4,-0.7 1,-0.2 3,-0.3 0.935 113.5 51.8 -61.1 -45.4 0.2 31.9 -33.3 91 93 A A H >< S+ 0 0 2 -4,-3.7 3,-1.1 -5,-0.2 -1,-0.2 0.893 104.9 56.8 -58.4 -41.3 4.0 31.8 -33.5 92 94 A Y H 3< S+ 0 0 71 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.882 108.5 47.1 -56.1 -41.3 4.1 34.4 -36.2 93 95 A V H 3< S+ 0 0 29 -4,-1.5 2,-0.3 -3,-0.3 -1,-0.3 0.536 113.3 53.9 -80.4 -9.2 2.2 36.8 -34.0 94 96 A T << - 0 0 11 -3,-1.1 -52,-0.1 -4,-0.7 -53,-0.0 -0.818 51.5-165.2-126.5 167.2 4.4 36.3 -30.9 95 97 A K S S+ 0 0 152 -2,-0.3 -1,-0.1 3,-0.0 -4,-0.0 0.664 89.5 11.7-119.1 -31.8 8.1 36.4 -30.0 96 98 A H S S+ 0 0 27 2,-0.1 310,-0.1 311,-0.0 -2,-0.1 0.727 88.1 108.1-118.9 -40.7 8.3 34.6 -26.6 97 99 A L - 0 0 0 -56,-0.1 -46,-0.2 -7,-0.1 2,-0.2 -0.194 61.1-146.5 -45.7 122.9 5.1 32.8 -25.8 98 100 A A E -c 51 0A 0 -48,-2.0 -46,-3.0 -49,-0.3 2,-0.4 -0.490 1.5-134.8 -93.4 167.8 5.9 29.1 -26.3 99 101 A F E -cd 52 128A 0 28,-3.3 30,-2.8 -48,-0.2 2,-0.6 -0.957 13.8-171.7-133.9 119.5 3.6 26.3 -27.5 100 102 A A E -cd 53 129A 0 -48,-2.2 -46,-3.7 -2,-0.4 2,-0.4 -0.932 12.7-166.4-108.9 120.6 3.1 22.9 -26.1 101 103 A V E -cd 54 130A 0 28,-2.9 30,-2.1 -2,-0.6 2,-0.4 -0.910 17.5-129.8-112.8 135.0 1.0 20.5 -28.2 102 104 A T E + d 0 131A 8 -48,-1.6 2,-0.3 -2,-0.4 30,-0.2 -0.651 32.8 171.2 -80.9 130.7 -0.5 17.2 -27.0 103 105 A F E - d 0 132A 17 28,-1.8 30,-1.4 -2,-0.4 2,-0.1 -0.954 26.9-132.1-146.6 124.7 0.3 14.3 -29.3 104 106 A S E - d 0 133A 11 -2,-0.3 4,-0.4 28,-0.2 30,-0.2 -0.464 3.7-158.0 -75.7 145.4 -0.4 10.6 -28.8 105 107 A T S S+ 0 0 3 28,-2.2 29,-0.2 -2,-0.1 -1,-0.1 0.465 80.7 78.7 -97.4 -5.5 2.4 8.1 -29.4 106 108 A T S S+ 0 0 15 27,-0.5 -1,-0.1 1,-0.1 44,-0.1 0.718 100.3 24.5 -77.6 -24.4 -0.2 5.3 -29.8 107 109 A Y S S+ 0 0 28 1,-0.2 2,-0.4 -3,-0.2 438,-0.1 0.868 105.1 55.7-109.9 -54.1 -1.5 5.9 -33.4 108 110 A E S S- 0 0 18 -4,-0.4 -1,-0.2 1,-0.1 5,-0.1 -0.756 84.7-101.7 -97.6 131.4 0.7 7.7 -35.9 109 111 A H > - 0 0 34 -2,-0.4 4,-1.3 434,-0.1 3,-0.3 -0.018 24.4-130.9 -45.2 140.1 4.2 6.7 -36.8 110 112 A P H > S+ 0 0 0 0, 0.0 4,-3.8 0, 0.0 5,-0.2 0.860 100.5 65.8 -63.0 -41.9 7.1 8.7 -35.2 111 113 A Y H > S+ 0 0 4 468,-0.3 4,-1.2 1,-0.2 100,-0.2 0.897 106.1 46.3 -50.0 -42.8 9.1 9.4 -38.4 112 114 A G H > S+ 0 0 7 -3,-0.3 4,-1.3 1,-0.2 3,-0.3 0.923 116.3 42.0 -67.3 -45.5 6.1 11.6 -39.5 113 115 A H H X S+ 0 0 0 -4,-1.3 4,-2.5 1,-0.2 5,-0.3 0.829 105.1 67.0 -70.7 -30.6 5.7 13.4 -36.2 114 116 A A H X S+ 0 0 0 -4,-3.8 4,-1.7 1,-0.2 -1,-0.2 0.876 103.9 44.9 -57.1 -39.1 9.5 13.7 -35.9 115 117 A R H X S+ 0 0 17 -4,-1.2 4,-2.8 -3,-0.3 403,-0.4 0.873 108.7 55.8 -74.1 -38.5 9.4 16.1 -38.9 116 118 A R H X S+ 0 0 9 -4,-1.3 4,-2.7 2,-0.2 5,-0.2 0.953 109.6 45.8 -59.5 -49.4 6.4 18.1 -37.7 117 119 A M H X S+ 0 0 1 -4,-2.5 4,-3.3 1,-0.2 5,-0.2 0.945 112.4 50.9 -59.6 -47.9 8.1 18.9 -34.4 118 120 A S H X S+ 0 0 3 -4,-1.7 4,-2.4 -5,-0.3 -1,-0.2 0.923 110.9 49.3 -55.1 -46.1 11.4 19.8 -36.1 119 121 A T H X S+ 0 0 0 -4,-2.8 4,-3.6 2,-0.2 5,-0.2 0.930 113.7 45.1 -60.0 -47.6 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0.496 102.8 70.4 -56.3 -3.4 -14.8 17.6 -68.3 707 273 B D G 3 S+ 0 0 128 1,-0.2 -2,-0.1 3,-0.1 3,-0.0 0.580 84.4 68.2 -87.8 -13.9 -15.3 21.3 -67.4 708 274 B H G < S+ 0 0 50 -3,-3.6 2,-0.4 1,-0.2 -1,-0.2 0.213 89.2 77.7 -87.4 14.2 -15.1 20.3 -63.8 709 275 B I < - 0 0 0 -3,-0.6 2,-0.3 -4,-0.0 -32,-0.2 -0.824 69.3-157.3-130.1 94.9 -11.4 19.5 -64.4 710 276 B K E -w 677 0I 27 -34,-3.3 -32,-2.6 -2,-0.4 2,-0.5 -0.535 13.2-144.7 -72.4 128.4 -9.0 22.5 -64.5 711 277 B M E -w 678 0I 0 -2,-0.3 96,-2.4 94,-0.2 97,-1.9 -0.815 16.6-170.9 -99.1 130.8 -5.8 21.6 -66.4 712 278 B F E -wx 679 808I 0 -34,-2.7 -32,-3.9 -2,-0.5 2,-0.3 -0.960 7.6-161.2-123.4 138.6 -2.5 23.2 -65.3 713 279 B A E - x 0 809I 0 95,-1.7 97,-2.9 -2,-0.4 2,-0.3 -0.831 24.0-119.4-112.6 152.0 0.9 23.1 -66.9 714 280 B G E + x 0 810I 2 -34,-0.5 70,-1.1 -32,-0.4 2,-0.3 -0.644 37.4 176.8 -86.4 151.1 4.1 23.8 -65.1 715 281 B I E -yx 784 811I 1 95,-2.0 97,-2.5 -2,-0.3 2,-0.5 -0.933 25.0-150.4-159.9 134.5 6.1 26.8 -66.4 716 282 B C E -yx 785 812I 0 68,-2.7 70,-2.6 -2,-0.3 2,-0.4 -0.900 21.3-159.0-104.3 130.8 9.3 28.6 -65.5 717 283 B V E +y 786 0I 4 95,-0.7 2,-0.4 -2,-0.5 70,-0.2 -0.934 17.7 178.0-118.8 133.8 9.4 32.3 -66.4 718 284 B I E +y 787 0I 3 68,-2.3 70,-2.2 -2,-0.4 2,-0.2 -0.885 22.3 169.6-131.8 98.9 12.4 34.6 -66.8 719 285 B V E +y 788 0I 1 -2,-0.4 2,-0.3 68,-0.2 70,-0.2 -0.706 15.8 172.4-113.9 163.4 11.4 38.2 -67.8 720 286 B G - 0 0 0 68,-1.0 -2,-0.0 -2,-0.2 4,-0.0 -0.949 45.6-110.7-156.3 160.4 12.9 41.6 -68.1 721 287 B K S S+ 0 0 125 -2,-0.3 2,-0.2 68,-0.2 -1,-0.1 0.913 108.6 31.1 -64.0 -38.7 11.7 44.9 -69.5 722 288 B T S > S- 0 0 62 1,-0.1 4,-1.8 67,-0.1 5,-0.1 -0.702 89.5-113.3-113.3 165.5 14.1 44.4 -72.4 723 289 B H H > S+ 0 0 96 -2,-0.2 4,-2.9 2,-0.2 5,-0.3 0.968 114.4 56.7 -61.9 -52.9 15.4 41.3 -74.1 724 290 B D H > S+ 0 0 129 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.893 107.0 48.1 -42.9 -55.2 18.9 41.8 -72.8 725 291 B E H > S+ 0 0 79 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.923 110.9 51.1 -55.6 -47.0 17.8 41.9 -69.2 726 292 B 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-1,-0.1 0.634 78.1 17.4-106.3 -27.1 -7.3 42.0 -61.5 840 406 B D S S- 0 0 106 -356,-0.1 -1,-0.4 0, 0.0 2,-0.2 -0.989 84.0-102.4-146.9 152.2 -9.2 41.4 -58.3 841 407 B Y - 0 0 30 -2,-0.3 2,-0.7 -3,-0.1 -308,-0.0 -0.512 29.1-129.3 -77.5 141.3 -10.2 38.3 -56.2 842 408 B E - 0 0 109 -2,-0.2 -1,-0.1 -310,-0.1 7,-0.1 -0.818 33.9-111.0 -92.5 111.3 -13.8 37.1 -56.4 843 409 B E S S+ 0 0 123 -2,-0.7 2,-0.2 5,-0.1 -1,-0.1 0.018 76.0 65.8 -37.6 143.2 -15.2 36.7 -52.8 844 410 B G S S- 0 0 34 -283,-0.1 9,-0.1 9,-0.1 2,-0.0 -0.787 84.8 -47.7 133.8-176.7 -15.7 33.0 -51.8 845 411 B T > - 0 0 13 -2,-0.2 4,-2.4 -193,-0.1 -282,-0.2 -0.175 58.0-100.3 -80.7-177.8 -13.9 29.8 -51.1 846 412 B Y H > S+ 0 0 2 -284,-2.7 4,-2.4 2,-0.2 5,-0.3 0.935 123.5 53.2 -72.0 -46.0 -11.2 28.3 -53.4 847 413 B R H > S+ 0 0 2 -285,-0.4 4,-2.4 9,-0.2 -1,-0.2 0.840 113.3 46.1 -58.2 -30.7 -13.6 25.8 -55.0 848 414 B E H > S+ 0 0 20 2,-0.2 4,-3.0 3,-0.2 -1,-0.2 0.931 107.9 53.8 -75.9 -47.5 -15.8 28.8 -55.8 849 415 B K H < S+ 0 0 14 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.868 119.0 38.3 -53.9 -34.9 -13.0 31.0 -57.1 850 416 B L H < S+ 0 0 9 -4,-2.4 -1,-0.2 1,-0.1 -2,-0.2 0.844 133.8 21.5 -84.6 -37.8 -12.2 28.0 -59.4 851 417 B F H < S- 0 0 34 -4,-2.4 -2,-0.2 -5,-0.3 -3,-0.2 0.195 116.6 -85.7-121.1 20.4 -15.8 27.0 -60.2 852 418 B G >< - 0 0 29 -4,-3.0 3,-2.1 2,-0.1 -1,-0.2 0.300 54.7 -59.3 92.1 142.2 -18.0 29.9 -59.5 853 419 B K T 3 S+ 0 0 159 1,-0.3 -9,-0.1 -4,-0.1 -10,-0.0 -0.205 121.4 35.9 -53.9 141.9 -19.8 31.4 -56.5 854 420 B G T 3 S+ 0 0 46 1,-0.0 2,-1.0 0, 0.0 3,-0.4 -0.014 94.5 93.4 101.1 -29.2 -22.3 29.0 -55.0 855 421 B N < + 0 0 81 -3,-2.1 -4,-0.2 1,-0.2 -5,-0.1 -0.456 36.8 129.7 -96.7 62.1 -20.0 26.0 -55.7 856 422 B Y + 0 0 107 -2,-1.0 2,-0.4 -9,-0.1 -9,-0.2 0.762 67.0 57.3 -82.8 -25.7 -18.1 25.9 -52.4 857 423 B R S S- 0 0 51 -3,-0.4 -203,-0.1 1,-0.2 3,-0.1 -0.873 104.4 -77.0-113.7 142.0 -18.9 22.2 -52.1 858 424 B L - 0 0 5 -205,-0.5 -1,-0.2 -2,-0.4 -2,-0.1 0.262 57.2 -91.7 -27.9 143.8 -18.1 19.4 -54.5 859 425 B P > - 0 0 21 0, 0.0 3,-1.4 0, 0.0 6,-0.3 -0.219 27.9-120.9 -61.1 152.7 -20.2 18.9 -57.7 860 426 B D T 3 S+ 0 0 144 1,-0.3 -2,-0.1 -3,-0.1 -156,-0.0 0.738 113.0 59.8 -67.5 -22.7 -23.2 16.5 -57.6 861 427 B D T 3 S+ 0 0 53 4,-0.0 2,-0.3 3,-0.0 -1,-0.3 0.259 85.2 100.5 -89.9 11.9 -21.5 14.5 -60.4 862 428 B H S X S- 0 0 3 -3,-1.4 3,-1.9 1,-0.1 4,-0.4 -0.767 80.6-124.7 -98.6 142.1 -18.4 13.8 -58.3 863 429 B I G > S+ 0 0 26 -190,-0.5 3,-2.8 -2,-0.3 -1,-0.1 0.854 110.1 66.1 -53.8 -36.4 -18.1 10.4 -56.5 864 430 B A G > S+ 0 0 0 1,-0.3 3,-1.6 2,-0.2 -1,-0.3 0.798 90.2 65.5 -55.3 -28.5 -17.6 12.2 -53.2 865 431 B A G X S+ 0 0 19 -3,-1.9 3,-1.1 -6,-0.3 -1,-0.3 0.728 84.8 74.2 -66.1 -20.4 -21.2 13.3 -53.7 866 432 B R G < S+ 0 0 202 -3,-2.8 -1,-0.3 -4,-0.4 -2,-0.2 0.426 91.6 58.8 -72.0 2.6 -22.1 9.6 -53.3 867 433 B Y G < 0 0 63 -3,-1.6 -1,-0.3 1,-0.1 -2,-0.1 0.003 360.0 360.0-124.3 31.3 -21.4 9.9 -49.6 868 434 B R < 0 0 136 -3,-1.1 -1,-0.1 -260,-0.1 -2,-0.1 0.087 360.0 360.0-106.1 360.0 -23.8 12.6 -48.4